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gam_terms/
term_builder.rs

1//! Term construction: bridge from parsed formula terms to `TermCollectionSpec`.
2//!
3//! This module takes the AST produced by `inference::formula_dsl` and a loaded
4//! dataset, resolves column references, infers knot counts and center strategies,
5//! and produces a `TermCollectionSpec` ready for `build_term_collection_design`.
6
7use std::collections::{BTreeMap, BTreeSet, HashMap};
8use std::path::PathBuf;
9
10use ndarray::{Array2, ArrayView1};
11
12use crate::basis::{
13    BSplineBasisSpec, BSplineBoundaryConditions, BSplineEndpointBoundaryCondition,
14    BSplineIdentifiability, BSplineKnotSpec, CenterCountRequest, CenterStrategy,
15    ConstantCurvatureBasisSpec, ConstantCurvatureIdentifiability, DuchonBasisSpec,
16    DuchonNullspaceOrder, DuchonOperatorPenaltySpec, MaternBasisSpec, MaternIdentifiability,
17    MaternLengthScale, MaternNu, MeasureJetBasisSpec, MeasureJetIdentifiability,
18    OneDimensionalBoundary, SpatialIdentifiability, SphereMethod, SphereWahbaKernel,
19    SphericalSplineBasisSpec, SphericalSplineIdentifiability, ThinPlateBasisSpec,
20    auto_spatial_center_strategy, default_num_centers, default_spatial_center_strategy,
21    default_spherical_harmonic_degree, plan_spatial_basis, thin_plate_penalty_order,
22};
23use crate::inference::formula_dsl::{
24    ParsedTerm, SmoothKind, option_bool, option_f64, option_f64_strict, option_usize,
25    option_usize_any, option_usize_any_strict, option_usize_strict, strip_quotes,
26};
27use crate::smooth::{
28    BySmoothKind, ByVarKind, ByVariableSpec, FactorSmoothFlavour, FactorSmoothSpec,
29    LinearCoefficientGeometry, LinearTermSpec, RandomEffectTermSpec, ShapeConstraint,
30    SmoothBasisSpec, SmoothTermSpec, TensorBSplineIdentifiability,
31    TensorBSplinePenaltyDecomposition, TensorBSplineSpec, TermCollectionSpec,
32};
33use gam_data::{ColumnKindTag, DataError, EncodedDataset as Dataset};
34use gam_problem::types::ColIdx;
35use gam_runtime::resource::ResourcePolicy;
36
37/// Default B-spline degree when a smooth's `degree=` option is absent. Cubic
38/// (degree 3) is the standard GAM convention: C² continuity with a low knot
39/// count.
40const DEFAULT_BSPLINE_DEGREE: usize = 3;
41
42/// Default difference-penalty order when a smooth's `penalty_order=` (alias
43/// `m=`) option is absent. Second-order (curvature) is the standard P-spline
44/// convention.
45const DEFAULT_PENALTY_ORDER: usize = 2;
46
47/// Default basis dimension for one-dimensional cyclic cubic P-splines.
48///
49/// Periodic smooths spend no coefficients on free endpoints, so they should not
50/// inherit the larger open B-spline knot ceiling by default.  This is still only
51/// a default: callers can request a richer periodic space with `k=`.
52const CYCLIC_DEFAULT_BASIS_DIM: usize = 12;
53
54/// Default shared-marginal basis dimension for `bs="fs"`/`bs="sz"` factor smooths,
55/// matching mgcv's factor-smooth default `k=10`. A factor smooth shares one
56/// marginal across all levels; a modest basis recovers the shared signal without
57/// over-fitting each group's within-group noise (gam#903). Overridden by an
58/// explicit `k`/`basis_dim`.
59const FACTOR_SMOOTH_DEFAULT_BASIS_DIM: usize = 10;
60
61/// Default row-chunk size for the out-of-core PCA-basis smooth when the
62/// `chunk_size=` option is absent. Streams the design in row blocks to bound
63/// peak memory independent of the dataset row count.
64const DEFAULT_PCA_CHUNK_SIZE: usize = 4096;
65
66// ---------------------------------------------------------------------------
67// Typed errors
68// ---------------------------------------------------------------------------
69
70/// Typed errors emitted by term-builder helpers. `Display` reproduces the exact
71/// pre-refactor `format!(...)` text byte-for-byte, so callers that string-match
72/// on the message (tests, log assertions) keep working unchanged. Public-API
73/// functions still return `Result<_, String>` and use `.to_string()` shims at
74/// their boundary to stay compatible with callers in protected modules.
75#[derive(Clone, Debug)]
76pub enum TermBuilderError {
77    /// Column-resolution / column-kind lookup failures whose context is purely
78    /// internal (column-kind table out-of-sync, alias map missing an entry,
79    /// etc.). User-facing "this formula references a column that doesn't
80    /// exist" diagnostics use the dedicated `ColumnNotFound` variant so the
81    /// FFI boundary can lift the structured payload into a Python
82    /// `ColumnNotFoundError` without parsing prose.
83    MissingColumn { reason: String },
84    /// A formula referenced a column that is not present in the input data.
85    /// Mirrors `DataError::ColumnNotFound` field-for-field so the conversion
86    /// across module boundaries is a pure data move (no re-derivation, no
87    /// string re-parsing). Public callers see byte-identical `Display`
88    /// output to the legacy `missing_column_message` text.
89    ColumnNotFound {
90        name: String,
91        role: Option<String>,
92        available: Vec<String>,
93        similar: Vec<String>,
94        tsv_hint: bool,
95    },
96    /// User-specified configuration is internally inconsistent (e.g. too few
97    /// variables for a smooth type, conflicting size options, requested basis
98    /// dimension below the polynomial nullspace).
99    IncompatibleConfig { reason: String },
100    /// Option parsing failure: malformed numeric expression, unknown option
101    /// key, out-of-range integer, list-length mismatch, etc.
102    InvalidOption { reason: String },
103    /// User requested a feature that is intentionally not supported (unknown
104    /// smooth type / method / kernel / identifiability, non-zero anchor,
105    /// internal-only token, etc.).
106    UnsupportedFeature { reason: String },
107    /// Input data is degenerate for the requested term (constant column,
108    /// non-finite categorical entries, ...).
109    DegenerateData { reason: String },
110    /// Term-collection-stage formula error — a node that the caller was
111    /// supposed to resolve upstream reached the builder.
112    MalformedFormula { reason: String },
113}
114
115impl std::fmt::Display for TermBuilderError {
116    fn fmt(&self, f: &mut std::fmt::Formatter<'_>) -> std::fmt::Result {
117        match self {
118            TermBuilderError::MissingColumn { reason }
119            | TermBuilderError::IncompatibleConfig { reason }
120            | TermBuilderError::InvalidOption { reason }
121            | TermBuilderError::UnsupportedFeature { reason }
122            | TermBuilderError::DegenerateData { reason }
123            | TermBuilderError::MalformedFormula { reason } => f.write_str(reason),
124            // Delegate to the canonical `DataError::ColumnNotFound` formatter
125            // so a single source of truth defines the human text. The
126            // intermediate `DataError` constructed here owns its strings only
127            // for the duration of the Display call — no allocation cost
128            // beyond the original payload that this variant already holds.
129            TermBuilderError::ColumnNotFound {
130                name,
131                role,
132                available,
133                similar,
134                tsv_hint,
135            } => {
136                let canonical = DataError::ColumnNotFound {
137                    name: name.clone(),
138                    role: role.clone(),
139                    available: available.clone(),
140                    similar: similar.clone(),
141                    tsv_hint: *tsv_hint,
142                };
143                std::fmt::Display::fmt(&canonical, f)
144            }
145        }
146    }
147}
148
149impl From<TermBuilderError> for String {
150    fn from(err: TermBuilderError) -> String {
151        err.to_string()
152    }
153}
154
155/// Catchall lift for the term-builder's internal `Result<_, String>` helpers
156/// (numeric expression parsing, option lookup, boundary-condition parsing,
157/// ...) that flow into `build_termspec` via `?`. Maps to
158/// `IncompatibleConfig`, which is the most appropriate generic bucket for
159/// option/config-style failures — leaf sites that emit structured payloads
160/// (`From<DataError>` for column-not-found) bypass this fallback.
161impl From<String> for TermBuilderError {
162    fn from(reason: String) -> Self {
163        Self::IncompatibleConfig { reason }
164    }
165}
166
167/// Typed lift from data-layer errors. `DataError::ColumnNotFound` becomes
168/// `TermBuilderError::ColumnNotFound` field-for-field — no stringification,
169/// no information loss — so the FFI boundary downstream can dispatch on
170/// the typed variant. Other `DataError` variants degrade into
171/// `MissingColumn` since they describe column-resolution-time failures
172/// without a dedicated structured destination.
173impl From<DataError> for TermBuilderError {
174    fn from(err: DataError) -> Self {
175        match err {
176            DataError::ColumnNotFound {
177                name,
178                role,
179                available,
180                similar,
181                tsv_hint,
182            } => Self::ColumnNotFound {
183                name,
184                role,
185                available,
186                similar,
187                tsv_hint,
188            },
189            DataError::SchemaMismatch { reason }
190            | DataError::ParseError { reason }
191            | DataError::EncodingFailure { reason }
192            | DataError::EmptyInput { reason }
193            | DataError::InvalidValue { reason } => Self::MissingColumn { reason },
194        }
195    }
196}
197
198// Constructor helpers — keep error-site code compact and consistent.
199impl TermBuilderError {
200    #[inline]
201    fn missing_column(reason: impl Into<String>) -> Self {
202        TermBuilderError::MissingColumn {
203            reason: reason.into(),
204        }
205    }
206    #[inline]
207    fn incompatible_config(reason: impl Into<String>) -> Self {
208        TermBuilderError::IncompatibleConfig {
209            reason: reason.into(),
210        }
211    }
212    #[inline]
213    fn invalid_option(reason: impl Into<String>) -> Self {
214        TermBuilderError::InvalidOption {
215            reason: reason.into(),
216        }
217    }
218    #[inline]
219    fn unsupported_feature(reason: impl Into<String>) -> Self {
220        TermBuilderError::UnsupportedFeature {
221            reason: reason.into(),
222        }
223    }
224    #[inline]
225    fn degenerate_data(reason: impl Into<String>) -> Self {
226        TermBuilderError::DegenerateData {
227            reason: reason.into(),
228        }
229    }
230    #[inline]
231    fn malformed_formula(reason: impl Into<String>) -> Self {
232        TermBuilderError::MalformedFormula {
233            reason: reason.into(),
234        }
235    }
236}
237
238// ---------------------------------------------------------------------------
239// Column resolution
240// ---------------------------------------------------------------------------
241
242/// Resolve a bare column name to its index, returning a typed
243/// `DataError::ColumnNotFound` on miss so the FFI boundary can surface a
244/// structured `gamfit.ColumnNotFoundError(column=…, available=…)` rather
245/// than rely on string-classification of human prose. Internal callers that
246/// still flow `Result<_, String>` get byte-identical text via
247/// `From<DataError> for String`.
248pub fn resolve_col(col_map: &HashMap<String, usize>, name: &str) -> Result<usize, DataError> {
249    col_map
250        .get(name)
251        .copied()
252        .ok_or_else(|| DataError::column_not_found(col_map, name, None))
253}
254
255/// Like `resolve_col` but tags the missing-column payload with a role label
256/// (`"response"`, `"entry"`, `"exit"`, `"event"`, `"z"`, `"id"`, …) so the
257/// boundary-side Python exception can disambiguate which formula slot held
258/// the bad reference.
259pub fn resolve_role_col(
260    col_map: &HashMap<String, usize>,
261    name: &str,
262    role: &str,
263) -> Result<usize, DataError> {
264    col_map
265        .get(name)
266        .copied()
267        .ok_or_else(|| DataError::column_not_found(col_map, name, Some(role)))
268}
269
270fn encoded_levels_for_column(ds: &Dataset, col: ColIdx) -> Vec<(u64, String)> {
271    let mut seen = BTreeSet::<u64>::new();
272    for value in ds.values.column(col.get()) {
273        if value.is_finite() {
274            seen.insert(gam_data::canonical_level_bits(*value));
275        }
276    }
277    let schema_levels = ds
278        .schema
279        .columns
280        .get(col.get())
281        .map(|column| column.levels.as_slice())
282        .unwrap_or(&[]);
283    seen.into_iter()
284        .enumerate()
285        .map(|(idx, bits)| {
286            let fallback = format!("level{}", idx + 1);
287            let label = schema_levels.get(idx).cloned().unwrap_or(fallback);
288            (bits, label)
289        })
290        .collect()
291}
292
293/// Internal option key carrying the row count that n-scaling BASIS DEFAULTS
294/// (radial center counts, spatial plans) must size from. A factor-by smooth
295/// expands into per-level blocks that each see ONLY their level's rows, so
296/// sizing the default from the pooled row count over-provisions every level —
297/// measured on the #1561 by-group location-scale fixture: `s(x, bs='tp',
298/// by=group)` at n=200 (100/group) got ~50 centers PER LEVEL, an
299/// ill-conditioned 100-column mean block whose truth-recovery floor (0.111)
300/// no λ could beat, while the same smooth sized for the level's own 100 rows
301/// recovers to ~0.036. Explicit user `centers=`/`k=` bypass the default and
302/// are unaffected. Stripped at the top of [`build_smooth_basis`] like
303/// `__by_col`, so per-kind option allow-lists never see it.
304const DEFAULT_SIZING_ROWS_OPTION: &str = "__default_sizing_rows";
305
306/// The smallest per-level row count of a categorical by-column: the effective
307/// sample size each by-level smooth block actually fits. `None` when the
308/// column has no finite rows (callers fall back to the pooled count).
309fn min_categorical_by_level_rows(ds: &Dataset, by_col: usize) -> Option<usize> {
310    let mut counts: BTreeMap<u64, usize> = BTreeMap::new();
311    for value in ds.values.column(by_col) {
312        if value.is_finite() {
313            *counts
314                .entry(gam_data::canonical_level_bits(*value))
315                .or_insert(0) += 1;
316        }
317    }
318    counts.values().copied().min()
319}
320
321/// Insert [`DEFAULT_SIZING_ROWS_OPTION`] into `inner_options` when the by
322/// column is categorical (numeric-by smooths keep one shared block over all
323/// rows, so pooled sizing stays correct there).
324fn inject_by_level_sizing_rows(
325    inner_options: &mut BTreeMap<String, String>,
326    ds: &Dataset,
327    by_col: usize,
328) {
329    if matches!(
330        ds.column_kinds.get(by_col).copied(),
331        Some(ColumnKindTag::Categorical)
332    ) && let Some(min_rows) = min_categorical_by_level_rows(ds, by_col)
333    {
334        inner_options.insert(DEFAULT_SIZING_ROWS_OPTION.to_string(), min_rows.to_string());
335    }
336}
337
338pub fn column_map_with_alias(
339    col_map: &HashMap<String, usize>,
340    alias: &str,
341    target_column: &str,
342) -> HashMap<String, usize> {
343    let mut aliased = col_map.clone();
344    if let Some(idx) = col_map.get(target_column).copied() {
345        aliased.entry(alias.to_string()).or_insert(idx);
346    }
347    aliased
348}
349
350// ---------------------------------------------------------------------------
351// ParsedTerm[] + Dataset → TermCollectionSpec
352// ---------------------------------------------------------------------------
353
354pub fn build_termspec(
355    terms: &[ParsedTerm],
356    ds: &Dataset,
357    col_map: &HashMap<String, usize>,
358    inference_notes: &mut Vec<String>,
359    policy: &ResourcePolicy,
360) -> Result<TermCollectionSpec, TermBuilderError> {
361    let mut linear_terms = Vec::<LinearTermSpec>::new();
362    let mut random_terms = Vec::<RandomEffectTermSpec>::new();
363    let mut smooth_terms = Vec::<SmoothTermSpec>::new();
364    let smooth_coordinate_count = terms
365        .iter()
366        .map(|term| match term {
367            ParsedTerm::Smooth { vars, .. } => vars.len(),
368            _ => 0,
369        })
370        .sum::<usize>();
371
372    for t in terms {
373        match t {
374            ParsedTerm::Linear {
375                name,
376                explicit,
377                double_penalty,
378                coefficient_min,
379                coefficient_max,
380            } => {
381                let col = resolve_col(col_map, name)?;
382                let auto_kind = ds.column_kinds.get(col).copied().ok_or_else(|| {
383                    TermBuilderError::missing_column(format!(
384                        "internal column-kind lookup failed for '{name}'"
385                    ))
386                    .to_string()
387                })?;
388                if *explicit {
389                    linear_terms.push(LinearTermSpec {
390                        name: name.clone(),
391                        feature_col: col,
392                        feature_cols: vec![col],
393                        categorical_levels: vec![],
394                        // Parametric terms are unpenalized/MLE by default.
395                        // `double_penalty=true` is an explicit shrinkage choice
396                        // carried by the parsed term.
397                        double_penalty: *double_penalty,
398                        coefficient_geometry: LinearCoefficientGeometry::Unconstrained,
399                        coefficient_min: *coefficient_min,
400                        coefficient_max: *coefficient_max,
401                        frozen_function_mass: None,
402                    });
403                } else {
404                    match auto_kind {
405                        ColumnKindTag::Continuous | ColumnKindTag::Binary => {
406                            linear_terms.push(LinearTermSpec {
407                                name: name.clone(),
408                                feature_col: col,
409                                feature_cols: vec![col],
410                                categorical_levels: vec![],
411                                // Preserve the parser's explicit opt-in. Bare
412                                // numeric terms arrive as `false`.
413                                double_penalty: *double_penalty,
414                                coefficient_geometry: LinearCoefficientGeometry::Unconstrained,
415                                coefficient_min: *coefficient_min,
416                                coefficient_max: *coefficient_max,
417                                frozen_function_mass: None,
418                            });
419                        }
420                        ColumnKindTag::Categorical => {
421                            if coefficient_min.is_some() || coefficient_max.is_some() {
422                                return Err(TermBuilderError::incompatible_config(format!(
423                                    "coefficient constraints are not supported for categorical auto-random-effect term '{name}'; use group({name}) or an unconstrained numeric term"
424                                )));
425                            }
426                            random_terms.push(RandomEffectTermSpec {
427                                name: name.clone(),
428                                feature_col: col,
429                                drop_first_level: false,
430                                penalized: true,
431                                frozen_levels: None,
432                                // A BARE categorical main effect (`+ g`) is a FIXED
433                                // parametric factor. Although it is auto-promoted to
434                                // a penalized random block above, an *unseen* level
435                                // at predict must raise a schema mismatch rather than
436                                // be mapped to the factor's centering point (#2102).
437                                lenient_unseen: false,
438                            });
439                        }
440                    }
441                }
442            }
443            ParsedTerm::BoundedLinear {
444                name,
445                min,
446                max,
447                prior,
448                double_penalty,
449            } => {
450                let col = resolve_col(col_map, name)?;
451                let auto_kind = ds.column_kinds.get(col).copied().ok_or_else(|| {
452                    TermBuilderError::missing_column(format!(
453                        "internal column-kind lookup failed for '{name}'"
454                    ))
455                    .to_string()
456                })?;
457                if !matches!(auto_kind, ColumnKindTag::Continuous | ColumnKindTag::Binary) {
458                    return Err(TermBuilderError::incompatible_config(format!(
459                        "bounded() currently supports only numeric columns, got categorical '{name}'"
460                    )));
461                }
462                linear_terms.push(LinearTermSpec {
463                    name: name.clone(),
464                    feature_col: col,
465                    feature_cols: vec![col],
466                    categorical_levels: vec![],
467                    double_penalty: *double_penalty,
468                    coefficient_geometry: LinearCoefficientGeometry::Bounded {
469                        min: *min,
470                        max: *max,
471                        prior: prior.clone(),
472                    },
473                    coefficient_min: None,
474                    coefficient_max: None,
475                    frozen_function_mass: None,
476                });
477            }
478            ParsedTerm::RandomEffect {
479                name,
480                lenient_unseen,
481            } => {
482                let col = resolve_col(col_map, name)?;
483                random_terms.push(RandomEffectTermSpec {
484                    name: name.clone(),
485                    feature_col: col,
486                    drop_first_level: false,
487                    penalized: true,
488                    frozen_levels: None,
489                    // Unseen-level policy is fixed by the wrapper the user wrote
490                    // (`formula_dsl`): a genuine random effect
491                    // (`group(g)`/`re(g)`/`s(g, bs="re")`) shrinks a held-out
492                    // group to the population mean and so tolerates unseen
493                    // levels; a fixed `factor(g)`, like a bare `+ g` categorical
494                    // main effect, must reject an unseen level rather than
495                    // collapse onto the centering point (#2137/#2102).
496                    lenient_unseen: *lenient_unseen,
497                });
498            }
499            ParsedTerm::Smooth {
500                label,
501                vars,
502                kind,
503                options,
504            } => {
505                let smooth_vars = vars.clone();
506                let by_name = options.get("by").cloned();
507                // `bs="sz"` (sum-to-zero), like `bs="fs"`/`bs="re"`, is a
508                // factor-smooth family handled natively by `build_smooth_basis`'s
509                // fs/sz/re path: it detects the categorical factor among the
510                // variables and emits a `SmoothBasisSpec::FactorSmooth { Sz }`
511                // with the correct single-penalty marginal and modest default
512                // basis. Route sz straight through `build_smooth_basis` rather
513                // than intercepting it into a legacy `FactorSumToZero` envelope
514                // here (which left `sz(fac, x)` mis-typed as `FactorSumToZero`
515                // instead of the expected `FactorSmooth { Sz }`).
516                let cols = smooth_vars
517                    .iter()
518                    .map(|v| resolve_col(col_map, v))
519                    .collect::<Result<Vec<_>, _>>()?;
520                let mut inner_options = options.clone();
521                inner_options.remove("by");
522                // `ordered=` is consumed here (ByVarKind::Factor routing) and
523                // must not propagate to the inner basis builder, which has no
524                // allow-list entry for it and would reject it as an unknown option.
525                inner_options.remove("ordered");
526                // Pop the shape constraint before `build_smooth_basis` runs so
527                // it never reaches the per-kind `validate_known_options`
528                // allow-lists (the constraint is a property of the smooth term,
529                // not of any one basis kind). Basis-incompatible requests still
530                // fail loudly downstream via `shape_supports_basis`.
531                let shape = match inner_options.remove("shape") {
532                    None => ShapeConstraint::None,
533                    Some(raw) => crate::smooth::parse_shape_constraint(&raw)
534                        .map_err(TermBuilderError::invalid_option)?,
535                };
536                // A categorical by= expands into per-level blocks below; size
537                // the inner basis's n-scaling defaults from the smallest
538                // level's rows, not the pooled count (see
539                // `DEFAULT_SIZING_ROWS_OPTION`).
540                if let Some(by_name) = by_name.as_deref() {
541                    let by_col = resolve_col(col_map, by_name)?;
542                    inject_by_level_sizing_rows(&mut inner_options, ds, by_col);
543                }
544                let inner_basis = build_smooth_basis(
545                    *kind,
546                    &smooth_vars,
547                    &cols,
548                    &inner_options,
549                    ds,
550                    inference_notes,
551                    policy,
552                    smooth_coordinate_count,
553                )?;
554                // `bs="sz"` deliberately stays typed as `SmoothBasisSpec::FactorSmooth
555                // { Sz }` (#1403, owner-confirmed in #1887): the `FactorSumToZero`
556                // envelope is the *legacy, mis-typed* representation. `build_factor_smooth`
557                // reuses the sum-to-zero construction internally as its single source of
558                // truth for the zero-sum geometry (term_specs.rs) while keeping the
559                // freeze-consistent `FactorSmooth` metadata shape shared by fs/sz/re, so
560                // there is no reason to re-wrap the spec into the legacy envelope here —
561                // doing so (#1981) mis-typed `sz(fac, x)` back to `FactorSumToZero` and
562                // broke the refit/predict freeze path's `(FactorSmooth, …)` metadata match.
563                if let Some(by_name) = by_name {
564                    let by_col = resolve_col(col_map, &by_name)?;
565                    match ds.column_kinds.get(by_col).copied().ok_or_else(|| {
566                        format!("internal column-kind lookup failed for by variable '{by_name}'")
567                    })? {
568                        ColumnKindTag::Categorical => {
569                            let levels = encoded_levels_for_column(ds, ColIdx::new(by_col));
570                            // A penalized random block for this factor already
571                            // owns its full level offsets when EITHER an explicit
572                            // `group(factor)` appears, OR a *bare* categorical
573                            // `+ factor` does — the latter is auto-promoted to a
574                            // penalized random-effect block (see the
575                            // `ParsedTerm::Linear` / `ColumnKindTag::Categorical`
576                            // arm above, `penalized: true`). Both representations
577                            // carry the same per-level offsets, so #1457: the
578                            // `by=` branch must NOT additionally add its own
579                            // unpenalized treatment-coded main effect, which would
580                            // double-represent the factor (two `g` design blocks +
581                            // a spurious extra smoothing parameter).
582                            let penalized_group_owner_present =
583                                terms.iter().any(|other| match other {
584                                    ParsedTerm::RandomEffect { name, .. } => name == &by_name,
585                                    ParsedTerm::Linear {
586                                        name,
587                                        explicit: false,
588                                        ..
589                                    } if name == &by_name => col_map
590                                        .get(name)
591                                        .and_then(|c| ds.column_kinds.get(*c).copied())
592                                        .map(|kind| matches!(kind, ColumnKindTag::Categorical))
593                                        .unwrap_or(false),
594                                    _ => false,
595                                });
596                            // Add an unpenalized treatment-coded fixed main
597                            // effect for a standalone factor-by smooth, unless
598                            // the same factor already has an explicit
599                            // `group(factor)` term OR a bare categorical `+
600                            // factor` that was auto-promoted to a penalized
601                            // random block (#1457).  In those mixed-model forms
602                            // the penalized random intercept is the coherent
603                            // owner of level offsets; adding a no-pooling fixed
604                            // factor effect would bypass random-effect
605                            // shrinkage and degrade BLUP-style predictions.
606                            if !random_terms.iter().any(|rt| rt.name == by_name)
607                                && !penalized_group_owner_present
608                            {
609                                random_terms.push(RandomEffectTermSpec {
610                                    name: by_name.clone(),
611                                    feature_col: by_col,
612                                    drop_first_level: true,
613                                    penalized: false,
614                                    frozen_levels: None,
615                                    // Unpenalized treatment-coded FIXED factor main
616                                    // effect for a factor-by smooth: an unseen level
617                                    // is out of contract and must raise, not center
618                                    // (#2102).
619                                    lenient_unseen: false,
620                                });
621                            }
622                            // Unordered factor-by smooths are independent
623                            // level-specific smooths. Preserve that
624                            // term-spec structure explicitly so later
625                            // hierarchy/identifiability passes can see the
626                            // per-level ownership rather than a generic
627                            // BySmooth envelope.
628                            for (level_bits, level_label) in levels {
629                                smooth_terms.push(SmoothTermSpec {
630                                    name: format!("{label}:by={by_name}[{level_label}]"),
631                                    basis: SmoothBasisSpec::ByVariable {
632                                        inner: Box::new(inner_basis.clone()),
633                                        by_col,
634                                        kind: BySmoothKind::Level { level_bits },
635                                        by: ByVariableSpec::Level {
636                                            value_bits: level_bits,
637                                            label: level_label,
638                                        },
639                                    },
640                                    shape: shape.clone(),
641                                    joint_null_rotation: None,
642                                });
643                            }
644                        }
645                        ColumnKindTag::Binary | ColumnKindTag::Continuous => {
646                            smooth_terms.push(SmoothTermSpec {
647                                name: label.clone(),
648                                basis: SmoothBasisSpec::ByVariable {
649                                    inner: Box::new(inner_basis),
650                                    by_col,
651                                    kind: BySmoothKind::Numeric,
652                                    by: ByVariableSpec::Numeric,
653                                },
654                                shape,
655                                joint_null_rotation: None,
656                            });
657                        }
658                    }
659                } else {
660                    smooth_terms.push(SmoothTermSpec {
661                        name: label.clone(),
662                        basis: inner_basis,
663                        shape,
664                        joint_null_rotation: None,
665                    });
666                }
667            }
668            ParsedTerm::LinkWiggle { .. }
669            | ParsedTerm::TimeWiggle { .. }
670            | ParsedTerm::LinkConfig { .. }
671            | ParsedTerm::SurvivalConfig { .. } => {
672                // Consumed at formula level, not design terms.
673            }
674            ParsedTerm::LogSlopeSurface { .. } => {
675                return Err(TermBuilderError::malformed_formula(
676                    "logslope(...) declarations must be resolved by the marginal-slope formula path before building a term spec",
677                ));
678            }
679            ParsedTerm::Interaction {
680                vars,
681                double_penalty,
682            } => {
683                // A linear `:` interaction realizes one design column equal to
684                // the elementwise product of its operands. Numeric (continuous/
685                // binary) operands multiply directly; a categorical operand is
686                // a factor, so the product is expanded factor-aware: one design
687                // column per surviving cell of the factor(s), each an indicator
688                // `1[factor == level]` gating the numeric product.
689                //
690                // Coding is MARGINALITY-AWARE (gam#1158, gam#1159). A categorical
691                // operand `g` is treatment-coded (its lexicographically first
692                // reference level dropped) ONLY when the lower-order term obtained
693                // by removing `g` from this interaction is also present in the
694                // model — that lower-order term is what makes the dropped level
695                // identifiable, exactly mgcv's marginality rule. When that parent
696                // is ABSENT (the interaction-only form), dropping the reference
697                // level instead pins a group to the reference fit (a rank-deficient
698                // design), so we keep ALL levels (full dummy coding) and rely on a
699                // single intercept cell-drop below for identifiability:
700                //   * `y ~ x:g` with no `x` main effect → "common intercept,
701                //     separate slopes": every group keeps its own x-slope.
702                //   * `y ~ g:h` with no `g`/`h` main effects → the saturated
703                //     cell-means model: full cross of all levels minus one
704                //     reference cell absorbed by the intercept.
705                // When the parents ARE present (`x + x:g`, or `g*h` = `g + h +
706                // g:h`), the historical treatment coding is preserved so those
707                // forms stay correct.
708                //
709                // A main effect for var V is a `Linear`/`BoundedLinear`/
710                // `RandomEffect` ParsedTerm whose referenced name is V (an
711                // auto-detected categorical `Linear` becomes a RandomEffect main
712                // effect; either spelling counts). We only treat such standalone
713                // main-effect terms as parents — not V appearing inside another
714                // interaction.
715                let main_effect_present = |target: &str| -> bool {
716                    terms.iter().any(|other| match other {
717                        ParsedTerm::Linear { name, .. }
718                        | ParsedTerm::BoundedLinear { name, .. }
719                        | ParsedTerm::RandomEffect { name, .. } => name == target,
720                        _ => false,
721                    })
722                };
723                // The lower-order parent of dropping operand `drop_var` from this
724                // interaction is present iff EVERY other operand is a main effect.
725                // For the two cases we care about (`x:g`, `g:h`) the interaction
726                // has two operands, so this reduces to "is the single remaining
727                // operand a main effect"; the general form handles any arity.
728                let parent_present = |drop_var: &str| -> bool {
729                    vars.iter()
730                        .filter(|v| v.as_str() != drop_var)
731                        .all(|v| main_effect_present(v))
732                };
733
734                let mut numeric_cols = Vec::<usize>::new();
735                // Per categorical operand: (var name, col, kept levels, was the
736                // reference level dropped / treatment-coded?).
737                let mut categorical_factors =
738                    Vec::<(String, usize, Vec<(u64, String)>, bool)>::new();
739                for var in vars {
740                    let col = resolve_col(col_map, var)?;
741                    let kind = ds.column_kinds.get(col).copied().ok_or_else(|| {
742                        TermBuilderError::missing_column(format!(
743                            "internal column-kind lookup failed for '{var}'"
744                        ))
745                        .to_string()
746                    })?;
747                    match kind {
748                        ColumnKindTag::Continuous | ColumnKindTag::Binary => numeric_cols.push(col),
749                        ColumnKindTag::Categorical => {
750                            let mut levels = encoded_levels_for_column(ds, ColIdx::new(col));
751                            // Treatment-code (drop the reference level) only when
752                            // the marginal parent that identifies it is present;
753                            // otherwise keep every level (full dummy coding).
754                            let treatment_coded = parent_present(var);
755                            if treatment_coded && levels.len() > 1 {
756                                levels.remove(0);
757                            }
758                            if levels.is_empty() {
759                                return Err(TermBuilderError::incompatible_config(format!(
760                                    "interaction `{}` references categorical column `{var}` with no usable levels",
761                                    vars.join(":")
762                                )));
763                            }
764                            categorical_factors.push((var.clone(), col, levels, treatment_coded));
765                        }
766                    }
767                }
768
769                let label = vars.join(":");
770
771                if categorical_factors.is_empty() {
772                    // Pure numeric `:` interaction — single product column,
773                    // identical to the historical behaviour.
774                    linear_terms.push(LinearTermSpec {
775                        name: label,
776                        feature_col: numeric_cols[0],
777                        feature_cols: numeric_cols,
778                        categorical_levels: vec![],
779                        // Interactions are recoverable as zero by default.
780                        double_penalty: *double_penalty,
781                        coefficient_geometry: LinearCoefficientGeometry::Unconstrained,
782                        coefficient_min: None,
783                        coefficient_max: None,
784                        frozen_function_mass: None,
785                    });
786                    inference_notes.push(format!(
787                        "wired linear interaction `{}` as product of numeric columns",
788                        vars.join(":")
789                    ));
790                } else {
791                    // Factor-aware expansion: cartesian product over the kept
792                    // levels of every categorical operand. Each cell yields one
793                    // column gating the numeric product (or, with no numeric
794                    // operand, a pure cell indicator).
795                    let mut cells: Vec<Vec<(usize, u64, String)>> = vec![Vec::new()];
796                    for (_var, col, levels, _treatment_coded) in &categorical_factors {
797                        let mut next = Vec::with_capacity(cells.len() * levels.len());
798                        for cell in &cells {
799                            for (bits, level_label) in levels {
800                                let mut extended = cell.clone();
801                                extended.push((*col, *bits, level_label.clone()));
802                                next.push(extended);
803                            }
804                        }
805                        cells = next;
806                    }
807
808                    // Intercept-identifiability cell drop. When the cells are PURE
809                    // INDICATORS (no numeric operand) and at least one factor was
810                    // dummy-coded (kept all its levels), the full set of cell
811                    // columns sums to the all-ones intercept and is rank-deficient
812                    // against it. Drop exactly ONE reference cell — the cell where
813                    // every factor sits at its reference (lexicographically first)
814                    // level — so the remaining saturated cells are identifiable
815                    // (rank n_g*n_h - 1 cells + intercept). With a numeric operand
816                    // the cells gate `x` and sum to `x`, not the intercept, so no
817                    // cell is dropped (the collinearity there is with the absent
818                    // `x` main effect, which is exactly why full coding is right).
819                    let any_dummy_coded = categorical_factors
820                        .iter()
821                        .any(|(_, _, _, treatment_coded)| !*treatment_coded);
822                    if numeric_cols.is_empty() && any_dummy_coded {
823                        // The reference cell pairs each factor's column with the
824                        // bits of its lexicographically-first (index 0) level.
825                        let reference_cell: Vec<(usize, u64)> = categorical_factors
826                            .iter()
827                            .map(|(_, col, _, _)| {
828                                let levels = encoded_levels_for_column(ds, ColIdx::new(*col));
829                                (*col, levels[0].0)
830                            })
831                            .collect();
832                        cells.retain(|cell| {
833                            !reference_cell.iter().all(|(rcol, rbits)| {
834                                cell.iter()
835                                    .any(|(col, bits, _)| col == rcol && bits == rbits)
836                            })
837                        });
838                    }
839
840                    let n_cells = cells.len();
841                    for cell in cells {
842                        let cell_suffix = cell
843                            .iter()
844                            .map(|(_, _, level_label)| level_label.as_str())
845                            .collect::<Vec<_>>()
846                            .join(":");
847                        let categorical_levels =
848                            cell.iter().map(|(col, bits, _)| (*col, *bits)).collect();
849                        // `feature_col` is required to point at a real column;
850                        // use the first numeric operand when present, otherwise
851                        // the first categorical column (its raw value is never
852                        // multiplied — `realized_design_column` starts from ones
853                        // and only gates by the level indicators).
854                        let feature_col = numeric_cols
855                            .first()
856                            .copied()
857                            .unwrap_or(categorical_factors[0].1);
858                        linear_terms.push(LinearTermSpec {
859                            name: format!("{label}:{cell_suffix}"),
860                            feature_col,
861                            feature_cols: numeric_cols.clone(),
862                            categorical_levels,
863                            double_penalty: *double_penalty,
864                            coefficient_geometry: LinearCoefficientGeometry::Unconstrained,
865                            coefficient_min: None,
866                            coefficient_max: None,
867                            frozen_function_mass: None,
868                        });
869                    }
870                    let all_treatment_coded = !any_dummy_coded;
871                    let coding = if all_treatment_coded {
872                        "treatment-coded"
873                    } else {
874                        "marginality-aware (full dummy / saturated)"
875                    };
876                    inference_notes.push(format!(
877                        "wired factor-aware linear interaction `{}` as {} {} cell column(s)",
878                        vars.join(":"),
879                        n_cells,
880                        coding
881                    ));
882                }
883            }
884        }
885    }
886
887    Ok(TermCollectionSpec {
888        linear_terms,
889        random_effect_terms: random_terms,
890        smooth_terms,
891    })
892}
893
894fn split_list_option(raw: &str) -> Vec<String> {
895    let t = raw.trim();
896    // Accept the Python/JSON list form `[a, b]` AND mgcv's R-vector forms
897    // `c(a, b)` / `(a, b)` as bracketed wrappers around a comma-separated body.
898    // mgcv-style formulas pass per-margin numeric options as `k=c(5,5)` /
899    // `period=c(2*pi, pi)`; without R-vector peeling here those entries were
900    // split into `["c(5", "5)"]` and the downstream numeric parser then
901    // misreported the leading garbage as the invalid digit.
902    let inner = t
903        .strip_prefix('[')
904        .and_then(|u| u.strip_suffix(']'))
905        .or_else(|| {
906            t.strip_prefix("c(")
907                .or_else(|| t.strip_prefix("C("))
908                .or_else(|| t.strip_prefix('('))
909                .and_then(|u| u.strip_suffix(')'))
910        })
911        .unwrap_or(t);
912    inner
913        .split(',')
914        .map(|v| v.trim().to_string())
915        .filter(|v| !v.is_empty())
916        .collect()
917}
918
919fn parse_numeric_expr(raw: &str) -> Result<f64, String> {
920    let mut acc = 1.0f64;
921    let normalized = raw.replace(' ', "");
922    if normalized.eq_ignore_ascii_case("none") {
923        return Err("None is not numeric".to_string());
924    }
925    for factor in normalized.split('*') {
926        if factor.is_empty() {
927            return Err(format!("invalid numeric expression '{raw}'"));
928        }
929        let value = if factor.eq_ignore_ascii_case("pi") || factor == "π" {
930            std::f64::consts::PI
931        } else if factor.eq_ignore_ascii_case("tau") || factor == "τ" {
932            std::f64::consts::TAU
933        } else if let Some(prefix) = factor
934            .strip_suffix("pi")
935            .or_else(|| factor.strip_suffix("π"))
936        {
937            let coefficient = if prefix.is_empty() {
938                1.0
939            } else {
940                prefix
941                    .parse::<f64>()
942                    .map_err(|err| format!("invalid numeric expression '{raw}': {err}"))?
943            };
944            coefficient * std::f64::consts::PI
945        } else if let Some(prefix) = factor
946            .strip_suffix("tau")
947            .or_else(|| factor.strip_suffix("τ"))
948        {
949            let coefficient = if prefix.is_empty() {
950                1.0
951            } else {
952                prefix
953                    .parse::<f64>()
954                    .map_err(|err| format!("invalid numeric expression '{raw}': {err}"))?
955            };
956            coefficient * std::f64::consts::TAU
957        } else {
958            factor
959                .parse::<f64>()
960                .map_err(|err| format!("invalid numeric expression '{raw}': {err}"))?
961        };
962        acc *= value;
963    }
964    Ok(acc)
965}
966
967/// Read an endpoint/period option as a numeric *expression* (`2*pi`, `tau`,
968/// `0.5*tau`, `6.283185307179586`, ...) — the same grammar that `period=` and
969/// `origin=` already accept via [`parse_numeric_expr`].
970///
971/// Returns `Ok(None)` when the key is absent, `Ok(Some(v))` when it parses, and
972/// a hard `Err` when the key is *present but unparseable*. The crucial contrast
973/// is with the lenient [`option_f64`], which collapses an unparseable value to
974/// `None` and lets the caller silently substitute the data range — wrapping a
975/// cyclic smooth at the wrong period with no diagnostic (the #815 failure mode).
976fn option_numeric_expr(
977    options: &BTreeMap<String, String>,
978    key: &str,
979) -> Result<Option<f64>, String> {
980    match options.get(key) {
981        None => Ok(None),
982        Some(raw) => parse_numeric_expr(raw)
983            .map(Some)
984            .map_err(|err| format!("option `{key}={raw}` is not a valid numeric value: {err}")),
985    }
986}
987
988fn parse_periods_option(
989    options: &BTreeMap<String, String>,
990    dim: usize,
991) -> Result<Option<Vec<Option<f64>>>, String> {
992    let Some(raw) = options.get("period") else {
993        return Ok(None);
994    };
995    let values = split_list_option(raw);
996    let mut periods = vec![None; dim];
997    if values.len() == 1 && dim == 1 {
998        periods[0] = Some(parse_numeric_expr(&values[0])?);
999    } else {
1000        if values.len() != dim {
1001            return Err(format!(
1002                "period list length {} must match smooth dimension {}",
1003                values.len(),
1004                dim
1005            ));
1006        }
1007        for (i, v) in values.iter().enumerate() {
1008            if v.eq_ignore_ascii_case("none") {
1009                continue;
1010            }
1011            periods[i] = Some(parse_numeric_expr(v)?);
1012        }
1013    }
1014    Ok(Some(periods))
1015}
1016
1017fn parse_periodic_axes_option(
1018    options: &BTreeMap<String, String>,
1019    dim: usize,
1020) -> Result<Option<Vec<Option<f64>>>, String> {
1021    let Some(raw_axes) = options.get("periodic") else {
1022        return Ok(None);
1023    };
1024    let mut periods = parse_periods_option(options, dim)?.unwrap_or_else(|| vec![None; dim]);
1025    // Scalar boolean form (`periodic=true` / `false`, `yes` / `no`) applies to
1026    // every axis — the documented per-axis-flag broadcast (see the doc on
1027    // `parse_periodic_axes`, the tensor sibling that already accepts it). A
1028    // 1-D `duchon(x, periodic=true)` lands here: the cyclic *domain* is then
1029    // resolved from the data range by `parse_cyclic_boundary` (the 1-D builder
1030    // consults `boundary` first), so a finite explicit period is NOT required —
1031    // we only need to NOT mis-read "true" as an axis index (#1074). `false`
1032    // means no axis is periodic.
1033    let lowered = raw_axes.trim().to_ascii_lowercase();
1034    match lowered.as_str() {
1035        "true" | "yes" | "y" => return Ok(Some(periods)),
1036        // `false` means NO axis is periodic. Return `None` — NOT
1037        // `Some(vec![None; dim])` — because the radial 1-D consumer treats a
1038        // `Some([None])` as "periodicity requested, derive the wrap period from
1039        // the data range" (see the Duchon builder arm below, which back-fills
1040        // `axes[0] = data_span` for a lone `None`) and the 1-D builder routes on
1041        // `spec.periodic.is_some()`. Emitting `Some([None])` here therefore
1042        // silently produced a *periodic* smooth for an explicit `periodic=false`
1043        // — the exact regression this arm now avoids, matching the bracketed
1044        // `[false]` form handled by the per-axis boolean block below.
1045        "false" | "no" | "n" => return Ok(None),
1046        _ => {}
1047    }
1048    let axes = split_list_option(raw_axes);
1049    if axes.is_empty() {
1050        return Ok(Some(periods));
1051    }
1052
1053    // Boolean forms `periodic=true` / `periodic=[true, false, ...]`, mirroring
1054    // `parse_tensor_periodic_axes`. The radial 1-D builders (`duchon`/`tps`/
1055    // `matern`) intentionally DERIVE the wrap period from the closed center
1056    // lattice when none is supplied (`prepare_periodic_duchon_centers_1d_with_period`,
1057    // gam#580: `None => span`), so a boolean-selected periodic axis legitimately
1058    // omits `period`. Without this branch, `duchon(x, periodic=true)`-style
1059    // radial formulas failed with the misleading "invalid periodic axis 'true'".
1060    let is_bool = |t: &str| {
1061        matches!(
1062            t.to_ascii_lowercase().as_str(),
1063            "true" | "yes" | "y" | "false" | "no" | "n"
1064        )
1065    };
1066    let is_truthy = |t: &str| matches!(t.to_ascii_lowercase().as_str(), "true" | "yes" | "y");
1067
1068    // Scalar boolean: `periodic=true` / `periodic=false`.
1069    if axes.len() == 1 && is_bool(&axes[0]) {
1070        if !is_truthy(&axes[0]) {
1071            // Non-periodic: return None so the 1-D builder (which routes on
1072            // `spec.periodic.is_some()`) does NOT take the periodic path.
1073            return Ok(None);
1074        }
1075        // Every axis periodic; honor any explicit per-axis period, else leave
1076        // `None` for the caller (formula arm) / builder to derive the span.
1077        return Ok(Some(periods));
1078    }
1079
1080    // Per-axis boolean list: `periodic=[true, false, ...]` (length must match dim).
1081    if axes.iter().all(|a| is_bool(a)) {
1082        if axes.len() != dim {
1083            return Err(format!(
1084                "periodic flag list length {} must match smooth dimension {dim}",
1085                axes.len()
1086            ));
1087        }
1088        if !axes.iter().any(|a| is_truthy(a)) {
1089            return Ok(None);
1090        }
1091        for (i, a) in axes.iter().enumerate() {
1092            if !is_truthy(a) {
1093                periods[i] = None;
1094            }
1095        }
1096        return Ok(Some(periods));
1097    }
1098
1099    // Index-list form: `periodic=[0, 2]`. Each listed axis must carry an
1100    // explicit finite period — an index gives no per-axis span-derive hint.
1101    for a in &axes {
1102        let axis = a
1103            .parse::<usize>()
1104            .map_err(|err| format!("invalid periodic axis '{a}': {err}"))?;
1105        if axis >= dim {
1106            return Err(format!(
1107                "periodic axis {axis} out of range for {dim}D smooth"
1108            ));
1109        }
1110        if periods[axis].is_none() {
1111            return Err(format!(
1112                "periodic axis {axis} requires period[{axis}] to be finite"
1113            ));
1114        }
1115    }
1116    // Axes not listed are non-periodic even if period list has a finite placeholder.
1117    let listed: std::collections::BTreeSet<usize> = axes
1118        .iter()
1119        .filter_map(|a| a.parse::<usize>().ok())
1120        .collect();
1121    for i in 0..dim {
1122        if !listed.contains(&i) {
1123            periods[i] = None;
1124        }
1125    }
1126    Ok(Some(periods))
1127}
1128
1129// ---------------------------------------------------------------------------
1130// Smooth basis spec construction
1131// ---------------------------------------------------------------------------
1132
1133fn parse_option_list(raw: &str) -> Vec<String> {
1134    let trimmed = raw.trim();
1135    // Accept both the Python/JSON list form `[a, b]` and mgcv's R vector form
1136    // `c(a, b)` (and a bare `(a, b)`) as the bracketed wrapper around a
1137    // comma-separated option list. mgcv writes per-margin options as
1138    // `bs=c('tp','tp')` / `m=c(2,2)`, so the `c(...)` form must round-trip
1139    // through the same splitter the `[...]` form uses.
1140    let inner = trimmed
1141        .strip_prefix('[')
1142        .and_then(|v| v.strip_suffix(']'))
1143        .or_else(|| {
1144            trimmed
1145                .strip_prefix("c(")
1146                .or_else(|| trimmed.strip_prefix("C("))
1147                .or_else(|| trimmed.strip_prefix('('))
1148                .and_then(|v| v.strip_suffix(')'))
1149        })
1150        .unwrap_or(trimmed);
1151    inner
1152        .split(',')
1153        .map(|v| {
1154            v.trim()
1155                .trim_matches('"')
1156                .trim_matches('\'')
1157                .to_ascii_lowercase()
1158        })
1159        .filter(|v| !v.is_empty())
1160        .collect()
1161}
1162
1163fn parse_periodic_axes(
1164    options: &BTreeMap<String, String>,
1165    dim: usize,
1166) -> Result<Vec<bool>, String> {
1167    let mut axes = vec![false; dim];
1168    if let Some(raw) = options.get("periodic").or_else(|| options.get("cyclic")) {
1169        let lowered = raw.trim().to_ascii_lowercase();
1170        match lowered.as_str() {
1171            "true" | "yes" | "y" => {
1172                axes.fill(true);
1173                return Ok(axes);
1174            }
1175            "false" | "no" | "n" => return Ok(axes),
1176            _ => {}
1177        }
1178        for axis_raw in parse_option_list(raw) {
1179            let axis = axis_raw
1180                .parse::<usize>()
1181                .map_err(|err| format!("invalid periodic axis '{axis_raw}': {err}"))?;
1182            if axis >= dim {
1183                return Err(format!(
1184                    "periodic axis {axis} out of range for {dim}D smooth"
1185                ));
1186            }
1187            axes[axis] = true;
1188        }
1189    }
1190    if let Some(raw) = options.get("boundary").or_else(|| options.get("bc")) {
1191        let boundary = parse_option_list(raw);
1192        if boundary.len() == dim {
1193            for (axis, value) in boundary.iter().enumerate() {
1194                if matches!(value.as_str(), "periodic" | "cyclic" | "cc") {
1195                    axes[axis] = true;
1196                }
1197            }
1198        } else if dim == 1
1199            && matches!(
1200                boundary.first().map(String::as_str),
1201                Some("periodic" | "cyclic" | "cc")
1202            )
1203        {
1204            axes[0] = true;
1205        }
1206    }
1207    Ok(axes)
1208}
1209
1210fn parse_optional_numeric_list(
1211    options: &BTreeMap<String, String>,
1212    keys: &[&str],
1213    dim: usize,
1214) -> Result<Vec<Option<f64>>, String> {
1215    let Some(raw) = keys.iter().find_map(|key| options.get(*key)) else {
1216        return Ok(vec![None; dim]);
1217    };
1218    let values = split_list_option(raw);
1219    let mut out = vec![None; dim];
1220    if values.len() == 1 && dim == 1 {
1221        if !values[0].eq_ignore_ascii_case("none") {
1222            out[0] = Some(parse_numeric_expr(&values[0])?);
1223        }
1224        return Ok(out);
1225    }
1226    if values.len() != dim {
1227        return Err(format!(
1228            "numeric option list length {} must match smooth dimension {}",
1229            values.len(),
1230            dim
1231        ));
1232    }
1233    for (i, value) in values.iter().enumerate() {
1234        if !value.eq_ignore_ascii_case("none") {
1235            out[i] = Some(parse_numeric_expr(value)?);
1236        }
1237    }
1238    Ok(out)
1239}
1240
1241fn parse_periods(
1242    options: &BTreeMap<String, String>,
1243    periodic_axes: &[bool],
1244) -> Result<Vec<Option<f64>>, String> {
1245    let dim = periodic_axes.len();
1246    // Broadcast a single-element `period=[v]` onto the lone periodic axis
1247    // of a multi-axis smooth (e.g. `te(th, h, bc=['periodic','natural'],
1248    // period=[2*pi])`): with only one periodic margin, the value can only
1249    // belong there.
1250    let lone_periodic_broadcast = options
1251        .get("period")
1252        .or_else(|| options.get("periods"))
1253        .and_then(|raw| {
1254            let values = split_list_option(raw);
1255            if values.len() != 1 || dim <= 1 {
1256                return None;
1257            }
1258            let mut iter = periodic_axes.iter().enumerate().filter(|(_, p)| **p);
1259            let first = iter.next()?;
1260            if iter.next().is_some() {
1261                return None;
1262            }
1263            Some((first.0, values.into_iter().next().unwrap()))
1264        });
1265    let periods = if let Some((axis, value)) = lone_periodic_broadcast {
1266        let mut out = vec![None; dim];
1267        if !value.eq_ignore_ascii_case("none") {
1268            out[axis] = Some(parse_numeric_expr(&value)?);
1269        }
1270        out
1271    } else {
1272        parse_optional_numeric_list(options, &["period", "periods"], dim)?
1273    };
1274    for (axis, (periodic, period)) in periodic_axes.iter().zip(periods.iter()).enumerate() {
1275        if *periodic
1276            && let Some(value) = period
1277            && (!value.is_finite() || *value <= 0.0)
1278        {
1279            return Err(format!(
1280                "period for periodic axis {axis} must be finite and positive, got {value}"
1281            ));
1282        }
1283    }
1284    Ok(periods)
1285}
1286
1287fn parse_period_origins(
1288    options: &BTreeMap<String, String>,
1289    periodic_axes: &[bool],
1290) -> Result<Vec<Option<f64>>, String> {
1291    parse_optional_numeric_list(
1292        options,
1293        &[
1294            "origin",
1295            "origins",
1296            "period_origin",
1297            "period-origin",
1298            "domain_origin",
1299        ],
1300        periodic_axes.len(),
1301    )
1302}
1303
1304/// Parse a per-axis periodic flag list for tensor smooths. Accepts three forms:
1305/// - `periodic=true` / `periodic=false` (scalar applied to every axis),
1306/// - `periodic=[true, false, ...]` (one flag per axis, length `dim`),
1307/// - `periodic=c(1, 1)` / `c(0, 0)` (a length-`dim` 0/1 mask, mgcv's
1308///   per-margin spelling — distinguished from an axis-index list by the
1309///   repeated 0/1 value), and
1310/// - `periodic=[0, 2, ...]` (axis indices that are periodic; others are not).
1311///
1312/// `boundary=[..., "periodic"/"cyclic"/"cc", ...]` may also flip individual
1313/// axes on; non-matching tokens leave the existing flag unchanged.
1314fn parse_tensor_periodic_axes(
1315    options: &BTreeMap<String, String>,
1316    dim: usize,
1317) -> Result<Vec<bool>, String> {
1318    let mut axes = vec![false; dim];
1319    if let Some(raw) = options.get("periodic").or_else(|| options.get("cyclic")) {
1320        let lowered = raw.trim().to_ascii_lowercase();
1321        match lowered.as_str() {
1322            "true" | "yes" | "y" => {
1323                axes.fill(true);
1324            }
1325            "false" | "no" | "n" => {
1326                // Already false; allow `boundary=` below to flip axes if set.
1327            }
1328            _ => {
1329                let entries = parse_option_list(raw);
1330                let all_bool = !entries.is_empty()
1331                    && entries.iter().all(|v| {
1332                        matches!(
1333                            v.as_str(),
1334                            "true" | "yes" | "y" | "false" | "no" | "n" | "none"
1335                        )
1336                    });
1337                // mgcv writes per-margin flag vectors as `periodic=c(1,1)` /
1338                // `periodic=c(0,0)` — a length-`dim` mask where each entry is a
1339                // 0/1 flag for THAT margin, not an axis index. A bare axis-index
1340                // list (`periodic=[0,1]`, `periodic=[0]`) lists DISTINCT margin
1341                // indices to turn on. The two collide only when the list is all
1342                // 0/1 of length `dim`; disambiguate by the repeated-value
1343                // signature `c(1,1)`/`c(0,0)` (a valid axis-index set never
1344                // repeats an index), which is the canonical mask spelling. This
1345                // is what makes the leading tensor margin honor its periodic flag
1346                // (#1751: `periodic=c(1,1)` previously parsed `1,1` as axis
1347                // indices, marking only axis 1 and dropping axis 0).
1348                let all_zero_one =
1349                    !entries.is_empty() && entries.iter().all(|v| v == "0" || v == "1");
1350                let has_repeat = {
1351                    let mut seen = std::collections::BTreeSet::new();
1352                    !entries.iter().all(|v| seen.insert(v.clone()))
1353                };
1354                let numeric_mask = all_zero_one && entries.len() == dim && has_repeat;
1355                if all_bool || numeric_mask {
1356                    if entries.len() != dim {
1357                        return Err(format!(
1358                            "periodic list length {} must match smooth dimension {}",
1359                            entries.len(),
1360                            dim
1361                        ));
1362                    }
1363                    for (i, v) in entries.iter().enumerate() {
1364                        axes[i] = matches!(v.as_str(), "true" | "yes" | "y" | "1");
1365                    }
1366                } else {
1367                    for axis_raw in entries {
1368                        let axis = axis_raw
1369                            .parse::<usize>()
1370                            .map_err(|err| format!("invalid periodic axis '{axis_raw}': {err}"))?;
1371                        if axis >= dim {
1372                            return Err(format!(
1373                                "periodic axis {axis} out of range for {dim}D smooth"
1374                            ));
1375                        }
1376                        axes[axis] = true;
1377                    }
1378                }
1379            }
1380        }
1381    }
1382    if let Some(raw) = options.get("boundary").or_else(|| options.get("bc")) {
1383        let boundary = parse_option_list(raw);
1384        if boundary.len() == dim {
1385            for (axis, value) in boundary.iter().enumerate() {
1386                if matches!(value.as_str(), "periodic" | "cyclic" | "cc") {
1387                    axes[axis] = true;
1388                }
1389            }
1390        }
1391    }
1392    // A per-margin basis vector (`bs=c('cc','ps')` / `type=[...]`) declares each
1393    // margin's basis family, and a cyclic family (`cc`/`cp`/`cyclic`) makes THAT
1394    // margin periodic — exactly as the 1-D `s(x, bs='cc')` smooth wraps its lone
1395    // axis. Without this, the per-margin `cc` token was validated but discarded:
1396    // every `bs=c(...)` spelling collapsed to the same open B-spline tensor
1397    // (#1752). Only honor the vector form here; a scalar `bs='cc'` on a tensor is
1398    // ambiguous about which margins wrap, so it does not flip any axis on.
1399    if let Some(raw) = options.get("bs").or_else(|| options.get("type"))
1400        && bs_selector_is_vector(raw)
1401    {
1402        let per_margin = parse_option_list(raw);
1403        if per_margin.len() == dim {
1404            for (axis, margin_bs) in per_margin.iter().enumerate() {
1405                if matches!(canonicalize_smooth_type(margin_bs), "cc" | "cp" | "cyclic") {
1406                    axes[axis] = true;
1407                }
1408            }
1409        }
1410    }
1411    Ok(axes)
1412}
1413
1414/// Validate the per-margin `boundary=`/`bc=` tokens on a tensor-product smooth.
1415///
1416/// The tensor `boundary`/`bc` list selects, per margin, whether the margin
1417/// *wraps* (a `periodic`/`cyclic`/`cc` token, consumed by
1418/// [`parse_tensor_periodic_axes`]) or is an ordinary non-periodic margin. In the
1419/// tensor DSL a *non-periodic* margin is spelled `clamped` — in the B-spline
1420/// sense of a **clamped knot vector**, i.e. the standard open spline that is
1421/// free at its two ends and does not wrap (exactly how the callers document it:
1422/// "non-periodic / clamped … free at the two ends, no wrap"). It is therefore an
1423/// inert marker here, not a zero-derivative endpoint reparameterization: a
1424/// cylinder `te(theta, z, boundary=['periodic','clamped'], …)` is a cyclic θ
1425/// margin tensor-producted with an ordinary open z margin, the direct analog of
1426/// mgcv `te(bs=c("cc","ps"))` / `te(bs=c("cc","cr"))`.
1427///
1428/// The periodic selectors and the inert non-periodic markers
1429/// (`clamped`/`open`/`natural`/`free`/`none`/empty) are accepted; anything else
1430/// (e.g. a genuine `anchored` zero-value endpoint constraint, which has no
1431/// ordinary-margin meaning in a tensor) is surfaced as a clean
1432/// unsupported-feature error rather than silently dropped. Previously `clamped`
1433/// itself was rejected, so the cylinder/torus mixed-boundary tensors — the exact
1434/// construction the manifold quality suite builds — could not be fit at all.
1435fn validate_tensor_boundary_tokens(
1436    options: &BTreeMap<String, String>,
1437    dim: usize,
1438) -> Result<(), String> {
1439    let Some(raw) = options.get("boundary").or_else(|| options.get("bc")) else {
1440        return Ok(());
1441    };
1442    let entries = parse_option_list(raw);
1443    for (axis, value) in entries.iter().enumerate() {
1444        let inert = matches!(
1445            value.trim().to_ascii_lowercase().as_str(),
1446            "clamped" | "open" | "natural" | "free" | "none" | "" | "periodic" | "cyclic" | "cc"
1447        );
1448        if !inert {
1449            return Err(TermBuilderError::unsupported_feature(format!(
1450                "tensor smooth margin {axis} boundary token '{value}' is not supported \
1451                 (got bc/boundary={raw:?} on a {dim}-D tensor); tensor margins accept the periodic \
1452                 selectors (periodic/cyclic/cc) or the non-periodic markers (clamped/open/natural/free). \
1453                 Apply anchored/zero-value endpoint constraints with a 1-D s(x, bc=...) term instead."
1454            ))
1455            .to_string());
1456        }
1457    }
1458    Ok(())
1459}
1460
1461fn tensor_k_axis_option_axis(
1462    key: &str,
1463    cols: &[usize],
1464    ds: &Dataset,
1465) -> Result<Option<usize>, String> {
1466    let Some(suffix) = key.strip_prefix("k_") else {
1467        return Ok(None);
1468    };
1469    if suffix.is_empty() {
1470        return Err("tensor k axis option must be named k_<axis> or k_<variable>".to_string());
1471    }
1472    if let Ok(axis) = suffix.parse::<usize>() {
1473        return if axis < cols.len() {
1474            Ok(Some(axis))
1475        } else {
1476            Err(format!(
1477                "tensor k axis option `{key}` references axis {axis}, but the smooth has {} margins",
1478                cols.len()
1479            ))
1480        };
1481    }
1482
1483    let mut matches = cols
1484        .iter()
1485        .enumerate()
1486        .filter(|(_, col)| ds.headers.get(**col).is_some_and(|name| name == suffix))
1487        .map(|(axis, _)| axis);
1488    let first = matches.next();
1489    if matches.next().is_some() {
1490        return Err(format!(
1491            "tensor k axis option `{key}` matches more than one margin named `{suffix}`"
1492        ));
1493    }
1494    first.map(Some).ok_or_else(|| {
1495        let margin_names = cols
1496            .iter()
1497            .enumerate()
1498            .map(|(axis, col)| {
1499                let name = ds
1500                    .headers
1501                    .get(*col)
1502                    .map(String::as_str)
1503                    .unwrap_or("<unnamed>");
1504                format!("{axis}:{name}")
1505            })
1506            .collect::<Vec<_>>()
1507            .join(", ");
1508        format!(
1509            "tensor k axis option `{key}` does not match a margin index or name; tensor margins are [{margin_names}]"
1510        )
1511    })
1512}
1513
1514fn is_tensor_k_axis_option_key(key: &str) -> bool {
1515    key.strip_prefix("k_")
1516        .is_some_and(|suffix| !suffix.is_empty())
1517}
1518
1519/// Parse a per-margin basis dimension list (`k=<scalar>`, `k=[k0, k1, ...]`,
1520/// or axis aliases like `k_x=...` / `k_0=...`). A scalar is broadcast across
1521/// all axes; `None` returns the heuristic from the data column.
1522fn parse_tensor_k_list(
1523    options: &BTreeMap<String, String>,
1524    cols: &[usize],
1525    ds: &Dataset,
1526) -> Result<(Vec<usize>, bool), String> {
1527    let mut axis_values = vec![None; cols.len()];
1528    let mut saw_axis_alias = false;
1529    for (key, value) in options {
1530        let Some(axis) = tensor_k_axis_option_axis(key, cols, ds)? else {
1531            continue;
1532        };
1533        saw_axis_alias = true;
1534        if axis_values[axis].is_some() {
1535            return Err(format!("tensor k axis {axis} is specified more than once"));
1536        }
1537        let k: usize = value
1538            .parse()
1539            .map_err(|err| format!("invalid tensor k option `{key}={value}`: {err}"))?;
1540        axis_values[axis] = Some(k);
1541    }
1542
1543    let raw = options
1544        .get("k")
1545        .or_else(|| options.get("basis_dim"))
1546        .or_else(|| options.get("basis-dim"))
1547        .or_else(|| options.get("basisdim"));
1548    if saw_axis_alias {
1549        if raw.is_some() {
1550            return Err(
1551                "tensor k axis aliases cannot be combined with k= or basis_dim=".to_string(),
1552            );
1553        }
1554        if let Some(missing_axis) = axis_values.iter().position(Option::is_none) {
1555            let margin_name = cols
1556                .get(missing_axis)
1557                .and_then(|col| ds.headers.get(*col))
1558                .map(String::as_str)
1559                .unwrap_or("<unnamed>");
1560            return Err(format!(
1561                "tensor k axis aliases must specify every margin; missing axis {missing_axis} ({margin_name})"
1562            ));
1563        }
1564        return Ok((
1565            axis_values
1566                .into_iter()
1567                .map(|k| k.expect("missing axis values rejected above"))
1568                .collect(),
1569            false,
1570        ));
1571    }
1572    let Some(raw) = raw else {
1573        let inferred = heuristic_tensor_margin_knots(cols, ds);
1574        return Ok((inferred, true));
1575    };
1576    let entries = split_list_option(raw);
1577    if entries.len() == 1 {
1578        let k: usize = entries[0]
1579            .parse()
1580            .map_err(|err| format!("invalid tensor k '{}': {err}", entries[0]))?;
1581        return Ok((vec![k; cols.len()], false));
1582    }
1583    if entries.len() != cols.len() {
1584        return Err(format!(
1585            "tensor k list length {} must match smooth dimension {}",
1586            entries.len(),
1587            cols.len()
1588        ));
1589    }
1590    let mut out = Vec::with_capacity(entries.len());
1591    for entry in entries {
1592        let k: usize = entry
1593            .parse()
1594            .map_err(|err| format!("invalid tensor k '{entry}': {err}"))?;
1595        out.push(k);
1596    }
1597    Ok((out, false))
1598}
1599
1600/// Parse the `identifiability=` option for tensor-product smooths. Mirrors the
1601/// vocabulary of the Matern/Duchon parsers so the formula DSL is consistent.
1602///
1603/// `kind` selects the default identifiability when no explicit
1604/// `identifiability=` option is supplied: `te(...)` ([`SmoothKind::Te`]) keeps
1605/// the full-tensor sum-to-zero default, while `ti(...)` ([`SmoothKind::Ti`])
1606/// defaults to per-margin sum-to-zero so the marginal main effects are excluded
1607/// (the mgcv tensor-interaction semantics). An explicit option always wins.
1608fn parse_tensor_identifiability(
1609    options: &BTreeMap<String, String>,
1610    kind: SmoothKind,
1611) -> Result<TensorBSplineIdentifiability, String> {
1612    let Some(raw) = options.get("identifiability").map(String::as_str) else {
1613        return Ok(match kind {
1614            SmoothKind::Ti => TensorBSplineIdentifiability::MarginalSumToZero,
1615            _ => TensorBSplineIdentifiability::default(),
1616        });
1617    };
1618    match raw.trim().to_ascii_lowercase().as_str() {
1619        "none" => Ok(TensorBSplineIdentifiability::None),
1620        "sum_tozero" | "sum-to-zero" | "center_sum_tozero" | "center-sum-to-zero" | "centered"
1621        | "sumtozero" => Ok(TensorBSplineIdentifiability::SumToZero),
1622        "marginal_sum_tozero" | "marginal-sum-to-zero" | "marginal_sumtozero"
1623        | "marginalsumtozero" | "interaction" => {
1624            Ok(TensorBSplineIdentifiability::MarginalSumToZero)
1625        }
1626        other => Err(TermBuilderError::unsupported_feature(format!(
1627            "invalid tensor identifiability '{other}'; expected one of: none, sum_tozero, marginal_sum_tozero"
1628        ))
1629        .to_string()),
1630    }
1631}
1632
1633fn bspline_boundary_declares_periodic_axis(options: &BTreeMap<String, String>) -> bool {
1634    options
1635        .get("boundary")
1636        .or_else(|| options.get("bc"))
1637        .map(|raw| {
1638            parse_option_list(raw)
1639                .into_iter()
1640                .any(|value| matches!(value.as_str(), "periodic" | "cyclic" | "cc"))
1641        })
1642        .unwrap_or(false)
1643}
1644
1645/// Canonical-name lookup for the `bs=`/`type=` smooth selector.
1646///
1647/// User-facing names — including mgcv-compatible spellings whose semantics
1648/// match an existing gamfit smooth exactly — collapse to the engine-internal
1649/// canonical names used by the dispatch in [`build_smooth_basis`]. Adding a
1650/// new exactly-equivalent alias is a one-line entry here; the match arms
1651/// below remain the single dispatch site.
1652///
1653/// Aliases listed here MUST be true semantic equivalents of the canonical
1654/// target, not approximations. mgcv names whose semantics differ from any
1655/// gamfit smooth (e.g. `bs="ts"` shrinkage thin-plate, `bs="ad"` adaptive)
1656/// are intentionally NOT mapped here — they should reach the unsupported-type
1657/// path so users get a real diagnostic instead of a silent semantic
1658/// substitution. mgcv's `bs="cr"`/`"cs"` (cubic regression and its shrinkage
1659/// twin) are handled directly in the [`build_smooth_basis`] dispatch — they
1660/// are not aliased here because the `cr`/`cs` distinction controls a default
1661/// (`double_penalty`) that the canonical-name layer cannot see.
1662///
1663/// Unrecognised inputs pass through unchanged so the dispatch can produce its
1664/// usual "unsupported smooth type" error, preserving the existing diagnostic
1665/// surface for genuine typos.
1666pub(crate) fn canonicalize_smooth_type(raw: &str) -> &str {
1667    match raw {
1668        // Thin-plate spline. mgcv `bs="tp"` is the default thin-plate
1669        // regression spline — exact semantic equivalent of gamfit's `"tps"`.
1670        "tp" => "tps",
1671        // Gaussian process / Matérn. mgcv `bs="gp"` defaults to a Matérn
1672        // covariance kernel with REML smoothing parameter selection, which
1673        // matches gamfit's `"matern"` exactly (same kernel-Gram identity,
1674        // same REML route).
1675        "gp" => "matern",
1676        // Constant-curvature (M_κ) geodesic-kernel smooth (#944). All aliases
1677        // collapse to one canonical type so `bs="curv"`/`bs="mkappa"` cannot
1678        // diverge from `curv(...)`.
1679        "curv" | "constant_curvature" | "mkappa" => "curvature",
1680        // Measure-jet spline: multiscale local-jet-residual energy of the
1681        // empirical measure. No mgcv equivalent (mgcv has no measure-learned
1682        // geometry smooth), so no mgcv alias is mapped.
1683        "mjs" | "measure_jet" | "web" => "measurejet",
1684        other => other,
1685    }
1686}
1687
1688/// Is `margin_bs` a per-margin basis name that the tensor builder realizes as a
1689/// penalized 1-D B-spline margin?
1690///
1691/// gam's tensor product is built from penalized B-spline marginals. mgcv's
1692/// thin-plate (`tp`/`tps`), P-spline (`ps`), B-spline (`bs`), cubic-regression
1693/// (`cr`/`cs`), and cyclic (`cc`/`cp`/`cyclic`) marginals are all penalized
1694/// splines spanning the same per-axis smoothing space, so a B-spline margin
1695/// reproduces the same tensor smoothing class. Margin kinds with fundamentally
1696/// different structure (adaptive, random-effect, sphere) are NOT accepted as
1697/// tensor margins.
1698pub(crate) fn tensor_margin_bs_is_supported(margin_bs: &str) -> bool {
1699    matches!(
1700        canonicalize_smooth_type(margin_bs),
1701        "tps" | "ps" | "bs" | "bspline" | "cr" | "cs" | "cc" | "cp" | "cyclic"
1702    )
1703}
1704
1705/// Does the smooth request a periodic/cyclic axis via its options?
1706///
1707/// Mirrors the boundary-condition reading used by the periodic-aware dispatch
1708/// branches. Factored out so the type resolver and `build_smooth_basis` agree
1709/// on a single notion of "periodic requested".
1710pub(crate) fn smooth_options_declare_periodic(options: &BTreeMap<String, String>) -> bool {
1711    options.contains_key("periodic")
1712        || options.contains_key("cyclic")
1713        || options
1714            .get("boundary")
1715            .or_else(|| options.get("bc"))
1716            .map(|boundary| {
1717                boundary.to_ascii_lowercase().contains("periodic")
1718                    || boundary.to_ascii_lowercase().contains("cyclic")
1719            })
1720            .unwrap_or(false)
1721}
1722
1723/// Resolve the canonical engine-internal smooth-type name for a term.
1724///
1725/// Reads the user-facing `type=`/`bs=` selector and collapses mgcv-compatible
1726/// aliases (`tp`→`tps`, `gp`→`matern`) via [`canonicalize_smooth_type`], or
1727/// derives the default from the smooth kind/arity when no selector is given.
1728/// This is the single source of truth for the dispatch in
1729/// [`build_smooth_basis`]; other call sites (e.g. predictor-specific basis
1730/// policy) use it so the classification never drifts from the dispatch.
1731/// Is the raw `bs=`/`type=` selector a vector literal (`c('tp','tp')`,
1732/// `['tp','tp']`, `(tp, tp)`) rather than a scalar smooth-type name?
1733///
1734/// mgcv's tensor smooths take a *per-margin* basis vector
1735/// (`te(x1, x2, bs=c('tp','tp'))`). Such a value is not a scalar canonical
1736/// type and must not be fed through [`canonicalize_smooth_type`] — it has to be
1737/// recognized as a tensor request and split into per-margin types. A scalar
1738/// selector (`bs="tp"`) is left untouched.
1739pub(crate) fn bs_selector_is_vector(raw: &str) -> bool {
1740    let trimmed = raw.trim();
1741    let bracketed = (trimmed.starts_with('[') && trimmed.ends_with(']'))
1742        || (trimmed.starts_with("c(") || trimmed.starts_with("C(")) && trimmed.ends_with(')')
1743        || (trimmed.starts_with('(') && trimmed.ends_with(')'));
1744    bracketed && !parse_option_list(trimmed).is_empty()
1745}
1746
1747pub fn resolve_smooth_type_name(
1748    kind: SmoothKind,
1749    n_cols: usize,
1750    options: &BTreeMap<String, String>,
1751) -> String {
1752    let selector = options.get("type").or_else(|| options.get("bs"));
1753    // A per-margin basis vector is a tensor request, never a scalar type. Route
1754    // it to the tensor builder, which reads the per-margin types out of the
1755    // same `bs=` option. (A vector on a non-tensor smooth is ill-formed and
1756    // falls through to the scalar path below so the existing diagnostic fires.)
1757    if let Some(raw) = selector
1758        && bs_selector_is_vector(raw)
1759        && matches!(kind, SmoothKind::Te | SmoothKind::Ti | SmoothKind::T2)
1760    {
1761        return "tensor".to_string();
1762    }
1763    selector
1764        .map(|s| canonicalize_smooth_type(&s.to_ascii_lowercase()).to_string())
1765        .unwrap_or_else(|| match kind {
1766            SmoothKind::Te | SmoothKind::Ti | SmoothKind::T2 => "tensor".to_string(),
1767            SmoothKind::S if n_cols == 1 => "bspline".to_string(),
1768            // Mixed periodic Euclidean radial kernels are not separable on the
1769            // cylinder. Use a tensor product with a cyclic margin so s(theta,h)
1770            // honors seam continuity while preserving the formula-level s(...).
1771            SmoothKind::S if smooth_options_declare_periodic(options) => "tensor".to_string(),
1772            SmoothKind::S => "tps".to_string(),
1773        })
1774}
1775
1776/// Does this canonical smooth type size its basis through the generous spatial
1777/// center heuristic ([`crate::basis::default_num_centers`])?
1778///
1779/// Only the radial spatial bases (thin-plate, Matérn/GP, Duchon) route their
1780/// default basis dimension through `plan_spatial_basis(.., Default, ..)`. The
1781/// B-spline, cyclic, tensor, and factor-smooth bases use their own modest
1782/// knot-based defaults, so they are unaffected by — and must not be perturbed
1783/// by — secondary-predictor basis-parsimony adjustments (#501).
1784pub fn smooth_type_uses_spatial_center_heuristic(canonical_type: &str) -> bool {
1785    matches!(canonical_type, "tps" | "matern" | "duchon")
1786}
1787
1788pub fn build_smooth_basis(
1789    kind: SmoothKind,
1790    vars: &[String],
1791    cols: &[usize],
1792    options: &BTreeMap<String, String>,
1793    ds: &Dataset,
1794    inference_notes: &mut Vec<String>,
1795    policy: &ResourcePolicy,
1796    smooth_coordinate_count: usize,
1797) -> Result<SmoothBasisSpec, String> {
1798    // Strip the internal by-level sizing carrier before any per-kind option
1799    // allow-list runs (the `__by_col` pattern): `sizing_rows` feeds every
1800    // n-scaling BASIS DEFAULT below; explicit user counts are untouched.
1801    let stripped_sizing_options;
1802    let (options, sizing_rows) = match options.get(DEFAULT_SIZING_ROWS_OPTION) {
1803        Some(raw) => {
1804            let rows = raw.parse::<usize>().map_err(|_| {
1805                format!("internal by-level sizing rows carrier is not a count: '{raw}'")
1806            })?;
1807            let mut cleaned = options.clone();
1808            cleaned.remove(DEFAULT_SIZING_ROWS_OPTION);
1809            stripped_sizing_options = cleaned;
1810            (&stripped_sizing_options, rows)
1811        }
1812        None => (options, ds.values.nrows()),
1813    };
1814    // Fail fast on degenerate input: a smooth whose (non-categorical) coordinate
1815    // columns collapse to a SINGLE distinct point can only ever fit the response
1816    // mean — its design matrix is rank-1. For a UNIVARIATE smooth this is exactly
1817    // "the one column is constant": `smooth(x)`/`matern(x)` on constant `x` would
1818    // otherwise silently fit the mean of `y` with no visible cue (Duchon already
1819    // errors loudly via the basis layer; this makes the diagnosis explicit and
1820    // uniform). For a general MULTIVARIATE Euclidean smooth (tensor, tps,
1821    // matern, ...) a single constant coordinate is NOT degenerate — the basis
1822    // still varies along the other coordinate(s) and the penalty absorbs the
1823    // rank-deficient direction (a constant-`x2` slice of `tps(x1, x2)` is a
1824    // well-posed 1-D function of `x1`). Such a term is degenerate only when
1825    // EVERY coordinate is constant at once, i.e. the joint input is a single
1826    // point. Test the JOINT cardinality, not each column independently, so the
1827    // loud diagnosis still fires for the genuinely rank-1 case without rejecting
1828    // well-posed lower-dimensional slices.
1829    //
1830    // The SPHERE/SOS term is the exception (handled separately just below): its
1831    // spherical-harmonic / Wahba basis is intrinsically a function of BOTH
1832    // angular coordinates, so a constant latitude or longitude is not an honest
1833    // lower-D slice but an unidentifiable axis (every point on a single meridian
1834    // or parallel) — that case is rejected per-coordinate.
1835    let coord_cols: Vec<(&String, usize)> = vars
1836        .iter()
1837        .zip(cols.iter().copied())
1838        .filter(|(_, col)| !matches!(ds.column_kinds.get(*col), Some(ColumnKindTag::Categorical)))
1839        .collect();
1840    if !coord_cols.is_empty() {
1841        let views: Vec<ArrayView1<'_, f64>> = coord_cols
1842            .iter()
1843            .map(|(_, col)| ds.values.column(*col))
1844            .collect();
1845        let n_rows = views[0].len();
1846        let mut distinct_points = std::collections::HashSet::<Vec<u64>>::new();
1847        for r in 0..n_rows {
1848            let key: Vec<u64> = views
1849                .iter()
1850                .map(|v| gam_data::canonical_level_bits(v[r]))
1851                .collect();
1852            distinct_points.insert(key);
1853            if distinct_points.len() > 1 {
1854                break;
1855            }
1856        }
1857        if distinct_points.len() <= 1 {
1858            return Err(TermBuilderError::degenerate_data(if coord_cols.len() == 1 {
1859                let var = coord_cols[0].0;
1860                format!(
1861                    "smooth term over '{var}' has only one unique value in the training data \
1862                     — a smooth on a constant column is degenerate and would only fit the response mean. \
1863                     Remove `{var}` from the smooth, drop the term, or check the data."
1864                )
1865            } else {
1866                let names = coord_cols
1867                    .iter()
1868                    .map(|(v, _)| v.as_str())
1869                    .collect::<Vec<_>>()
1870                    .join(", ");
1871                format!(
1872                    "smooth term over ({names}) has only one unique joint coordinate in the training \
1873                     data — every coordinate is constant, so the smooth is degenerate and would only \
1874                     fit the response mean. Drop the term or check the data."
1875                )
1876            })
1877            .to_string());
1878        }
1879
1880        // Sphere/SOS exception: the S² smooth is intrinsically a function of
1881        // BOTH angular coordinates, so a single constant axis is unidentifiable
1882        // (every point on one meridian or one parallel), not an honest 1-D
1883        // slice. Reject it per-coordinate at fit-time with a coordinate-named
1884        // error. This runs ONLY during term construction (build_smooth_basis);
1885        // predict rebuilds the design from the frozen resolvedspec and never
1886        // re-enters this path, so a constant predict grid (e.g. a single query
1887        // point on a fixed meridian) is never re-validated (#frozen-mass).
1888        if matches!(
1889            resolve_smooth_type_name(kind, cols.len(), options).as_str(),
1890            "sphere" | "s2" | "sos"
1891        ) {
1892            for (axis, (var, col)) in coord_cols.iter().enumerate() {
1893                let column = ds.values.column(*col);
1894                let mut distinct = std::collections::HashSet::<u64>::new();
1895                for &value in column.iter() {
1896                    distinct.insert(gam_data::canonical_level_bits(value));
1897                    if distinct.len() > 1 {
1898                        break;
1899                    }
1900                }
1901                if distinct.len() <= 1 {
1902                    // Axis 0 is latitude, axis 1 longitude (formula order
1903                    // `sphere(lat, lon)`); name the collapsed slice accordingly.
1904                    let slice = if axis == 0 {
1905                        "a single parallel (constant latitude)"
1906                    } else {
1907                        "a single meridian (constant longitude)"
1908                    };
1909                    return Err(TermBuilderError::degenerate_data(format!(
1910                        "sphere smooth has a constant '{var}' column — every point lies on \
1911                         {slice}, so the 2-sphere term is degenerate and unidentifiable along \
1912                         that axis. A spherical smooth needs genuine variation in BOTH latitude \
1913                         and longitude; vary '{var}', drop the term, or fit a 1-D smooth on the \
1914                         varying coordinate."
1915                    ))
1916                    .to_string());
1917                }
1918            }
1919        }
1920    }
1921    if let Some(by_name) = options.get("by").cloned() {
1922        let by_col = options
1923            .get("__by_col")
1924            .and_then(|raw| raw.parse::<usize>().ok())
1925            .or_else(|| vars.iter().position(|v| v == &by_name).map(|idx| cols[idx]))
1926            .ok_or_else(|| format!("unknown by= column '{by_name}'"))?;
1927        let mut inner_options = options.clone();
1928        inner_options.remove("by");
1929        inner_options.remove("__by_col");
1930        inner_options.remove("id");
1931        // Size the inner basis's n-scaling defaults from the smallest
1932        // by-level's rows (see `DEFAULT_SIZING_ROWS_OPTION`); numeric-by
1933        // smooths keep pooled sizing.
1934        inject_by_level_sizing_rows(&mut inner_options, ds, by_col);
1935        let inner = build_smooth_basis(
1936            kind,
1937            vars,
1938            cols,
1939            &inner_options,
1940            ds,
1941            inference_notes,
1942            policy,
1943            smooth_coordinate_count,
1944        )?;
1945        let by_kind = match ds.column_kinds.get(by_col).copied() {
1946            Some(ColumnKindTag::Categorical) => ByVarKind::Factor {
1947                feature_col: by_col,
1948                ordered: option_bool(options, "ordered").unwrap_or(false),
1949                frozen_levels: None,
1950            },
1951            Some(ColumnKindTag::Continuous | ColumnKindTag::Binary) => ByVarKind::Numeric {
1952                feature_col: by_col,
1953            },
1954            None => {
1955                return Err(format!(
1956                    "internal column-kind lookup failed for by='{by_name}'"
1957                ));
1958            }
1959        };
1960        return Ok(SmoothBasisSpec::BySmooth {
1961            smooth: Box::new(inner),
1962            by_kind,
1963        });
1964    }
1965
1966    let smooth_double_penalty = option_bool(options, "double_penalty").unwrap_or(true);
1967    let type_opt = resolve_smooth_type_name(kind, cols.len(), options);
1968
1969    if matches!(type_opt.as_str(), "fs" | "sz" | "re") {
1970        validate_known_options(
1971            type_opt.as_str(),
1972            options,
1973            &[
1974                "type",
1975                "bs",
1976                "k",
1977                "basis_dim",
1978                "basis-dim",
1979                "basisdim",
1980                "knots",
1981                "knot_placement",
1982                "knot-placement",
1983                "knotplacement",
1984                "degree",
1985                "penalty_order",
1986                "m",
1987                "double_penalty",
1988                "ordered",
1989            ],
1990        )?;
1991        if cols.len() != 2 {
1992            return Err(format!(
1993                "{} factor-smooth currently expects exactly two variables (one numeric, one categorical)",
1994                type_opt
1995            ));
1996        }
1997        let kinds = cols
1998            .iter()
1999            .map(|&c| ds.column_kinds.get(c).copied())
2000            .collect::<Vec<_>>();
2001        let (cont_idx, group_idx) = if type_opt == "re" {
2002            // mgcv random-slope examples are often s(g, x, bs="re").
2003            match (kinds[0], kinds[1]) {
2004                (Some(ColumnKindTag::Categorical), _) => (1usize, 0usize),
2005                (_, Some(ColumnKindTag::Categorical)) => (0usize, 1usize),
2006                _ => (1usize, 0usize),
2007            }
2008        } else {
2009            match (kinds[0], kinds[1]) {
2010                (_, Some(ColumnKindTag::Categorical)) => (0usize, 1usize),
2011                (Some(ColumnKindTag::Categorical), _) => (1usize, 0usize),
2012                _ => {
2013                    return Err(format!(
2014                        "{} factor-smooth requires one categorical factor variable",
2015                        type_opt
2016                    ));
2017                }
2018            }
2019        };
2020        let c = cols[cont_idx];
2021        let (minv, maxv) = col_minmax(ds.values.column(c))?;
2022        let degree = if type_opt == "re" {
2023            1
2024        } else {
2025            option_usize(options, "degree").unwrap_or(DEFAULT_BSPLINE_DEGREE)
2026        };
2027        // For a factor smooth every group's curve is fit from THAT group's rows
2028        // alone, so the marginal's flexibility must respect the least-resolved
2029        // group, not the pooled column. The pooled heuristic can hand the marginal
2030        // a basis that saturates (or exceeds) a small group's sample — e.g. the
2031        // sleepstudy panel has 8 training days per subject, and a default cubic
2032        // basis of 8 functions interpolates each subject's 8 points, leaving no
2033        // room for the wiggliness penalty to collapse the curve toward the
2034        // per-subject line. The factor smooth then fits within-group noise and
2035        // extrapolates badly (held-out forecast worse than the population mean).
2036        //
2037        // Cap the marginal basis below the minimum per-group covariate resolution
2038        // so the penalty always retains residual degrees of freedom to shrink each
2039        // group's curvature toward its linear null space (the random-slope
2040        // estimand). This small-group cap composes with a separate upper bound at
2041        // mgcv's factor-smooth default k=10 (FACTOR_SMOOTH_DEFAULT_BASIS_DIM,
2042        // applied below), so even ample-data groups get the modest SHARED marginal
2043        // a factor smooth wants rather than the full pooled basis. The explicit
2044        // `re` random-effect form takes neither cap: it is a raw linear `[1, x]`
2045        // random effect (0 internal knots), handled in the branch above.
2046        let pooled_internal = heuristic_knots_for_column(ds.values.column(c));
2047        let default_internal = if type_opt == "re" {
2048            // `bs="re"` is a PARAMETRIC random effect, not a smooth of the
2049            // covariate: `s(x, g, bs="re")` is the mgcv random intercept+slope
2050            // `(1 + x | g)`, i.e. a per-group line `[1, x]`, penalized by an iid
2051            // ridge. A degree-1 marginal with ZERO internal knots spans exactly
2052            // that linear space (2 coefficients per group). Using the pooled
2053            // knot heuristic here instead turned the marginal into a
2054            // piecewise-linear B-spline (e.g. 6 functions/group on sleepstudy),
2055            // i.e. a *smooth* with kinks rather than a random slope — many extra
2056            // collinear-across-levels coefficients that ill-condition the joint
2057            // Newton/REML solve (minutes-long fits, and a singular block when
2058            // combined with a separate random intercept `s(g, bs="re")`). The
2059            // raw linear basis is both the correct `re` semantics and fast.
2060            0
2061        } else {
2062            let min_group_resolution =
2063                min_per_group_unique_count(ds.values.column(c), ds.values.column(cols[group_idx]));
2064            // Per-group basis dim = degree + 1 + internal. Hold it well below the
2065            // smallest group's resolution (leave at least two residual points per
2066            // group) so the smooth cannot interpolate that group and the
2067            // wiggliness penalty retains the room to collapse each curve toward
2068            // its linear null space. Never drop below `degree + 2`, which keeps
2069            // exactly the linear span plus a single curvature direction — the
2070            // minimal smoother that can still bend if the data demand it.
2071            let basis_cap = min_group_resolution.saturating_sub(2).max(degree + 2);
2072            let internal_cap = basis_cap.saturating_sub(degree + 1);
2073            let capped = pooled_internal.min(internal_cap.max(1));
2074            // A factor smooth (`fs` AND `sz`) shares ONE marginal across ALL
2075            // levels, each level's curve fit from that group's rows alone. The
2076            // pooled knot heuristic (driven by the full column's sample) hands it
2077            // a much richer basis than the shared signal needs — ~24
2078            // functions/group on the gam#903 factor-smooth-recovery fixtures — so
2079            // REML has the capacity to fit within-group noise and over-fits the
2080            // shared shape (fs: edf 58 vs mgcv's k=10/edf 39; sz: gam 0.068 vs
2081            // mgcv 0.046 truth RMSE), losing the truth-recovery head-to-head with
2082            // the mature tool. mgcv's factor-smooth default `k=10` embodies the
2083            // right convention: a modest shared marginal. Cap the marginal there
2084            // (basis ≈ degree+1+internal ≈ 10) for both flavours when the
2085            // small-group cap above is not already tighter, so REML is not handed
2086            // noise-fitting capacity it does not need. An explicit `k`/`basis_dim`
2087            // overrides this (parse_ps_internal_knots); `re` is the raw linear
2088            // effect handled above.
2089            let fs_default_internal = FACTOR_SMOOTH_DEFAULT_BASIS_DIM
2090                .saturating_sub(degree + 1)
2091                .max(1);
2092            capped.min(fs_default_internal)
2093        };
2094        let (n_knots, _, effective_degree) =
2095            parse_ps_internal_knots(options, degree, default_internal)?;
2096        let penalty_order = option_usize(options, "penalty_order")
2097            .unwrap_or(if effective_degree > 1 { 2 } else { 1 })
2098            .min(effective_degree);
2099        // All factor-smooth flavours (`fs`, `sz`, `re`) place their per-level
2100        // marginal on the SAME penalized B-spline (P-spline) basis. The flavours
2101        // differ ONLY in their penalty/constraint structure (handled below) —
2102        // sz: zero-sum deviation blocks with the per-level null space left
2103        // unpenalized; fs: random-effect double penalty; re: identity ridge.
2104        //
2105        // `sz` USED to route its default-degree marginal to a NATURAL cubic
2106        // regression spline (`cr`), on the belief that mgcv's `bs="sz"` does the
2107        // same and that cr recovers smooth signals more efficiently than the
2108        // (then uncapped) B-spline margin (#1074). That introduced a consistency
2109        // failure (#1605): the `cr` basis enforces the natural boundary
2110        // conditions f''(x_1)=f''(x_k)=0 and extrapolates linearly past the end
2111        // knots, so it CANNOT represent a per-group deviation curve with non-zero
2112        // curvature at the data boundary. Phase-shifted deviation shapes
2113        // (f''(0) = -(2π)² sin(φ) ≠ 0) are then biased toward "free linear +
2114        // anchored wiggle", under-shooting the amplitude — a bias that does NOT
2115        // vanish as n→∞ (n-independent: a genuine consistency failure, not
2116        // finite-sample shrinkage). The earlier #700/#1074 sz fixtures used
2117        // d_g ∝ sin(2πx), whose f'' happens to vanish at x=0 and x=1, so they
2118        // accidentally satisfied the natural BC and never exposed the gap; the
2119        // `fs` sibling, on this very B-spline marginal, recovers the SAME
2120        // phase-shifted data to the noise floor.
2121        //
2122        // The penalized B-spline marginal makes no boundary assumption, so it
2123        // represents arbitrary deviation shapes, and — with the
2124        // FACTOR_SMOOTH_DEFAULT_BASIS_DIM cap above already removing the
2125        // noise-fitting capacity that originally motivated leaving B-splines —
2126        // it recovers the BC-satisfying #700/#1074 signals just as well. Sharing
2127        // one marginal basis across all flavours also lets the B-spline degree/
2128        // knot degradation handle low-cardinality covariates uniformly (what
2129        // `fs` already does), so the `sz`-only cr data-support cap (#1541/#1542)
2130        // — and the asymmetry where only the cr-marginal `sz` spelling hard-
2131        // failed a 3-level ordinal — is no longer needed.
2132        let marginal_knotspec = resolve_nonperiodic_bspline_knotspec(
2133            options,
2134            ds.values.column(c),
2135            (minv, maxv),
2136            effective_degree,
2137            n_knots,
2138        )?;
2139        let marginal = BSplineBasisSpec {
2140            degree: effective_degree,
2141            penalty_order,
2142            knotspec: marginal_knotspec,
2143            // mgcv's `bs="fs"` is a random-effect-style smooth: EVERY per-level
2144            // coefficient, including the marginal null space, is penalized so
2145            // unobserved groups can be predicted — so `fs` keeps the null-space
2146            // (double) penalty. mgcv's `bs="sz"` is a pure across-level
2147            // *deviation* smooth that, under the default `select=FALSE`, leaves
2148            // the per-level null space UNPENALIZED; carrying the double penalty
2149            // there shrinks the genuine deviation signal and over-smooths the
2150            // recovered curves relative to mgcv (gam#700). `re` carries its own
2151            // identity ridge below and ignores this flag. Honour an explicit
2152            // user `double_penalty=` either way.
2153            double_penalty: option_bool(options, "double_penalty")
2154                .unwrap_or(type_opt.as_str() != "sz"),
2155            identifiability: BSplineIdentifiability::None,
2156            boundary_conditions: Default::default(),
2157            boundary: OneDimensionalBoundary::Open,
2158        };
2159        let flavour = match type_opt.as_str() {
2160            "fs" => FactorSmoothFlavour::Fs {
2161                m_null_penalty_orders: vec![
2162                    option_usize(options, "m").unwrap_or(DEFAULT_PENALTY_ORDER),
2163                ],
2164            },
2165            "sz" => FactorSmoothFlavour::Sz,
2166            "re" => FactorSmoothFlavour::Re,
2167            // Outer `matches!` already restricts to fs/sz/re.
2168            other => {
2169                return Err(format!(
2170                    "internal: factor-smooth flavour dispatch reached unexpected type `{}`",
2171                    other
2172                ));
2173            }
2174        };
2175        return Ok(SmoothBasisSpec::FactorSmooth {
2176            spec: FactorSmoothSpec {
2177                continuous_cols: vec![c],
2178                group_col: cols[group_idx],
2179                marginal,
2180                flavour,
2181                group_frozen_levels: None,
2182                frozen_global_orthogonality: None,
2183            },
2184        });
2185    }
2186
2187    match type_opt.as_str() {
2188        // `periodic` is the generic spelling for a periodic (wrap-continuous)
2189        // B-spline; it names the SAME `SmoothBasisSpec::BSpline1D {
2190        // PeriodicUniform }` the mgcv-style cyclic selectors (`cc`/`cp`/`cyclic`)
2191        // build, and is already recognized as that basis kind by the JSON /
2192        // override path (`smooth_overrides`) and accepted by the formula parser.
2193        // Route it through the cyclic arm so the formula path agrees with the
2194        // rest of the codebase instead of rejecting it as an unsupported type.
2195        "cyclic" | "cc" | "cp" | "cyclic-ps" | "periodic" => {
2196            validate_known_options(
2197                "cyclic",
2198                options,
2199                &[
2200                    "type",
2201                    "bs",
2202                    "by",
2203                    "k",
2204                    "basis_dim",
2205                    "basis-dim",
2206                    "basisdim",
2207                    "degree",
2208                    "penalty_order",
2209                    "period",
2210                    "periods",
2211                    "period_start",
2212                    "period_end",
2213                    "start",
2214                    "end",
2215                    "origin",
2216                    "origins",
2217                    "period_origin",
2218                    "period-origin",
2219                    "domain_origin",
2220                    "double_penalty",
2221                    "id",
2222                    "__by_col",
2223                    "identifiability",
2224                ],
2225            )?;
2226            if cols.len() != 1 {
2227                return Err(format!(
2228                    "periodic smooth expects one variable, got {}",
2229                    cols.len()
2230                ));
2231            }
2232            let c = cols[0];
2233            let (minv, maxv) = col_minmax(ds.values.column(c))?;
2234            let degree = option_usize(options, "degree").unwrap_or(DEFAULT_BSPLINE_DEGREE);
2235            let mut default_internal = heuristic_knots_for_column(ds.values.column(c));
2236            if ds.values.nrows() <= 32 && smooth_coordinate_count >= 5 {
2237                default_internal = default_internal.min(1);
2238            }
2239            // A periodic cubic spline has no free endpoint behaviour to spend
2240            // degrees of freedom on: the wrap constraint removes the ordinary
2241            // boundary wiggle, and the cyclic second-difference penalty leaves
2242            // only the constant direction (handled by the smooth
2243            // identifiability constraint).  An over-rich default would give
2244            // small binomial/continuation-ratio fits a large penalized nuisance
2245            // space whose REML/LAML optimum is driven by finite-sample Bernoulli
2246            // noise rather than the low-frequency periodic signal.  Cap the
2247            // cyclic default in the mgcv `bs="cc"` spirit: a modest basis unless
2248            // the caller explicitly requests `k=...`; high-frequency periodic
2249            // structure remains available through that explicit contract.  Since
2250            // gam#1680 lowered the open-spline univariate default to ≈12
2251            // functions this cap and the open-spline default coincide, so it now
2252            // acts as an explicit floor/guard that keeps the cyclic default lean
2253            // even if the open-spline heuristic is later widened.
2254            let cyclic_default_basis_cap = CYCLIC_DEFAULT_BASIS_DIM.max(degree + 1);
2255            let default_basis = (default_internal + degree + 1).min(cyclic_default_basis_cap);
2256            let num_basis = option_usize_any(options, &["k", "basis_dim", "basis-dim", "basisdim"])
2257                .unwrap_or(default_basis);
2258            if num_basis < degree + 1 {
2259                return Err(format!(
2260                    "periodic smooth: k={} too small for degree {}; expected k >= {}",
2261                    num_basis,
2262                    degree,
2263                    degree + 1
2264                ));
2265            }
2266            // The cyclic arm is periodic on its single axis by construction, so
2267            // resolve the period exactly the way the `s()`/`ps` arm does: honour
2268            // `period=`/`periods=` first (with `origin=` setting the domain
2269            // start), and fall back to the `period_start`/`period_end` endpoint
2270            // form only when `period=` is absent. Previously this arm jumped
2271            // straight to `parse_periodic_domain_1d`, so a `period=<v>`
2272            // declaration was silently dropped and the smooth wrapped at the
2273            // data range (#816). All three helpers route through
2274            // `parse_numeric_expr`, so `period=2*pi` and `period_end=2*pi` parse
2275            // identically (#815).
2276            let periodic_axes = [true];
2277            let periods = parse_periods(options, &periodic_axes)?;
2278            let origins = parse_period_origins(options, &periodic_axes)?;
2279            // Distinguish a *cyclic basis selector* (`bs='cc'`/`cp'`/`cyclic`,
2280            // this whole arm) from a generic B-spline forced periodic by a
2281            // `periodic=`/`boundary=` flag (the `ps`/`bspline` arm). Only the
2282            // latter carries the sample-dependent off-by-ε seam that #1771's
2283            // guard in `parse_periodic_domain_1d` requires an explicit period
2284            // to avoid. A bare `s(x, bs='cc')` opts INTO mgcv's `bs="cc"`
2285            // semantics — the wrap IS the observed data range — exactly like
2286            // the tensor cc-margin fallback (`te(x, z, bs=c('cc','cc'))`). The
2287            // cyclic arm was left routing through the now-strict helper when
2288            // #1771 tightened it, so a bare cyclic smooth hard-errored with
2289            // "periodic B-spline smooth requires an explicit period" even
2290            // though its period is well-defined. Honor `period=`/`periods=`
2291            // first, then the half-open `period_start`/`period_end` endpoint
2292            // form, and only otherwise wrap at the observed `[min, max]` span.
2293            let has_endpoint_decl = ["period_start", "start", "period_end", "end"]
2294                .iter()
2295                .any(|key| options.contains_key(*key));
2296            let (domain_start, period) = if let Some(p) = periods[0] {
2297                (origins[0].unwrap_or(minv), p)
2298            } else if has_endpoint_decl {
2299                parse_periodic_domain_1d(options, minv, maxv)?
2300            } else {
2301                let span = maxv - minv;
2302                if !(span.is_finite() && span > 0.0) {
2303                    return Err(format!(
2304                        "cyclic smooth requires a positive observed data range to derive \
2305                         its period, got [{minv}, {maxv}]"
2306                    ));
2307                }
2308                (origins[0].unwrap_or(minv), span)
2309            };
2310            Ok(SmoothBasisSpec::BSpline1D {
2311                feature_col: c,
2312                spec: BSplineBasisSpec {
2313                    degree,
2314                    penalty_order: option_usize(options, "penalty_order")
2315                        .unwrap_or(DEFAULT_PENALTY_ORDER),
2316                    knotspec: BSplineKnotSpec::PeriodicUniform {
2317                        data_range: (domain_start, domain_start + period),
2318                        num_basis,
2319                    },
2320                    double_penalty: smooth_double_penalty,
2321                    identifiability: BSplineIdentifiability::default(),
2322                    boundary_conditions: Default::default(),
2323                    boundary: OneDimensionalBoundary::Cyclic {
2324                        start: domain_start,
2325                        end: domain_start + period,
2326                    },
2327                },
2328            })
2329        }
2330        "bspline" | "ps" | "p-spline" | "cr" | "cs" => {
2331            // mgcv's `bs="cr"` (cubic regression spline) and `bs="cs"` (its
2332            // shrinkage twin) are penalized cubic-regression smooths that span
2333            // the same per-axis function space as gamfit's `bspline` (cubic
2334            // B-spline, second-derivative penalty). Route both through the
2335            // 1-D B-spline arm. Both recover unsupported null-space effects by
2336            // default; `double_penalty=false` is the explicit unpenalized
2337            // opt-out. Without this route, a stand-alone
2338            // `s(x, bs='cr')` (which is otherwise a routine 1-D smooth in
2339            // mgcv-compatible formulae) reached the dispatch's default arm
2340            // and aborted the whole fit with `unsupported smooth type 'cr'`,
2341            // even though the same name was already recognized as a tensor
2342            // margin (`tensor_margin_bs_is_supported`).
2343            let validation_name = match type_opt.as_str() {
2344                "cr" => "cr",
2345                "cs" => "cs",
2346                _ => "bspline",
2347            };
2348            validate_known_options(
2349                validation_name,
2350                options,
2351                &[
2352                    "type",
2353                    "bs",
2354                    "by",
2355                    "k",
2356                    "basis_dim",
2357                    "basis-dim",
2358                    "basisdim",
2359                    "knots",
2360                    "knot_placement",
2361                    "knot-placement",
2362                    "knotplacement",
2363                    "degree",
2364                    "penalty_order",
2365                    "boundary",
2366                    "bc",
2367                    "boundary_conditions",
2368                    "bc_left",
2369                    "bc_right",
2370                    "left_bc",
2371                    "right_bc",
2372                    "start_bc",
2373                    "end_bc",
2374                    "side",
2375                    "anchor",
2376                    "anchor_value",
2377                    "value",
2378                    "anchor_left",
2379                    "left_anchor",
2380                    "anchor_right",
2381                    "right_anchor",
2382                    "periodic",
2383                    "period",
2384                    "periods",
2385                    "period_start",
2386                    "period_end",
2387                    "origin",
2388                    "double_penalty",
2389                    "by",
2390                    "id",
2391                    "__by_col",
2392                    "identifiability",
2393                    "by",
2394                ],
2395            )?;
2396            if cols.len() != 1 {
2397                return Err(TermBuilderError::incompatible_config(format!(
2398                    "bspline smooth expects one variable, got {}",
2399                    cols.len()
2400                ))
2401                .to_string());
2402            }
2403            let c = cols[0];
2404            let (minv, maxv) = col_minmax(ds.values.column(c))?;
2405            let degree = option_usize(options, "degree").unwrap_or(DEFAULT_BSPLINE_DEGREE);
2406            let default_internal = heuristic_knots_for_column(ds.values.column(c));
2407            let (mut n_knots, inferred, effective_degree) =
2408                parse_ps_internal_knots(options, degree, default_internal)?;
2409            let periodic_axes = parse_periodic_axes(options, 1).map_err(|e| e.to_string())?;
2410            // Periodic margins still need enough basis functions to wrap, so
2411            // surface the per-axis degree reduction as a config error when the
2412            // user explicitly asked for a periodic-but-too-small basis. The
2413            // non-periodic path silently degrades degree to match mgcv.
2414            if periodic_axes[0] && effective_degree != degree {
2415                return Err(TermBuilderError::invalid_option(format!(
2416                    "periodic smooth: k={} too small for degree {}; expected k >= {}",
2417                    effective_degree + 1,
2418                    degree,
2419                    degree + 1
2420                ))
2421                .to_string());
2422            }
2423            if inferred && ds.values.nrows() <= 32 && smooth_coordinate_count >= 5 {
2424                n_knots = n_knots.min(1);
2425            }
2426            if inferred {
2427                let unique = unique_count_column(ds.values.column(c));
2428                let ceiling = ((unique as f64).cbrt() as usize).max(20);
2429                inference_notes.push(format!(
2430                    "Automatically set {} internal knots for smooth '{}' from {} unique values (rule: clamp(unique/4, 4..max(20, cbrt(unique))) = clamp(unique/4, 4..{})). Override with knots=... or k=....",
2431                    n_knots,
2432                    vars.join(","),
2433                    unique,
2434                    ceiling,
2435                ));
2436            }
2437            let boundary_conditions =
2438                if periodic_axes[0] && bspline_boundary_declares_periodic_axis(options) {
2439                    BSplineBoundaryConditions::default()
2440                } else {
2441                    parse_bspline_boundary_conditions(options).map_err(|e| e.to_string())?
2442                };
2443            // An anchored endpoint (one *or* both sides) is already the model's
2444            // level-setting gauge: term-design construction suppresses the
2445            // global intercept so the fitted function itself, rather than only a
2446            // centered deviation, obeys the endpoint pin. Applying the ordinary
2447            // sum-to-zero chart as well would force the entire anchored function
2448            // to have sample mean zero. In #1867 that made a positive one-sided
2449            // anchored bump mathematically unrecoverable before REML was even
2450            // evaluated; for a two-sided anchor it additionally strips the
2451            // interior level the two pins bracket (#2297).
2452            let identifiability = if boundary_conditions.has_anchor() {
2453                BSplineIdentifiability::None
2454            } else {
2455                BSplineIdentifiability::default()
2456            };
2457            let periods = parse_periods(options, &periodic_axes).map_err(|e| e.to_string())?;
2458            let origins =
2459                parse_period_origins(options, &periodic_axes).map_err(|e| e.to_string())?;
2460            let (knotspec, boundary) = if periodic_axes[0] {
2461                if !boundary_conditions.is_free() {
2462                    return Err(TermBuilderError::incompatible_config(
2463                        "periodic B-splines cannot also declare endpoint boundary conditions",
2464                    )
2465                    .to_string());
2466                }
2467                {
2468                    let (domain_start, p_value) = if periods[0].is_some() {
2469                        (origins[0].unwrap_or(minv), periods[0].unwrap())
2470                    } else {
2471                        parse_periodic_domain_1d(options, minv, maxv).map_err(|e| e.to_string())?
2472                    };
2473                    let domain_end = domain_start + p_value;
2474                    (
2475                        BSplineKnotSpec::PeriodicUniform {
2476                            data_range: (domain_start, domain_end),
2477                            num_basis: n_knots + effective_degree + 1,
2478                        },
2479                        OneDimensionalBoundary::Cyclic {
2480                            start: domain_start,
2481                            end: domain_end,
2482                        },
2483                    )
2484                }
2485            } else if type_opt == "cr" || type_opt == "cs" {
2486                // mgcv `bs="cr"`/`"cs"`: a natural cubic regression spline whose
2487                // basis is indexed by `k` values at quantile-placed knots (#1074),
2488                // NOT a B-spline knot vector. Match gam's `k=` convention by
2489                // requesting the same total basis size the B-spline arm would
2490                // produce (`n_knots` internal + degree + 1), floored at the cr
2491                // minimum of 3 knots. `cr` vs `cs` (shrinkage) is carried by the
2492                // `double_penalty` flag resolved below, which the cr builder reads.
2493                //
2494                // Cap that request to the covariate's data support (#1541): a cr
2495                // basis cannot place more value-knots than there are distinct
2496                // covariate values, so an unclamped `k` on a low-cardinality
2497                // predictor (binary indicator, 3-level ordinal, small count) used
2498                // to hard-fail in `select_cr_knots` instead of reducing like mgcv
2499                // and gam's tensor path. Below the cr minimum (a binary covariate)
2500                // degrade to the B-spline marginal the default `s(x, k=..)` basis
2501                // already fits on the same data — never a hard error.
2502                let k_cr = (n_knots + effective_degree + 1).max(CR_MIN_KNOTS);
2503                let knotspec = match capped_cr_marginal_knotspec(
2504                    ds.values.column(c),
2505                    k_cr,
2506                    &vars.join(","),
2507                    inference_notes,
2508                )? {
2509                    Some(cr_knotspec) => cr_knotspec,
2510                    None => resolve_nonperiodic_bspline_knotspec(
2511                        options,
2512                        ds.values.column(c),
2513                        (minv, maxv),
2514                        effective_degree,
2515                        n_knots,
2516                    )?,
2517                };
2518                (knotspec, parse_cyclic_boundary(options, minv, maxv)?)
2519            } else {
2520                (
2521                    resolve_nonperiodic_bspline_knotspec(
2522                        options,
2523                        ds.values.column(c),
2524                        (minv, maxv),
2525                        effective_degree,
2526                        n_knots,
2527                    )?,
2528                    parse_cyclic_boundary(options, minv, maxv)?,
2529                )
2530            };
2531            // Both cubic-regression spellings recover unsupported null-space
2532            // effects by default. An explicit `double_penalty=false` is the
2533            // MLE-style opt-out.
2534            let double_penalty = smooth_double_penalty;
2535            // Clamp the marginal difference penalty to `<= effective_degree`
2536            // so it stays well-defined when the per-axis degree was reduced
2537            // (mirrors the tensor margin path: `create_difference_penalty_matrix`
2538            // requires order < num_basis_functions).
2539            let penalty_order = option_usize(options, "penalty_order")
2540                .unwrap_or(DEFAULT_PENALTY_ORDER)
2541                .min(effective_degree);
2542            Ok(SmoothBasisSpec::BSpline1D {
2543                feature_col: c,
2544                spec: BSplineBasisSpec {
2545                    degree: effective_degree,
2546                    penalty_order,
2547                    knotspec,
2548                    double_penalty,
2549                    identifiability,
2550                    boundary,
2551                    boundary_conditions,
2552                },
2553            })
2554        }
2555        "tps" | "thinplate" | "thin-plate" => {
2556            validate_known_options(
2557                "thinplate",
2558                options,
2559                &[
2560                    SECONDARY_CENTER_CAP_OPTION,
2561                    "type",
2562                    "bs",
2563                    "by",
2564                    "length_scale",
2565                    "centers",
2566                    "k",
2567                    "basis_dim",
2568                    "basis-dim",
2569                    "basisdim",
2570                    "knots",
2571                    "include_intercept",
2572                    "double_penalty",
2573                    "by",
2574                    "id",
2575                    "__by_col",
2576                    "identifiability",
2577                    "by",
2578                    "periodic",
2579                    "cyclic",
2580                    "period",
2581                    "period_start",
2582                    "period_end",
2583                    "scale_dims",
2584                ],
2585            )?;
2586            let plan = plan_spatial_basis(
2587                sizing_rows,
2588                cols.len(),
2589                CenterCountRequest::Default,
2590                DuchonNullspaceOrder::Linear,
2591                option_bool(options, "scale_dims").unwrap_or(false),
2592                policy,
2593            )
2594            .map_err(|e| e.to_string())?;
2595            // #1074: the mgcv-sized basis cap (`k = 10·3^(d-1)`) that used to live
2596            // here was DELETED. It masked the real defect — the n-scaling default
2597            // over-sizes a thin-plate field, producing a weakly-identified
2598            // two-penalty ρ-surface the outer optimizer stalls on (row-order
2599            // dependent, #1378), and surplus columns REML can't penalize away on
2600            // weak-signal fits. Capping the basis hid that stall instead of fixing
2601            // it. The default now uses the generic spatial center heuristic; the
2602            // root fix (a well-identified ρ-surface / optimizer that doesn't stall)
2603            // is tracked separately. Explicit `k`/`centers` still take full effect.
2604            let default_centers = plan.centers;
2605            let centers = parse_countwith_basis_alias(
2606                options,
2607                "centers",
2608                cap_default_spatial_centers(options, default_centers),
2609            )?;
2610            let center_strategy = if has_explicit_countwith_basis_alias(options, "centers") {
2611                spatial_center_strategy_for_dimension(centers, cols.len())
2612            } else {
2613                auto_spatial_center_strategy(centers, cols.len())
2614            };
2615            Ok(SmoothBasisSpec::ThinPlate {
2616                feature_cols: cols.to_vec(),
2617                spec: ThinPlateBasisSpec {
2618                    center_strategy,
2619                    periodic: parse_periodic_axes_option(options, cols.len())?,
2620                    // Sentinel: leave at 0.0 when the user didn't pass an
2621                    // explicit length_scale so `auto_init_length_scale_in_place`
2622                    // can replace it with a data-derived initialization. The
2623                    // old hard-coded 1.0 was the documented basin (see
2624                    // smooth.rs `auto_init_length_scale_in_place`) that the
2625                    // spatial optimizer could not escape, leaving TPS terms
2626                    // initialized off the data scale.
2627                    length_scale: option_f64(options, "length_scale").unwrap_or(0.0),
2628                    double_penalty: smooth_double_penalty,
2629                    identifiability: parse_spatial_identifiability(options)
2630                        .map_err(|e| e.to_string())?,
2631                    radial_reparam: None,
2632                },
2633                input_scale: None,
2634            })
2635        }
2636        "sphere" | "s2" | "sos" => {
2637            validate_known_options(
2638                "sphere",
2639                options,
2640                &[
2641                    "type",
2642                    "bs",
2643                    "by",
2644                    "centers",
2645                    "k",
2646                    "basis_dim",
2647                    "basis-dim",
2648                    "basisdim",
2649                    "knots",
2650                    "penalty_order",
2651                    "m",
2652                    "double_penalty",
2653                    "id",
2654                    "__by_col",
2655                    "kernel",
2656                    "method",
2657                    "radians",
2658                    "units",
2659                    "degree",
2660                    "l",
2661                    "max_degree",
2662                    "max-degree",
2663                ],
2664            )?;
2665            if cols.len() != 2 {
2666                return Err(format!(
2667                    "sphere smooth expects exactly two variables (lat, lon), got {}",
2668                    cols.len()
2669                ));
2670            }
2671            let radians = option_bool(options, "radians").unwrap_or_else(|| {
2672                options
2673                    .get("units")
2674                    .map(|u| u.eq_ignore_ascii_case("radian") || u.eq_ignore_ascii_case("radians"))
2675                    .unwrap_or(false)
2676            });
2677            // An explicit `degree`/`l`/`max_degree` names a spherical-harmonic
2678            // truncation, so with no explicit kernel/method it selects the
2679            // Harmonic construction (the Wahba kernel ignores `degree` and would
2680            // silently emit a 1-column kernel design). An explicit kernel/method
2681            // still wins.
2682            let degree_requested = options.contains_key("degree")
2683                || options.contains_key("l")
2684                || options.contains_key("max_degree")
2685                || options.contains_key("max-degree");
2686            let kernel = options
2687                .get("kernel")
2688                .or_else(|| options.get("method"))
2689                .map(|raw| strip_quotes(raw).trim().to_ascii_lowercase())
2690                .unwrap_or_else(|| {
2691                    if degree_requested {
2692                        "harmonic".to_string()
2693                    } else {
2694                        "sobolev".to_string()
2695                    }
2696                });
2697            let (method, wahba_kernel) = match kernel.as_str() {
2698                "sobolev" | "wahba" | "wahba_sobolev" | "wahba-sobolev" => {
2699                    (SphereMethod::Wahba, SphereWahbaKernel::Sobolev)
2700                }
2701                "pseudo" | "mgcv" | "sos" | "wahba_pseudo" | "wahba-pseudo" => {
2702                    (SphereMethod::Wahba, SphereWahbaKernel::Pseudo)
2703                }
2704                "harmonic" | "spherical_harmonic" | "spherical-harmonic" => {
2705                    (SphereMethod::Harmonic, SphereWahbaKernel::Sobolev)
2706                }
2707                other => {
2708                    return Err(format!(
2709                        "unsupported sphere kernel '{other}'; expected sobolev, pseudo, or harmonic"
2710                    ));
2711                }
2712            };
2713            let max_degree = if matches!(method, SphereMethod::Harmonic) {
2714                let degree =
2715                    option_usize_any(options, &["degree", "l", "max_degree", "max-degree"])
2716                        .or_else(|| option_usize(options, "centers"))
2717                        .or_else(|| {
2718                            option_usize_any(options, &["k", "basis_dim", "basis-dim", "basisdim"])
2719                                .and_then(|k| (1..=128).find(|&l| l * (l + 2) >= k))
2720                        })
2721                        .unwrap_or_else(|| default_spherical_harmonic_degree(sizing_rows));
2722                if degree == 0 {
2723                    return Err("sphere smooth requires degree/max_degree >= 1".to_string());
2724                }
2725                if degree > 32 {
2726                    return Err(format!(
2727                        "sphere smooth max_degree={} is too large for the dense harmonic engine (limit 32)",
2728                        degree
2729                    ));
2730                }
2731                Some(degree)
2732            } else {
2733                None
2734            };
2735            let penalty_order = option_usize(options, "penalty_order")
2736                .or_else(|| option_usize(options, "m"))
2737                .unwrap_or(DEFAULT_PENALTY_ORDER);
2738            let center_strategy = if matches!(method, SphereMethod::Wahba) {
2739                let mut centers = parse_countwith_basis_alias(
2740                    options,
2741                    "centers",
2742                    default_num_centers(sizing_rows, cols.len()),
2743                )?;
2744                if penalty_order >= 4 {
2745                    centers = centers.max(30);
2746                }
2747                CenterStrategy::FarthestPoint {
2748                    num_centers: centers,
2749                }
2750            } else {
2751                CenterStrategy::FarthestPoint { num_centers: 0 }
2752            };
2753            Ok(SmoothBasisSpec::Sphere {
2754                feature_cols: cols.to_vec(),
2755                spec: SphericalSplineBasisSpec {
2756                    center_strategy,
2757                    penalty_order,
2758                    double_penalty: smooth_double_penalty,
2759                    radians,
2760                    method,
2761                    max_degree,
2762                    wahba_kernel,
2763                    identifiability: SphericalSplineIdentifiability::CenterSumToZero,
2764                },
2765            })
2766        }
2767        "curvature" => {
2768            // Constant-curvature (M_κ) geodesic-kernel smooth (#944): the
2769            // κ-generic sibling of the intrinsic S² smooth above. The feature
2770            // columns are κ-stereographic chart coordinates and the geometry
2771            // comes from `geometry::constant_curvature::ConstantCurvature`.
2772            // `kappa=` follows the mgcv-`sp=` convention (gam#2152): an EXPLICIT
2773            // value is a FIXED sectional curvature that selects the geometry
2774            // (`Sᵈ` for κ>0, `ℝᵈ` for κ=0, `Hᵈ` for κ<0) and is honoured verbatim
2775            // by the fit; OMITTING `kappa=` leaves κ free for the #944/#1464
2776            // outer ψ-coordinate estimation, seeded at the flat default 0.
2777            validate_known_options(
2778                "curvature",
2779                options,
2780                &[
2781                    "type",
2782                    "bs",
2783                    "by",
2784                    "centers",
2785                    "k",
2786                    "basis_dim",
2787                    "basis-dim",
2788                    "basisdim",
2789                    "knots",
2790                    "kappa",
2791                    "length_scale",
2792                    "double_penalty",
2793                    "id",
2794                    "__by_col",
2795                ],
2796            )?;
2797            // `kappa=` follows the mgcv-`sp=` convention: an EXPLICIT value pins
2798            // the sectional curvature (fixed geometry, honoured verbatim by the
2799            // fit — gam#2152); an OMITTED `kappa=` leaves κ free for the
2800            // #944/#1464 outer estimation, seeded at the flat default 0.
2801            let kappa_opt = option_f64(options, "kappa");
2802            let kappa_fixed = kappa_opt.is_some();
2803            let kappa = kappa_opt.unwrap_or(0.0);
2804            if !kappa.is_finite() {
2805                return Err("curvature smooth requires a finite kappa".to_string());
2806            }
2807            let length_scale = option_f64(options, "length_scale").unwrap_or(0.0);
2808            if !length_scale.is_finite() || length_scale < 0.0 {
2809                return Err(format!(
2810                    "curvature smooth length_scale must be positive (or omitted for auto); got {length_scale}"
2811                ));
2812            }
2813            let centers = parse_countwith_basis_alias(
2814                options,
2815                "centers",
2816                default_num_centers(sizing_rows, cols.len()),
2817            )?;
2818            if centers < 2 {
2819                return Err("curvature smooth requires at least 2 centers".to_string());
2820            }
2821            let center_strategy = if has_explicit_countwith_basis_alias(options, "centers") {
2822                spatial_center_strategy_for_dimension(centers, cols.len())
2823            } else {
2824                auto_spatial_center_strategy(centers, cols.len())
2825            };
2826            Ok(SmoothBasisSpec::ConstantCurvature {
2827                feature_cols: cols.to_vec(),
2828                spec: ConstantCurvatureBasisSpec {
2829                    center_strategy,
2830                    kappa,
2831                    kappa_fixed,
2832                    // 0.0 sentinel = κ-independent auto initialization in the
2833                    // basis builder (median chart center spacing, doubled).
2834                    length_scale,
2835                    // Curvature smooth defaults to NO double-penalty ridge
2836                    // (#1464): the curvature-blind ridge `I` absorbs the data fit
2837                    // independently of κ and rails the fitted curvature to the
2838                    // +chart bound (hyperbolic truth recovered as spherical). The
2839                    // RKHS Gram penalty is already full-rank PD, so the ridge adds
2840                    // no stability. Honour an EXPLICIT `double_penalty=` only.
2841                    double_penalty: option_bool(options, "double_penalty").unwrap_or(false),
2842                    identifiability: ConstantCurvatureIdentifiability::CenterSumToZero,
2843                },
2844            })
2845        }
2846        "measurejet" => {
2847            // Measure-jet spline: multiscale local-jet-residual energy of the
2848            // empirical measure. The feature columns are ambient coordinates
2849            // of data concentrated near an unknown low-dimensional set; the
2850            // geometry (centers, masses, scale band) is read off the measure
2851            // at build time — magic by default, every option optional.
2852            validate_known_options(
2853                "measurejet",
2854                options,
2855                &[
2856                    "type",
2857                    "bs",
2858                    "by",
2859                    "centers",
2860                    "k",
2861                    "basis_dim",
2862                    "basis-dim",
2863                    "basisdim",
2864                    "knots",
2865                    "s",
2866                    "alpha",
2867                    "tau",
2868                    "scales",
2869                    "length_scale",
2870                    "double_penalty",
2871                    "multiscale",
2872                    "learn_length_scale",
2873                    "id",
2874                    "__by_col",
2875                ],
2876            )?;
2877            let order_s = option_f64(options, "s").unwrap_or(0.0);
2878            // 0.0 = auto sentinel; explicit values must sit inside the
2879            // admissible order interval of the affine-jet (r = 2) energy.
2880            if !(order_s.is_finite() && (order_s == 0.0 || (order_s > 0.0 && order_s < 2.0))) {
2881                return Err(format!(
2882                    "measurejet smooth s must lie in (0, 2) (or be omitted for auto); got {order_s}"
2883                ));
2884            }
2885            // Default to the spec Default (α = 1, density-WEIGHTED Hessian
2886            // energy — the module-header default). The density-free α = 3/2
2887            // (q^{−2}) over-smooths low-intrinsic-dimension manifolds where the
2888            // local mass q is tiny and varies along the stratum (#1116:
2889            // 13×-worse-than-matérn on a 1-D curve in 3-D); α = 1's q^{−1} is
2890            // gentler and robust across intrinsic dimensions. An explicit
2891            // `alpha=` still overrides for full-dimensional density-free use.
2892            let alpha =
2893                option_f64(options, "alpha").unwrap_or(MeasureJetBasisSpec::default().alpha);
2894            if !alpha.is_finite() {
2895                return Err("measurejet smooth requires a finite alpha".to_string());
2896            }
2897            let tau0 = option_f64(options, "tau").unwrap_or(1e-3);
2898            if !(tau0.is_finite() && tau0 >= 0.0) {
2899                return Err(format!(
2900                    "measurejet smooth tau must be finite and nonnegative; got {tau0}"
2901                ));
2902            }
2903            let num_scales = option_usize(options, "scales").unwrap_or(0);
2904            let length_scale = option_f64(options, "length_scale").unwrap_or(0.0);
2905            if !length_scale.is_finite() || length_scale < 0.0 {
2906                return Err(format!(
2907                    "measurejet smooth length_scale must be positive (or omitted for auto); got {length_scale}"
2908                ));
2909            }
2910            let centers = parse_countwith_basis_alias(
2911                options,
2912                "centers",
2913                default_num_centers(sizing_rows, cols.len()),
2914            )?;
2915            if centers < 3 {
2916                return Err("measurejet smooth requires at least 3 centers".to_string());
2917            }
2918            let center_strategy = if has_explicit_countwith_basis_alias(options, "centers") {
2919                spatial_center_strategy_for_dimension(centers, cols.len())
2920            } else {
2921                auto_spatial_center_strategy(centers, cols.len())
2922            };
2923            // Multiscale (per-scale spectral split + (α, lnτ) ψ dials + the
2924            // affine-preserving ridge) is an explicit opt-in (#1116): default
2925            // single-scale at any center count, the Duchon/Matérn footprint.
2926            let multiscale = option_bool(options, "multiscale").unwrap_or(false);
2927            // REML-learning the representer range ℓ is an explicit opt-in.
2928            // The stable default freezes ℓ at the auto/user value; the
2929            // design-moving coordinate is expensive and can overfit low-signal
2930            // surfaces when enabled implicitly.
2931            let learn_length_scale = option_bool(options, "learn_length_scale").unwrap_or(false);
2932            Ok(SmoothBasisSpec::MeasureJet {
2933                feature_cols: cols.to_vec(),
2934                spec: MeasureJetBasisSpec {
2935                    center_strategy,
2936                    order_s,
2937                    alpha,
2938                    tau0,
2939                    num_scales,
2940                    // 0.0 sentinel = auto initialization in the basis builder
2941                    // (median nearest-center spacing).
2942                    length_scale,
2943                    double_penalty: smooth_double_penalty,
2944                    learn_length_scale,
2945                    multiscale,
2946                    identifiability: MeasureJetIdentifiability::CenterSumToZero,
2947                    frozen_quadrature: None,
2948                },
2949                input_scale: None,
2950            })
2951        }
2952        "matern" => {
2953            // Catch typos like `lengt_scale=` / `nyu=` / `centerz=` before
2954            // they get silently ignored and the user wonders why their
2955            // option had no effect. The matern() term accepts exactly
2956            // these options.
2957            validate_known_options(
2958                "matern",
2959                options,
2960                &[
2961                    SECONDARY_CENTER_CAP_OPTION,
2962                    "type",
2963                    "bs",
2964                    "by",
2965                    "nu",
2966                    "length_scale",
2967                    "centers",
2968                    "k",
2969                    "basis_dim",
2970                    "basis-dim",
2971                    "basisdim",
2972                    "knots",
2973                    "include_intercept",
2974                    "double_penalty",
2975                    "by",
2976                    "id",
2977                    "__by_col",
2978                    "identifiability",
2979                    "by",
2980                    "periodic",
2981                    "cyclic",
2982                    "period",
2983                    "period_start",
2984                    "period_end",
2985                    "scale_dims",
2986                ],
2987            )?;
2988            let plan = plan_spatial_basis(
2989                sizing_rows,
2990                cols.len(),
2991                CenterCountRequest::Default,
2992                DuchonNullspaceOrder::Zero,
2993                option_bool(options, "scale_dims").unwrap_or(false),
2994                policy,
2995            )
2996            .map_err(|e| e.to_string())?;
2997            // #1867: spline-equivalent floor so a 1-D radial basis is not
2998            // dimensioned coarser than the competing `s(x)` on identical data.
2999            let univariate_floor = if cols.len() == 1 {
3000                heuristic_knots_for_column(ds.values.column(cols[0]))
3001                    .saturating_add(DEFAULT_BSPLINE_DEGREE + 1)
3002            } else {
3003                0
3004            };
3005            let centers = parse_countwith_basis_alias(
3006                options,
3007                "centers",
3008                cap_default_spatial_centers(
3009                    options,
3010                    default_matern_center_count(
3011                        sizing_rows,
3012                        cols.len(),
3013                        plan.centers,
3014                        univariate_floor,
3015                    ),
3016                ),
3017            )?;
3018            let center_strategy = if has_explicit_countwith_basis_alias(options, "centers") {
3019                spatial_center_strategy_for_dimension(centers, cols.len())
3020            } else {
3021                auto_spatial_center_strategy(centers, cols.len())
3022            };
3023            let nu = parse_matern_nu(options.get("nu").map(String::as_str).unwrap_or("5/2"))?;
3024            // The exponential (ν = 1/2) Matérn kernel has a singular Laplacian
3025            // at zero in d ≥ 2, so the operator-collocation penalty machinery
3026            // hits a non-invertible matrix during fit. Surface the cause
3027            // up-front instead of letting the user see the generic
3028            // "Matrix conditioning issue detected" wrapper from PIRLS.
3029            if matches!(nu, MaternNu::Half) && cols.len() >= 2 {
3030                return Err(TermBuilderError::unsupported_feature(format!(
3031                    "matern() with nu=1/2 is not supported for d>=2 (got {} covariates): \
3032                     the exponential kernel's Laplacian is singular at center collisions, \
3033                     which makes the operator-collocation penalty non-invertible. \
3034                     Choose nu>=3/2 (e.g. nu=3/2 or the default nu=5/2) for multi-dimensional smooths.",
3035                    cols.len()
3036                ))
3037                .to_string());
3038            }
3039            let aniso_log_scales = if option_bool(options, "scale_dims").unwrap_or(false) {
3040                Some(vec![0.0; cols.len()])
3041            } else {
3042                None
3043            };
3044            Ok(SmoothBasisSpec::Matern {
3045                feature_cols: cols.to_vec(),
3046                spec: MaternBasisSpec {
3047                    center_strategy,
3048                    periodic: parse_periodic_axes_option(options, cols.len())?,
3049                    // Preserve whether the user supplied `length_scale` as typed
3050                    // provenance. The planner resolves `Auto` to the same
3051                    // data-derived wiggly-side initialization the thin-plate path
3052                    // uses (`max_range / sqrt(n)`), then lets the κ-optimizer refine
3053                    // it without ever turning it into a user-fixed scale.
3054                    //
3055                    // gam#1629: the previous `default_matern_length_scale` seeded
3056                    // the FULL data diameter — the maximally over-smoothed corner.
3057                    // Because that value looked explicit, the old auto-init was a
3058                    // no-op for Matérn, so the κ-optimizer started in the flat
3059                    // over-smoothed basin and parked there, leaving high-frequency
3060                    // 2-D surfaces unresolved (truth-RMSE ~6× worse than
3061                    // thin-plate/tensor on identical data, and insensitive to `k`).
3062                    // Typed Auto starts REML in the resolving regime it can escape
3063                    // from and cannot be confused with explicit zero.
3064                    length_scale: option_f64(options, "length_scale")
3065                        .map(MaternLengthScale::fixed)
3066                        .unwrap_or_else(MaternLengthScale::auto),
3067                    nu,
3068                    include_intercept: option_bool(options, "include_intercept").unwrap_or(false),
3069                    double_penalty: smooth_double_penalty,
3070                    identifiability: parse_matern_identifiability(options)
3071                        .map_err(|e| e.to_string())?,
3072                    aniso_log_scales,
3073                    // Cold build: let the bootstrap-κ spectral test decide whether
3074                    // the double-penalty nullspace shrinkage survives; the freeze
3075                    // step then pins that decision into the FrozenTransform so the
3076                    // κ-optimizer's rebuilds keep the count invariant (gam#787/#860).
3077                },
3078                input_scale: None,
3079            })
3080        }
3081        "duchon" | "ds" => {
3082            validate_known_options(
3083                "duchon",
3084                options,
3085                &[
3086                    SECONDARY_CENTER_CAP_OPTION,
3087                    "type",
3088                    "bs",
3089                    "by",
3090                    "length_scale",
3091                    "centers",
3092                    "k",
3093                    "basis_dim",
3094                    "basis-dim",
3095                    "basisdim",
3096                    "knots",
3097                    "power",
3098                    "p",
3099                    "nullspace_order",
3100                    "order",
3101                    "identifiability",
3102                    "by",
3103                    "periodic",
3104                    "cyclic",
3105                    "period",
3106                    "period_start",
3107                    "period_end",
3108                    "scale_dims",
3109                    "double_penalty",
3110                    "by",
3111                    "id",
3112                    "__by_col",
3113                ],
3114            )?;
3115            if options.contains_key("double_penalty") {
3116                return Err(TermBuilderError::incompatible_config(format!(
3117                    "Duchon smooth '{}' does not support double_penalty; the Duchon smoother already ships its native reproducing-norm penalty plus a null-space shrinkage ridge.",
3118                    vars.join(", ")
3119                ))
3120                .to_string());
3121            }
3122            let requested_nullspace_order = parse_duchon_order(options)?;
3123            let length_scale = option_f64_strict(options, "length_scale")?;
3124            // Resolve `(nullspace_order, power)`. The default (magic) path is a
3125            // structural amplitude/slope/curvature smoother: an affine (`Linear`)
3126            // polynomial nullspace and spectral power `s = (d - 1)/2`, giving the
3127            // cubic kernel `r^3` in 1D. There is no nullspace-order escalation —
3128            // the structural cubic smoother is well-defined for every dimension.
3129            //
3130            // Explicit `power=...` honors the user's value verbatim against their
3131            // requested nullspace order; the kernel validator emits a precise
3132            // diagnostic for any inadmissible combination. In the scale-free
3133            // (non-hybrid) regime fractional powers are admitted and threaded as
3134            // `f64`. The hybrid Duchon-Matérn kernel (`length_scale=Some`) is
3135            // restricted to integer powers.
3136            let (nullspace_order, power) = match parse_duchon_power_policy(options)? {
3137                DuchonPowerPolicy::Explicit(req_power) => {
3138                    if length_scale.is_some() && req_power.fract() != 0.0 {
3139                        return Err(TermBuilderError::incompatible_config(format!(
3140                            "hybrid Duchon-Matern smooth '{}' (length_scale=...) requires an integer power, got power={}; \
3141                             drop length_scale to use the scale-free structural kernel with a fractional power.",
3142                            vars.join(", "),
3143                            req_power,
3144                        ))
3145                        .to_string());
3146                    }
3147                    (requested_nullspace_order, req_power)
3148                }
3149                DuchonPowerPolicy::CubicStructuralDefault => {
3150                    // Magic cubic rule (REQUEST-LAYER default): no explicit power ⇒
3151                    // affine null space + fractional spectral power s = (d-1)/2, i.e.
3152                    // the Duchon kernel φ(r)=r³ in every dimension. An EXPLICIT
3153                    // `power=0` is handled above and is honored as the s=0 Duchon
3154                    // kernel (r²·log r ≡ the thin-plate kernel in even d) — the magic
3155                    // default lives here, not in the basis builder.
3156                    match length_scale {
3157                        None => crate::basis::duchon_cubic_default(cols.len()),
3158                        Some(_) => {
3159                            // The hybrid Matérn-blended kernel (`length_scale=Some`)
3160                            // requires an INTEGER spectral power `s` (the partial-
3161                            // fraction split `1/(ρ^{2p}(κ²+ρ²)^s)` is only defined for
3162                            // integer `s`). The fractional cubic default `s=(d-1)/2` is
3163                            // a half-integer for even `d`, and the basis builder's
3164                            // `power_as_usize` maps a NON-integer to `0` (not its
3165                            // floor) — so for even `d ≥ 4` the realized kernel has
3166                            // `2(p+s) = 2p = 4 ≤ d`, which is non-finite at the origin
3167                            // and crashes the fit (historically a non-finite
3168                            // eigendecomposition; now a fit-time validation error).
3169                            //
3170                            // Resolve to the same structural cubic default the
3171                            // scale-free path uses (affine `Linear` null space, `r³`
3172                            // kernel, fractional power `s = (d-1)/2`) but take the
3173                            // largest admissible INTEGER at or below it — `⌊(d-1)/2⌋`.
3174                            // For odd `d` this is exactly the cubic power (the hybrid
3175                            // default then agrees with the scale-free cubic default);
3176                            // for even `d` it is the nearest integer below. Either way
3177                            // `p = 2` (affine) gives spectral order
3178                            // `2(p+s) = d+3` (odd `d`) or `d+2` (even `d`), which
3179                            // clears both kernel existence `2(p+s) > d` and the D1
3180                            // collocation floor `2(p+s) > d+1` for every `d ≥ 1`.
3181                            // Flooring here at the request layer avoids the
3182                            // `power_as_usize` truncation-to-zero on the fractional
3183                            // half-integer.
3184                            let (ns, s_frac) = crate::basis::duchon_cubic_default(cols.len());
3185                            (ns, s_frac.floor())
3186                        }
3187                    }
3188                }
3189            };
3190            let plan = plan_spatial_basis(
3191                sizing_rows,
3192                cols.len(),
3193                CenterCountRequest::Default,
3194                nullspace_order,
3195                option_bool(options, "scale_dims").unwrap_or(false),
3196                policy,
3197            )
3198            .map_err(|e| e.to_string())?;
3199            let centers_explicit = has_explicit_countwith_basis_alias(options, "centers");
3200            let polynomial_cols = match nullspace_order {
3201                DuchonNullspaceOrder::Zero => 1,
3202                DuchonNullspaceOrder::Linear => cols.len() + 1,
3203                DuchonNullspaceOrder::Degree(degree) => {
3204                    crate::basis::duchon_nullspace_dimension(cols.len(), degree)
3205                }
3206            };
3207            // #1867: spline-equivalent floor so a 1-D radial basis is not
3208            // dimensioned coarser than the competing `s(x)` on identical data.
3209            let univariate_floor = if cols.len() == 1 {
3210                heuristic_knots_for_column(ds.values.column(cols[0]))
3211                    .saturating_add(DEFAULT_BSPLINE_DEGREE + 1)
3212            } else {
3213                0
3214            };
3215            let default_centers = default_duchon_center_count(
3216                sizing_rows,
3217                cols.len(),
3218                plan.centers,
3219                polynomial_cols,
3220                univariate_floor,
3221            );
3222            let requested_centers = parse_countwith_basis_alias(
3223                options,
3224                "centers",
3225                cap_default_spatial_centers(options, default_centers),
3226            )?;
3227            if requested_centers > ds.values.nrows() {
3228                return Err(TermBuilderError::incompatible_config(format!(
3229                    "Duchon smooth '{}' requested {requested_centers} centers but only {} rows are available",
3230                    vars.join(", "),
3231                    ds.values.nrows(),
3232                ))
3233                .to_string());
3234            }
3235            if requested_centers <= polynomial_cols {
3236                return Err(TermBuilderError::incompatible_config(format!(
3237                    "Duchon smooth '{}' requested basis dimension {} but order={:?} in {}D needs {} polynomial null-space columns; choose centers/k > {}",
3238                    vars.join(", "),
3239                    requested_centers,
3240                    nullspace_order,
3241                    cols.len(),
3242                    polynomial_cols,
3243                    polynomial_cols,
3244                ))
3245                .to_string());
3246            }
3247            let mut centers = requested_centers;
3248            if !centers_explicit && ds.values.nrows() <= 32 && smooth_coordinate_count >= 5 {
3249                centers = centers.max(polynomial_cols + 4);
3250            }
3251            let aniso_log_scales = if option_bool(options, "scale_dims").unwrap_or(false) {
3252                Some(vec![0.0; cols.len()])
3253            } else {
3254                None
3255            };
3256            // Formula-level `duchon(...)` is the native Duchon reproducing-norm
3257            // smoother: the always-on Primary Gram plus the polynomial trend
3258            // ridge. Do not silently add collocated mass/tension penalties here.
3259            // They add extra REML hyperparameters and an O(k)-support quadrature
3260            // build to the default 2-D path, making `duchon(x, z)` materially
3261            // slower than the equivalent thin-plate fit without a principled
3262            // accuracy gain (gam#1718). Lower-order Hilbert-scale penalties remain
3263            // available to callers that construct an explicit DuchonBasisSpec.
3264            let operator_penalties = DuchonOperatorPenaltySpec::all_disabled();
3265            // For a 1-D periodic Duchon with no EXPLICIT period, anchor the wrap
3266            // to the covariate DATA range rather than letting the basis builder
3267            // derive it from the (k-subsampled) center span. The center span is a
3268            // strict subset of the data and undershoots the true period, seaming
3269            // the curve (f(0) ≠ f(2π)); the data range is the caller's actual
3270            // domain. Honors any explicit `period=` (parse_periodic_axes_option
3271            // already threaded it) and leaves multi-D / non-periodic untouched.
3272            let mut periodic = parse_periodic_axes_option(options, cols.len())?;
3273            if cols.len() == 1
3274                && let Some(axes) = periodic.as_mut()
3275                && axes.len() == 1
3276                && axes[0].is_none()
3277            {
3278                let (minv, maxv) = col_minmax(ds.values.column(cols[0]))?;
3279                if maxv > minv {
3280                    axes[0] = Some(maxv - minv);
3281                }
3282            }
3283            let boundary = if cols.len() == 1 {
3284                let c = cols[0];
3285                let (minv, maxv) = col_minmax(ds.values.column(c))?;
3286                parse_cyclic_boundary(options, minv, maxv)?
3287            } else {
3288                OneDimensionalBoundary::Open
3289            };
3290            let is_periodic = periodic
3291                .as_ref()
3292                .is_some_and(|axes| axes.iter().any(Option::is_some))
3293                || matches!(boundary, OneDimensionalBoundary::Cyclic { .. });
3294            let center_strategy = if is_periodic {
3295                if centers_explicit {
3296                    spatial_center_strategy_for_dimension(centers, cols.len())
3297                } else {
3298                    auto_spatial_center_strategy(centers, cols.len())
3299                }
3300            } else {
3301                duchon_center_strategy(centers, cols.len(), !centers_explicit)
3302            };
3303            Ok(SmoothBasisSpec::Duchon {
3304                feature_cols: cols.to_vec(),
3305                spec: DuchonBasisSpec {
3306                    center_strategy,
3307                    periodic,
3308                    length_scale,
3309                    power,
3310                    nullspace_order,
3311                    identifiability: parse_spatial_identifiability(options)
3312                        .map_err(|e| e.to_string())?,
3313                    aniso_log_scales,
3314                    operator_penalties,
3315                    boundary,
3316                    radial_reparam: None,
3317                },
3318                input_scale: None,
3319            })
3320        }
3321        "tensor" | "te" | "ti" | "t2" => {
3322            validate_known_options(
3323                "tensor",
3324                options,
3325                &[
3326                    "type",
3327                    "bs",
3328                    "by",
3329                    "k",
3330                    "basis_dim",
3331                    "basis-dim",
3332                    "basisdim",
3333                    "knot_placement",
3334                    "knot-placement",
3335                    "knotplacement",
3336                    "degree",
3337                    "penalty_order",
3338                    "double_penalty",
3339                    "periodic",
3340                    "cyclic",
3341                    "period",
3342                    "periods",
3343                    "period_start",
3344                    "period_end",
3345                    "origin",
3346                    "origins",
3347                    "period_origin",
3348                    "period-origin",
3349                    "domain_origin",
3350                    "boundary",
3351                    "bc",
3352                    "identifiability",
3353                    "id",
3354                    "__by_col",
3355                ],
3356            )?;
3357            if cols.len() < 2 {
3358                return Err(TermBuilderError::incompatible_config(format!(
3359                    "tensor smooth expects at least 2 variables, got {}",
3360                    cols.len()
3361                ))
3362                .to_string());
3363            }
3364            let dim = cols.len();
3365
3366            // Tensor-product contract (#1082). `te(x1, x2, ...)` ALWAYS builds a
3367            // genuine anisotropic tensor product of per-margin bases (the arm
3368            // below), exactly as mgcv's `te()` does — one smoothing parameter per
3369            // margin, a marginal-Kronecker-sum penalty, and a separate default
3370            // function-space ridge on the joint polynomial null space. A margin
3371            // vector `bs=c('tp','tp')` requests a thin-plate FUNCTION SPACE per
3372            // axis; the tensor realizes each axis as a 1-D penalized B-spline
3373            // margin spanning that same per-axis space (tp/ps/cr/bs/cc all share
3374            // it). We deliberately do NOT silently swap the requested tensor for a
3375            // single multi-D ISOTROPIC thin-plate radial smooth (`s(x,y,bs='tp')`):
3376            // that is a different model — one isotropic smoothing parameter, no
3377            // per-margin anisotropy — and substituting it while the user wrote a
3378            // tensor formula is dishonest. A user who genuinely wants the isotropic
3379            // radial smooth asks for it directly with `s(x1, x2, bs='tp')`.
3380            // Per-margin basis vector (`bs=c('tp','tp')` / `bs=['ps','cr']`):
3381            // validate each requested margin is a penalized-spline basis that
3382            // the tensor product realizes as a 1-D B-spline margin. mgcv's
3383            // `tp`/`ps`/`cr`/`bs`/`cc` margins are all penalized splines over
3384            // the same per-axis function space, so a B-spline margin recovers
3385            // the same tensor smoothing space; genuinely different margin kinds
3386            // (e.g. adaptive `ad`, random `re`) are rejected loudly rather than
3387            // silently substituted.
3388            if let Some(raw) = options.get("bs").or_else(|| options.get("type"))
3389                && bs_selector_is_vector(raw)
3390            {
3391                let per_margin = parse_option_list(raw);
3392                if per_margin.len() != dim {
3393                    return Err(TermBuilderError::invalid_option(format!(
3394                        "tensor smooth per-margin bs vector has {} entries but the smooth has {} margins",
3395                        per_margin.len(),
3396                        dim
3397                    ))
3398                    .to_string());
3399                }
3400                for (axis, margin_bs) in per_margin.iter().enumerate() {
3401                    if !tensor_margin_bs_is_supported(margin_bs) {
3402                        return Err(TermBuilderError::unsupported_feature(format!(
3403                            "tensor smooth margin {axis} basis '{margin_bs}' is not a supported penalized-spline margin; \
3404                             tensor margins accept tp/tps/ps/bs/cr/cc"
3405                        ))
3406                        .to_string());
3407                    }
3408                }
3409            }
3410            let periodic_axes = parse_tensor_periodic_axes(options, dim)?;
3411            validate_tensor_boundary_tokens(options, dim)?;
3412            let periods_opt = parse_periods(options, &periodic_axes)?;
3413            let origins_opt = parse_period_origins(options, &periodic_axes)?;
3414            let degree = option_usize(options, "degree").unwrap_or(DEFAULT_BSPLINE_DEGREE);
3415            let penalty_order =
3416                option_usize(options, "penalty_order").unwrap_or(if degree > 1 { 2 } else { 1 });
3417            let (mut k_list, k_inferred) = parse_tensor_k_list(options, cols, ds)?;
3418            if ds.values.nrows() <= 32 && smooth_coordinate_count >= 5 {
3419                for k in &mut k_list {
3420                    *k = (*k).min(degree + 2);
3421                }
3422            }
3423            if k_inferred {
3424                inference_notes.push(format!(
3425                    "Automatically set per-margin basis sizes {:?} for tensor smooth '{}' \
3426                     (dimension-aware tensor budget: total ∏k kept near the mgcv-te default \
3427                     and within the data support, distributed geometrically across margins and \
3428                     capped per margin by each column's resolution). \
3429                     Override with k=<int> or k=[k0,k1,...].",
3430                    k_list,
3431                    vars.join(",")
3432                ));
3433            }
3434            // Per-axis requested marginal basis family. mgcv's `te()`/`ti()`
3435            // default marginal basis is the cubic regression spline (`cr`), and
3436            // the te_3d quality gap (#1074) is precisely the marginal-basis
3437            // resolution at small `k`: a `cr` margin places k value-knots at
3438            // data quantiles (finer interior resolution under natural boundary
3439            // constraints) where the cubic B-spline margin has only
3440            // `k-degree-1` interior knots. Resolve each axis to either an
3441            // explicit per-margin `bs` (vector `bs=c('cr','ps')`), a single
3442            // scalar `bs`, or the unset default — and route
3443            // `cr`/`cs`/unset/`tp`/`tps` margins through the natural cubic
3444            // regression builder (`NaturalCubicRegression` knotspec), keeping
3445            // explicit `ps`/`bs`/`bspline` on the B-spline margin.
3446            let per_axis_bs: Vec<Option<String>> =
3447                match options.get("bs").or_else(|| options.get("type")) {
3448                    Some(raw) if bs_selector_is_vector(raw) => {
3449                        let list = parse_option_list(raw);
3450                        (0..dim).map(|a| list.get(a).cloned()).collect()
3451                    }
3452                    Some(raw) => {
3453                        let scalar = raw
3454                            .trim()
3455                            .trim_matches('"')
3456                            .trim_matches('\'')
3457                            .to_ascii_lowercase();
3458                        vec![Some(scalar); dim]
3459                    }
3460                    None => vec![None; dim],
3461                };
3462            // A margin is realized as a natural cubic regression spline when it
3463            // is the (unset) mgcv default, an explicit `cr`/`cs`, or a
3464            // `tp`/`tps` (same per-axis penalized-spline space). Explicit
3465            // B-spline-family margins (`ps`/`bs`/`bspline`/`p-spline`) keep the
3466            // open B-spline margin.
3467            let margin_wants_cr = |bs: &Option<String>| -> bool {
3468                matches!(
3469                    bs.as_deref(),
3470                    None | Some("cr") | Some("cs") | Some("tp") | Some("tps")
3471                )
3472            };
3473            let requested_knot_placement = parse_knot_placement(options)?;
3474            let mut margins: Vec<BSplineBasisSpec> = Vec::with_capacity(dim);
3475            let mut emitted_periods: Vec<Option<f64>> = Vec::with_capacity(dim);
3476            for axis in 0..dim {
3477                let c = cols[axis];
3478                let (data_min, data_max) = col_minmax(ds.values.column(c))?;
3479                // mgcv reduces a tensor margin's basis dimension to what its data
3480                // can support: a cr or B-spline margin cannot place more value
3481                // knots / basis functions than there are DISTINCT covariate
3482                // values on that axis. Without this cap an explicit `k` on a
3483                // low-cardinality margin — e.g. the binary `badh ∈ {0,1}` in
3484                // `te(age, badh, k=5)` — hard-failed in `select_cr_knots` ("cubic
3485                // regression spline with k=5 requires at least 5 distinct values,
3486                // got 2") instead of degrading to the 2-function (linear) margin
3487                // mgcv builds there. The auto-`k` path already caps per margin via
3488                // `heuristic_tensor_margin_knots`; mirror that for explicit `k`.
3489                // The cap propagates correctly: every per-axis quantity below
3490                // (effective degree, knot set, penalty order) is derived from
3491                // `k_axis`, and the marginal basis size is read from the resulting
3492                // knot spec — never from `k_list`. Floor at 2 so a margin still
3493                // carries at least a linear basis (tensor margins require k >= 2).
3494                let k_requested = k_list[axis];
3495                let n_distinct_axis = unique_count_column(ds.values.column(c));
3496                let k_axis = k_requested.min(n_distinct_axis).max(2);
3497                if k_axis < k_requested {
3498                    log::info!(
3499                        "tensor smooth: margin axis {axis} requested k={k_requested}, but the \
3500                         covariate has only {n_distinct_axis} distinct value(s); reducing this \
3501                         margin to k={k_axis} (mgcv-style data-support cap on the per-axis basis)."
3502                    );
3503                }
3504                // Per-axis effective spline degree. The B-spline basis with `k`
3505                // functions is well-defined for any `degree <= k - 1`; mgcv's
3506                // `te(...)` exploits this so a binary tensor margin
3507                // (`k=2` → linear basis) or a ternary margin (`k=3` → quadratic)
3508                // can coexist with a smoother continuous margin under one
3509                // shared `degree=` request. We mirror that: if the caller
3510                // explicitly asks for `k < degree + 1`, drop the degree on
3511                // THAT axis only to the largest feasible spline, and track the
3512                // penalty order so the marginal difference penalty stays
3513                // well-defined (`order < num_basis_functions` is required by
3514                // `create_difference_penalty_matrix`). Apply the same
3515                // per-margin degree shrinkage to periodic tensor margins too:
3516                // a cyclic marginal basis with k=3 cannot be cubic, but it is
3517                // still a valid lower-degree cyclic margin with dimension k,
3518                // matching mgcv's small-k tensor-margin behavior.
3519                if k_axis < 2 {
3520                    return Err(TermBuilderError::invalid_option(format!(
3521                        "tensor smooth: k[{axis}]={k_axis} too small; tensor margins require k >= 2"
3522                    ))
3523                    .to_string());
3524                }
3525                let effective_degree = degree.min(k_axis - 1).max(1);
3526                let effective_penalty_order = penalty_order.min(effective_degree);
3527                // A `cc`/`cp`/`cyclic` per-margin basis declares periodicity
3528                // without necessarily supplying a `period=`: mgcv's `bs="cc"`
3529                // wraps at the covariate's observed data range. Mirror the 1-D
3530                // cyclic fallback (`parse_periodic_domain_1d`) here so a bare
3531                // `te(x, z, bs=c('cc','cc'))` wraps each margin on its own
3532                // [min, max] span instead of hard-erroring (#1752).
3533                let margin_is_cc = matches!(
3534                    canonicalize_smooth_type(per_axis_bs[axis].as_deref().unwrap_or("")),
3535                    "cc" | "cp" | "cyclic"
3536                );
3537                let (knotspec, boundary, axis_period) = if periodic_axes[axis] {
3538                    // A `cc`/`cp`/`cyclic` per-margin basis declares periodicity
3539                    // without necessarily supplying a `period=`; in that case wrap
3540                    // at the covariate's observed [min, max] span, mirroring the
3541                    // 1-D cyclic fallback (`parse_periodic_domain_1d`) so a bare
3542                    // `te(x, z, bs=c('cc','cc'))` wraps each margin on its own
3543                    // range instead of hard-erroring (#1752). An axis made
3544                    // periodic by an explicit `periodic=`/`boundary=` selector
3545                    // (not a cyclic margin basis) still requires an explicit
3546                    // `period=`: a data-derived period there is a sample-dependent
3547                    // off-by-ε seam and is not inferred.
3548                    let (domain_start, period_value) = match periods_opt[axis] {
3549                        Some(period_value) => {
3550                            if !period_value.is_finite() || period_value <= 0.0 {
3551                                return Err(format!(
3552                                    "tensor smooth axis {axis}: period must be a positive finite value, got {period_value}"
3553                                ));
3554                            }
3555                            (origins_opt[axis].unwrap_or(data_min), period_value)
3556                        }
3557                        None if margin_is_cc => {
3558                            let span = data_max - data_min;
3559                            if !span.is_finite() || span <= 0.0 {
3560                                return Err(format!(
3561                                    "tensor smooth axis {axis}: cyclic margin requires a positive \
3562                                     observed data range to derive its period, got [{data_min}, {data_max}]"
3563                                ));
3564                            }
3565                            (origins_opt[axis].unwrap_or(data_min), span)
3566                        }
3567                        None => {
3568                            return Err(format!(
3569                                "tensor smooth axis {axis} is periodic but requires an explicit \
3570                                 period: pass period=<value> (scalar) or period=[..., <value>, ...]. \
3571                                 Deriving the period from the observed data range is sample-dependent \
3572                                 (off-by-ε seam), so it is not inferred."
3573                            ));
3574                        }
3575                    };
3576                    let domain_end = domain_start + period_value;
3577                    (
3578                        BSplineKnotSpec::PeriodicUniform {
3579                            data_range: (domain_start, domain_end),
3580                            num_basis: k_axis,
3581                        },
3582                        OneDimensionalBoundary::Cyclic {
3583                            start: domain_start,
3584                            end: domain_end,
3585                        },
3586                        Some(period_value),
3587                    )
3588                } else if margin_wants_cr(&per_axis_bs[axis])
3589                    && requested_knot_placement != crate::basis::BSplineKnotPlacement::Quantile
3590                    && k_axis >= 3
3591                {
3592                    // mgcv `te()`/`ti()` default cr margin: place exactly
3593                    // `k_axis` Lancaster–Salkauskas value-knots at data
3594                    // quantiles. The cr basis dimension equals the knot count,
3595                    // so this reproduces the requested per-margin `k` directly.
3596                    // A natural cubic regression spline needs at least 3 knots
3597                    // (one interior); a `k_axis < 3` margin (e.g. a binary
3598                    // tensor axis requesting a linear margin) falls through to
3599                    // the B-spline branch below, exactly as before #1074 — mgcv
3600                    // likewise does not build a `cr` margin below k=3. An
3601                    // explicit `knot_placement=quantile` also falls through:
3602                    // that option selects the generated B-spline knot strategy
3603                    // represented by `Automatic { Quantile }`, whereas the cr
3604                    // margin has already materialized its quantile value-knots.
3605                    let cr_knots = crate::basis::select_cr_knots(ds.values.column(c), k_axis)
3606                        .map_err(|e| e.to_string())?;
3607                    (
3608                        BSplineKnotSpec::NaturalCubicRegression { knots: cr_knots },
3609                        OneDimensionalBoundary::Open,
3610                        None,
3611                    )
3612                } else {
3613                    // `num_internal_knots = k - degree - 1` reproduces the
3614                    // requested basis size exactly when degree was reduced for
3615                    // a low-cardinality margin; keep the legacy `.max(1)`
3616                    // floor on the un-reduced path so the existing knot
3617                    // geometry is unchanged whenever the user already passed
3618                    // k >= degree + 1.
3619                    let num_internal_knots = if effective_degree < degree {
3620                        k_axis.saturating_sub(effective_degree + 1)
3621                    } else {
3622                        k_axis.saturating_sub(degree + 1).max(1)
3623                    };
3624                    let knotspec = match requested_knot_placement {
3625                        crate::basis::BSplineKnotPlacement::Uniform => BSplineKnotSpec::Generate {
3626                            data_range: (data_min, data_max),
3627                            num_internal_knots,
3628                        },
3629                        crate::basis::BSplineKnotPlacement::Quantile => {
3630                            crate::basis::auto_knot_vector_1d_quantile(
3631                                ds.values.column(c),
3632                                num_internal_knots,
3633                                effective_degree,
3634                            )
3635                            .map_err(|e| e.to_string())?;
3636                            BSplineKnotSpec::Automatic {
3637                                num_internal_knots: Some(num_internal_knots),
3638                                placement: crate::basis::BSplineKnotPlacement::Quantile,
3639                            }
3640                        }
3641                    };
3642                    (knotspec, OneDimensionalBoundary::Open, None)
3643                };
3644                // Margins contribute only their roughness operators. The tensor
3645                // builder constructs exactly one joint function-space null
3646                // penalty, avoiding unused per-margin ridge candidates and
3647                // duplicate λ coordinates.
3648                margins.push(BSplineBasisSpec {
3649                    degree: effective_degree,
3650                    penalty_order: effective_penalty_order,
3651                    knotspec,
3652                    double_penalty: false,
3653                    identifiability: BSplineIdentifiability::None,
3654                    boundary,
3655                    boundary_conditions: BSplineBoundaryConditions::default(),
3656                });
3657                emitted_periods.push(axis_period);
3658            }
3659            // #1593: canonicalize the margin order so a tensor smooth is invariant
3660            // to the typed order of its covariates. `te(x, z)` and `te(z, x)` span
3661            // the IDENTICAL tensor-product space under the identical per-margin
3662            // penalty family, but the design is the Khatri–Rao product
3663            // `B_first ⊙ B_second`, so the typed order permutes the design columns
3664            // (and the per-margin penalty blocks `S_first⊗I`, `I⊗S_second`). That
3665            // permutation is a pure relabelling in exact arithmetic — REML is
3666            // invariant to it — yet it reorders the penalized normal-equation / REML
3667            // eigen/Cholesky linear algebra, and the resulting sub-ULP differences
3668            // route the outer λ optimizer to a different terminal point in te's flat
3669            // REML valley (the over-smoothed margin rails to the ρ bound while the
3670            // other lands on a materially different λ̂). So the shipped surface
3671            // drifted ~2–6 % of range with a cosmetic swap of the covariate order
3672            // (the #1378 row-permutation / #1456 rotation flat-valley gauge family).
3673            // Sorting the margins by their source feature-column index makes the same
3674            // physical model build the identical problem regardless of typed order,
3675            // so the fit — and every prediction rebuilt from the resolved spec — is
3676            // genuinely order-invariant. `ti`/`t2` share this arm and become exactly
3677            // invariant too (they were already ~1e-5 by centring each margin
3678            // separately; canonicalization makes the swap bit-identical).
3679            let canon_cols: Vec<usize> = {
3680                let mut perm: Vec<usize> = (0..dim).collect();
3681                perm.sort_by_key(|&a| cols[a]);
3682                if perm.iter().enumerate().any(|(i, &a)| i != a) {
3683                    margins = perm.iter().map(|&a| margins[a].clone()).collect();
3684                    emitted_periods = perm.iter().map(|&a| emitted_periods[a]).collect();
3685                }
3686                perm.iter().map(|&a| cols[a]).collect()
3687            };
3688            let any_periodic = emitted_periods.iter().any(|p| p.is_some());
3689            let periods_vec = if any_periodic {
3690                emitted_periods
3691            } else {
3692                Vec::new()
3693            };
3694            // The tensor's joint polynomial null space is independently
3695            // shrinkable by default, so REML can recover an unsupported surface
3696            // as zero. Explicit `double_penalty=false` remains the MLE opt-out.
3697            let tensor_double_penalty = smooth_double_penalty;
3698            Ok(SmoothBasisSpec::TensorBSpline {
3699                feature_cols: canon_cols,
3700                spec: TensorBSplineSpec {
3701                    marginalspecs: margins,
3702                    periods: periods_vec,
3703                    double_penalty: tensor_double_penalty,
3704                    identifiability: parse_tensor_identifiability(options, kind)?,
3705                    // `t2` selects mgcv's separable (Wood, Scheipl & Faraway
3706                    // 2013) decomposition. It can arrive either as the `t2(...)`
3707                    // function form (`SmoothKind::T2`) or as a `type="t2"` /
3708                    // `bs="t2"` option on an `s(...)`/`te(...)` term, in which
3709                    // case `kind` is *not* `T2` but the resolved type string is
3710                    // "t2". Keying only off `kind` silently aliased the option
3711                    // form to `te`'s Kronecker-sum penalty (gam#1185); key off
3712                    // the resolved type string as well so both routes build the
3713                    // separable penalty.
3714                    penalty_decomposition: if matches!(kind, SmoothKind::T2)
3715                        || type_opt.as_str() == "t2"
3716                    {
3717                        TensorBSplinePenaltyDecomposition::Separable
3718                    } else {
3719                        TensorBSplinePenaltyDecomposition::MarginalKroneckerSum
3720                    },
3721                },
3722            })
3723        }
3724        "pca" => {
3725            validate_known_options(
3726                "pca",
3727                options,
3728                &[
3729                    "type",
3730                    "bs",
3731                    "by",
3732                    "k",
3733                    "basis_dim",
3734                    "basis-dim",
3735                    "basisdim",
3736                    "lazy_path",
3737                    "path",
3738                    "pca_basis_path",
3739                    "chunk_size",
3740                    "smooth_penalty",
3741                    "centered",
3742                    "double_penalty",
3743                    "id",
3744                    "__by_col",
3745                ],
3746            )?;
3747            let path = options
3748                .get("lazy_path")
3749                .or_else(|| options.get("pca_basis_path"))
3750                .or_else(|| options.get("path"))
3751                .map(|raw| PathBuf::from(strip_quotes(raw)));
3752            let Some(path) = path else {
3753                return Err(TermBuilderError::incompatible_config(
3754                    "pca smooth requires lazy_path=... on the formula path",
3755                )
3756                .to_string());
3757            };
3758            let k = option_usize_any(options, &["k", "basis_dim", "basis-dim", "basisdim"])
3759                .unwrap_or(0);
3760            let chunk_size = option_usize(options, "chunk_size").unwrap_or(DEFAULT_PCA_CHUNK_SIZE);
3761            Ok(SmoothBasisSpec::Pca {
3762                feature_cols: cols.to_vec(),
3763                basis_matrix: Array2::<f64>::zeros((cols.len(), k)),
3764                centered: option_bool(options, "centered").unwrap_or(true),
3765                smooth_penalty: option_f64(options, "smooth_penalty").unwrap_or(1.0),
3766                center_mean: None,
3767                pca_basis_path: Some(path),
3768                chunk_size,
3769            })
3770        }
3771        other => Err(TermBuilderError::unsupported_feature(format!(
3772            "unsupported smooth type '{other}'"
3773        ))
3774        .to_string()),
3775    }
3776}
3777
3778/// Initialise per-axis anisotropic log-scales on eligible spatial smooth specs.
3779pub fn enable_scale_dimensions(spec: &mut TermCollectionSpec) {
3780    for smooth in spec.smooth_terms.iter_mut() {
3781        // A multi-axis thin-plate term cannot carry per-axis anisotropy on its
3782        // single curvature penalty, so `scale_dimensions` was historically a
3783        // silent no-op for `bs="tp"` (gam#1676). Rewrite it to the
3784        // mathematically-equivalent anisotropic s=0 Duchon spline first; the
3785        // Duchon arm below then sees an already-seeded `aniso_log_scales` and
3786        // leaves it untouched.
3787        promote_thin_plate_for_scale_dimensions(&mut smooth.basis);
3788        match &mut smooth.basis {
3789            SmoothBasisSpec::Matern {
3790                feature_cols,
3791                spec: matern,
3792                ..
3793            } => {
3794                if matern.aniso_log_scales.is_none() {
3795                    let d = feature_cols.len();
3796                    matern.aniso_log_scales = Some(vec![0.0; d]);
3797                }
3798            }
3799            SmoothBasisSpec::Duchon {
3800                feature_cols,
3801                spec: duchon,
3802                ..
3803            } => {
3804                if duchon.aniso_log_scales.is_none() {
3805                    let d = feature_cols.len();
3806                    duchon.aniso_log_scales = Some(vec![0.0; d]);
3807                }
3808            }
3809            _ => {}
3810        }
3811    }
3812}
3813
3814/// Rewrite a multi-axis thin-plate term into the mathematically-equivalent
3815/// anisotropic s=0 Duchon spline so that `scale_dimensions` genuinely engages
3816/// (gam#1676).
3817///
3818/// ## Why a rewrite rather than a new field on the TPS builder
3819///
3820/// A canonical thin-plate regression spline carries a *single* curvature
3821/// penalty — the exact `∫|Dᵐ f|²` reproducing-kernel Gram. That penalty has no
3822/// per-axis structure to make one direction more or less relevant than another,
3823/// so per-axis anisotropy (`scale_dimensions`) cannot be expressed on it. The
3824/// flag was therefore a silent no-op for `bs="tp"` while it engaged for
3825/// `duchon()`/`matern()`.
3826///
3827/// The thin-plate kernel `r^{2m−d}` (the `r²·log r` log-case in even `d`) is
3828/// *exactly* the s=0 Duchon kernel (`DuchonBasisSpec::power = 0`,
3829/// `length_scale = None`) at the matching polynomial null-space order
3830/// `m = thin_plate_penalty_order(d)`. The Duchon polyharmonic family already
3831/// carries the per-axis tension ARD that `scale_dimensions` requests: its
3832/// isotropic first-order roughness penalty `Σ‖∇f‖²` splits into `d` directional
3833/// penalties `Σ(∂f/∂x_a)²`, each with its own REML `λ_a`
3834/// (`duchon_operator_penalty_candidates`). So the well-posed *anisotropic
3835/// thin-plate spline is the anisotropic s=0 Duchon spline*. Rewriting to that
3836/// representation reuses the battle-tested Duchon anisotropy / ψ-derivative /
3837/// freeze / predict machinery instead of duplicating it onto the TPS metadata
3838/// path, and keeps the polyharmonic family internally consistent. The codebase
3839/// already promotes infeasible-`k` TPS to Duchon for the same reason (the
3840/// canonical TPS single curvature penalty cannot deliver a requested
3841/// capability); per-axis anisotropy is another such capability.
3842///
3843/// This fires *only* when the user opts into `scale_dimensions`; the default
3844/// thin-plate path (`scale_dimensions` off) is left bit-for-bit unchanged.
3845/// A 1-D thin-plate term is left untouched — anisotropy is meaningless on a
3846/// single axis (its `Σ η = 0` contrast vector is empty), exactly as for a 1-D
3847/// Matérn/Duchon term.
3848fn promote_thin_plate_for_scale_dimensions(basis: &mut SmoothBasisSpec) {
3849    let SmoothBasisSpec::ThinPlate {
3850        feature_cols,
3851        spec,
3852        input_scale,
3853    } = &*basis
3854    else {
3855        return;
3856    };
3857    let d = feature_cols.len();
3858    if d <= 1 {
3859        return;
3860    }
3861    // m = thin_plate_penalty_order(d) is the TPS penalty order; the Duchon
3862    // null-space order naming is `Zero → m=1`, `Linear → m=2`,
3863    // `Degree(g) → m=g+1`, so the s=0 Duchon kernel exponent
3864    // `2(p+s) − d = 2m − d` reproduces the TPS kernel exactly.
3865    let m = thin_plate_penalty_order(d);
3866    let nullspace_order = match m {
3867        0 | 1 => DuchonNullspaceOrder::Zero,
3868        2 => DuchonNullspaceOrder::Linear,
3869        _ => DuchonNullspaceOrder::Degree(m - 1),
3870    };
3871    let duchon_spec = DuchonBasisSpec {
3872        center_strategy: spec.center_strategy.clone(),
3873        periodic: spec.periodic.clone(),
3874        // Pure, scale-free Duchon — the thin-plate kernel has no length scale
3875        // (a global TPS kernel scale is non-identifiable once REML learns the
3876        // smoothing penalty: gam#718/#721/#731/#732). The per-axis relevance
3877        // the user asked for is carried by the tension-ARD `λ_a`, not a κ axis.
3878        length_scale: None,
3879        // s = 0  ⇒  thin-plate kernel `r^{2m−d}`.
3880        power: 0.0,
3881        nullspace_order,
3882        identifiability: spec.identifiability.clone(),
3883        // All-zero geometry seed sentinel: `auto_seed_aniso_contrasts` resolves
3884        // it from the (standardized) knot cloud, and the per-axis tension split
3885        // engages on `aniso.is_some()`.
3886        aniso_log_scales: Some(vec![0.0; d]),
3887        operator_penalties: DuchonOperatorPenaltySpec::default(),
3888        boundary: OneDimensionalBoundary::Open,
3889        radial_reparam: None,
3890    };
3891    let feature_cols = feature_cols.clone();
3892    let input_scale = *input_scale;
3893    // All borrows of `*basis` (the `&*basis` destructure above) end with the
3894    // clones on the two preceding lines, so the reassignment is sound.
3895    *basis = SmoothBasisSpec::Duchon {
3896        feature_cols,
3897        spec: duchon_spec,
3898        input_scale,
3899    };
3900}
3901
3902// ---------------------------------------------------------------------------
3903// Data-aware helpers
3904// ---------------------------------------------------------------------------
3905
3906pub fn spatial_center_strategy_for_dimension(num_centers: usize, d: usize) -> CenterStrategy {
3907    if d <= 3 {
3908        // In low-dimensional spatial smooths, an explicit `k` is a resolution
3909        // request rather than a request for marginal quantile-midpoint centers.
3910        // Use deterministic maximin geometry so Matérn/GP and Duchon REML see a
3911        // well-resolved native kernel block with small fill distance instead of
3912        // compensating for holes or endpoint under-resolution by over-smoothing
3913        // low-noise signals (#504).
3914        CenterStrategy::FarthestPoint { num_centers }
3915    } else {
3916        default_spatial_center_strategy(num_centers, d)
3917    }
3918}
3919
3920/// Center geometry for a non-periodic Duchon smooth.
3921///
3922/// In one dimension the represented domain is the interval between the observed
3923/// extrema.  Equally spaced centers are the exact minimax design for that
3924/// interval: among all `k`-point center sets they minimize the largest uncovered
3925/// gap.  Greedy farthest-point sampling instead produces a dyadic mesh whose
3926/// partially filled final level clusters centers and leaves wider holes whenever
3927/// `k` is not a power-of-two refinement.  Those holes reduce the effective
3928/// resolution of an explicit `k` and caused the low-noise k=20 Duchon fit to miss
3929/// the mature-smoother accuracy bar despite having the same basis dimension.
3930///
3931/// Multidimensional Duchon terms keep the rotation-equivariant farthest-point /
3932/// equal-mass strategies, where there is no canonical coordinate-aligned grid.
3933/// The `Auto` wrapper is retained for inferred 1-D counts so adaptive resolution
3934/// can still resize the interval grid before freezing its realized centers.
3935fn duchon_center_strategy(num_centers: usize, d: usize, automatic: bool) -> CenterStrategy {
3936    let realized = if d == 1 {
3937        CenterStrategy::UniformGrid {
3938            points_per_dim: num_centers,
3939        }
3940    } else {
3941        spatial_center_strategy_for_dimension(num_centers, d)
3942    };
3943    if automatic {
3944        CenterStrategy::Auto(Box::new(realized))
3945    } else {
3946        realized
3947    }
3948}
3949
3950pub fn col_minmax(col: ArrayView1<'_, f64>) -> Result<(f64, f64), String> {
3951    let min = col.iter().fold(f64::INFINITY, |a, &b| a.min(b));
3952    let max = col.iter().fold(f64::NEG_INFINITY, |a, &b| a.max(b));
3953    if !min.is_finite() || !max.is_finite() {
3954        return Err(TermBuilderError::degenerate_data(
3955            "non-finite data encountered while inferring knot range",
3956        )
3957        .to_string());
3958    }
3959    if (max - min).abs() < 1e-12 {
3960        Ok((min, min + 1e-6))
3961    } else {
3962        Ok((min, max))
3963    }
3964}
3965
3966pub fn unique_count_column(col: ArrayView1<'_, f64>) -> usize {
3967    use std::collections::HashSet;
3968    let mut set = HashSet::<u64>::with_capacity(col.len());
3969    for &v in col {
3970        set.insert(gam_data::canonical_level_bits(v));
3971    }
3972    set.len().max(1)
3973}
3974
3975/// Minimum knot count for a natural cubic regression spline: `select_cr_knots`
3976/// places one value-knot per basis function and needs at least an interior knot,
3977/// so the sparsest representable cr basis is `{const, linear, curvature}` at
3978/// three knots. Below this a cr spline is not constructible and the caller must
3979/// degrade to the linear B-spline marginal.
3980pub(crate) const CR_MIN_KNOTS: usize = 3;
3981
3982/// Build a cubic-regression marginal knot spec capped to the covariate's data
3983/// support, mgcv-style.
3984///
3985/// A `cr`/`cs`/`sz` marginal places exactly one basis function per value-knot,
3986/// so `select_cr_knots` cannot place more knots than the covariate has DISTINCT
3987/// values — it `bail`s with "cubic regression spline with k=N requires at least
3988/// N distinct values" otherwise. An unclamped `k` on an ordinary low-cardinality
3989/// covariate (a binary indicator, a 3-level ordinal/Likert score, a small count)
3990/// therefore hard-failed the whole fit instead of reducing the basis the way
3991/// mgcv — and gam's own tensor-margin path (996f829d7, `term_builder.rs:2986` /
3992/// the `k_axis >= 3` cr gate at `:3047`) — do. This is the univariate / factor-
3993/// smooth sibling of that tensor cap (#1541, #1542).
3994///
3995/// Returns:
3996/// - `Some(NaturalCubicRegression { .. })` with `k = min(k_requested, n_distinct)`
3997///   value-knots when the data supports a cr spline (`n_distinct >= CR_MIN_KNOTS`).
3998///   A cr basis of exactly `n_distinct` knots is full-rank for the data — it can
3999///   represent any per-distinct-value structure (e.g. 3 arbitrary group means on
4000///   a ternary covariate) — so the cap never costs recoverable signal.
4001/// - `None` when `n_distinct < CR_MIN_KNOTS` (a binary covariate): too few
4002///   distinct values for ANY cr spline, so the caller degrades to the linear
4003///   B-spline marginal — exactly what the default `s(x, k=..)` basis already
4004///   builds on the same data, and what the tensor path's `< 3` branch builds.
4005///
4006/// `inference_notes` records any reduction so the user sees that `k` was capped
4007/// (mgcv emits a warning in the same situation).
4008fn capped_cr_marginal_knotspec(
4009    col: ArrayView1<'_, f64>,
4010    k_cr_requested: usize,
4011    label: &str,
4012    inference_notes: &mut Vec<String>,
4013) -> Result<Option<BSplineKnotSpec>, String> {
4014    let n_distinct = unique_count_column(col);
4015    let k_cr = k_cr_requested.min(n_distinct);
4016    if k_cr < CR_MIN_KNOTS {
4017        inference_notes.push(format!(
4018            "Smooth '{label}': cubic-regression ('cr'/'cs'/'sz') basis requested k={k_cr_requested}, \
4019             but the covariate has only {n_distinct} distinct value(s) — too few to support a cubic \
4020             regression spline (needs >= {CR_MIN_KNOTS} distinct values). Degraded to the linear \
4021             B-spline marginal the default basis builds on the same data."
4022        ));
4023        return Ok(None);
4024    }
4025    if k_cr < k_cr_requested {
4026        inference_notes.push(format!(
4027            "Smooth '{label}': cubic-regression ('cr'/'cs'/'sz') basis reduced from k={k_cr_requested} \
4028             to k={k_cr} to match the covariate's {n_distinct} distinct value(s) (mgcv-style \
4029             data-support cap; a cr basis cannot place more value-knots than the data has)."
4030        ));
4031    }
4032    let cr_knots = crate::basis::select_cr_knots(col, k_cr).map_err(|e| e.to_string())?;
4033    Ok(Some(BSplineKnotSpec::NaturalCubicRegression {
4034        knots: cr_knots,
4035    }))
4036}
4037
4038/// Smallest number of distinct covariate values seen within any single group
4039/// of `group_col`. For a factor smooth this is the resolution that bounds the
4040/// marginal basis: a group with `m` distinct covariate values can only inform
4041/// `m` basis coefficients, so a marginal richer than that interpolates the
4042/// group instead of estimating a penalized trend. Bits are compared exactly so
4043/// integer-valued covariates (days, dose levels) collapse to their true count.
4044fn min_per_group_unique_count(
4045    feature_col: ArrayView1<'_, f64>,
4046    group_col: ArrayView1<'_, f64>,
4047) -> usize {
4048    use std::collections::{HashMap, HashSet};
4049    let mut per_group: HashMap<u64, HashSet<u64>> = HashMap::new();
4050    for (xi, gi) in feature_col.iter().zip(group_col.iter()) {
4051        per_group
4052            .entry(gam_data::canonical_level_bits(*gi))
4053            .or_default()
4054            .insert(gam_data::canonical_level_bits(*xi));
4055    }
4056    per_group
4057        .values()
4058        .map(|s| s.len())
4059        .min()
4060        .unwrap_or(1)
4061        .max(1)
4062}
4063
4064/// Default internal-knot count for an *additive* univariate smooth, derived
4065/// from the column's unique-value count.
4066///
4067/// The basis dimension is `internal_knots + degree + 1`, so the cap below maps
4068/// to a default cubic basis of ~12 functions — deliberately close to mgcv's
4069/// univariate default (`k = 10`). A penalized smooth controls its wiggliness
4070/// through the *penalty*, not the basis size: REML/LAML shrinks a too-rich
4071/// basis toward the null, but it cannot do so cleanly when the basis is so
4072/// over-sized that the design becomes weakly identified. Growing the basis with
4073/// `n` (the old `n^(1/3)`-ceilinged `unique/4` rule, which pinned to 20 internal
4074/// knots ⇒ a 24-function basis for any column with ≥80 unique values) therefore
4075/// *hurts* recovery on finite, weak-signal fits: a 4-smooth additive model on
4076/// n=120 asks for ~92 coefficients, the outer optimizer stalls on the resulting
4077/// flat two-penalty (range + null-space) REML surface, and the truth leaks into
4078/// surplus columns the penalty can't shrink away (gam#1680; the same defect was
4079/// documented for thin-plate fields in gam#1074). A k-sweep on the #1680 design
4080/// confirms a basis of ~10–15 recovers truth at RMSE ≈ 0.12 while the old
4081/// 24-function default lands at ≈ 0.39 (~3× worse) — *whether or not* the
4082/// covariates are collinear, so this is basis over-richness, not collinearity.
4083///
4084/// The cap is flat in `n`: a user who genuinely needs a wigglier fit raises `k`
4085/// explicitly (mgcv's contract — opt *in* to more flexibility), and the SPEC
4086/// requires the default to allow recovering the null rather than forcing the
4087/// user to opt out of overfitting. The 4-knot floor stays put because we still
4088/// need enough basis functions to fit a non-trivial smooth at all, and the
4089/// `unique/4` growth below the cap keeps small/sparse columns (n ≤ 32, where
4090/// `unique/4 ≤ 8`) on exactly their previous knot count.
4091pub fn heuristic_knots_for_column(col: ArrayView1<'_, f64>) -> usize {
4092    /// Default cubic basis ≈ `MAX_DEFAULT_INTERNAL_KNOTS + degree + 1` = 12
4093    /// functions, matching mgcv's lean univariate default.
4094    const MAX_DEFAULT_INTERNAL_KNOTS: usize = 8;
4095    let unique = unique_count_column(col);
4096    (unique / 4).clamp(4, MAX_DEFAULT_INTERNAL_KNOTS)
4097}
4098
4099/// Per-margin basis sizes for a tensor-product smooth (`te`/`ti`/`t2`).
4100///
4101/// The 1-D heuristic [`heuristic_knots_for_column`] is calibrated for an
4102/// *additive* margin: a well-resolved column asks for the lean univariate
4103/// default (≈12 basis functions, the mgcv-like cap of 8 internal knots; see
4104/// gam#1680), which is sensible for a single `s(x)` term.
4105/// A tensor product, however, multiplies the per-margin sizes:
4106/// `p = ∏_d k_d`. Reusing the 1-D rule per margin makes `p` explode with the
4107/// tensor dimension — a 3-D `te(x,y,z)` at the 1-D ceiling of 12/margin is
4108/// `12³ ≈ 1728` columns, and every REML evaluation pays an O(p³) dense
4109/// penalty reparameterization (the full-tensor sum-to-zero constraint is not
4110/// Kronecker-factorable), turning model selection over tensor candidates into
4111/// a multi-minute single-threaded stall (gam#813). It also requests far more
4112/// coefficients than the data can identify whenever `p ≫ n`.
4113///
4114/// mgcv's `te(...)` uses a small per-margin default (`k = 5`, i.e. `5^d`).
4115/// We match that spirit while staying data-adaptive: budget the *total* tensor
4116/// column count `p_target` and distribute it geometrically across the margins
4117/// so `∏ k_d ≈ p_target`, never asking a margin for more functions than its
4118/// own unique values (and the data set) can support.
4119fn heuristic_tensor_margin_knots(cols: &[usize], ds: &Dataset) -> Vec<usize> {
4120    let d = cols.len().max(1);
4121    let degree = DEFAULT_BSPLINE_DEGREE;
4122    let min_k = degree + 2; // smallest margin that carries a difference penalty
4123    let n = ds.values.nrows();
4124
4125    // Per-margin 1-D ceiling: never request more basis functions than the
4126    // margin's own resolution (unique values) supports. This caps each axis
4127    // independently before the joint budget is applied.
4128    let per_margin_cap: Vec<usize> = cols
4129        .iter()
4130        .map(|&c| heuristic_knots_for_column(ds.values.column(c)).max(min_k))
4131        .collect();
4132
4133    // Total-basis budget. A tensor with ∏k ≫ n coefficients is rank-deficient
4134    // and pure REML cost; cap the product at a generous fraction of n while
4135    // honoring mgcv's small default for the common small-d case. The budget
4136    // grows with n but the geometric split below keeps each margin modest.
4137    //   d=2 → up to ~7²=49 (mgcv-`te`-like), d=3 → ~5³=125, larger d shrinks
4138    // per-margin further so the product never blows past the data support.
4139    let mgcv_like_per_margin = match d {
4140        2 => 7usize,
4141        3 => 5usize,
4142        _ => 4usize,
4143    };
4144    let mgcv_like_total = (mgcv_like_per_margin as f64).powi(d as i32);
4145    let data_budget = (n as f64) * 0.8;
4146    let p_target = mgcv_like_total
4147        .max(min_k.pow(d as u32) as f64)
4148        .min(data_budget);
4149
4150    // Geometric per-margin target so ∏k ≈ p_target, then clamp each margin to
4151    // its own 1-D resolution cap and the difference-penalty floor.
4152    let geo_per_margin = p_target.powf(1.0 / d as f64).round() as usize;
4153    let unclamped: Vec<usize> = per_margin_cap
4154        .iter()
4155        .map(|&cap| geo_per_margin.clamp(min_k, cap))
4156        .collect();
4157
4158    // The per-margin clamps can pull some axes below `geo_per_margin` (a
4159    // low-resolution column), leaving headroom in the joint budget. Redistribute
4160    // that headroom to the margins that can still grow, so the realized ∏k stays
4161    // close to p_target instead of systematically under-shooting it.
4162    let mut k_list = unclamped;
4163    loop {
4164        let product: f64 = k_list.iter().map(|&k| k as f64).product();
4165        if product >= p_target {
4166            break;
4167        }
4168        // Grow the axis with the most remaining headroom (cap − current),
4169        // breaking ties toward the largest cap. Stop when none can grow.
4170        let Some(idx) = k_list
4171            .iter()
4172            .zip(per_margin_cap.iter())
4173            .enumerate()
4174            .filter(|&(_, (k, cap))| k < cap)
4175            .max_by_key(|&(_, (k, cap))| (cap - k, *cap))
4176            .map(|(i, _)| i)
4177        else {
4178            break;
4179        };
4180        k_list[idx] += 1;
4181    }
4182    k_list
4183}
4184
4185pub fn heuristic_centers(n: usize, d: usize) -> usize {
4186    default_num_centers(n, d)
4187}
4188
4189// ---------------------------------------------------------------------------
4190// Smooth option parsers
4191// ---------------------------------------------------------------------------
4192
4193fn parse_endpoint_side(
4194    value: &str,
4195    context: &str,
4196) -> Result<BSplineEndpointBoundaryCondition, String> {
4197    match value.trim().to_ascii_lowercase().as_str() {
4198        "" | "none" | "open" | "unconstrained" | "free" => {
4199            Ok(BSplineEndpointBoundaryCondition::Free)
4200        }
4201        "clamped" | "clamp" | "zero_derivative" | "zero-derivative" => {
4202            Ok(BSplineEndpointBoundaryCondition::Clamped)
4203        }
4204        "anchored" | "anchor" | "zero" | "zero_value" | "zero-value" => {
4205            Ok(BSplineEndpointBoundaryCondition::Anchored { value: 0.0 })
4206        }
4207        other => Err(format!(
4208            "unsupported {context} boundary condition '{other}'; expected free, clamped, or anchored"
4209        )),
4210    }
4211}
4212
4213fn boundary_anchor_value(
4214    options: &BTreeMap<String, String>,
4215    side: &str,
4216    fallback: Option<f64>,
4217) -> Option<f64> {
4218    [
4219        format!("anchor_{side}"),
4220        format!("{side}_anchor"),
4221        format!("anchor-value-{side}"),
4222    ]
4223    .iter()
4224    .find_map(|key| option_f64(options, key))
4225    .or(fallback)
4226}
4227
4228fn apply_anchor_value(
4229    cond: BSplineEndpointBoundaryCondition,
4230    value: Option<f64>,
4231) -> BSplineEndpointBoundaryCondition {
4232    match cond {
4233        BSplineEndpointBoundaryCondition::Anchored { .. } => {
4234            BSplineEndpointBoundaryCondition::Anchored {
4235                value: value.unwrap_or(0.0),
4236            }
4237        }
4238        other => other,
4239    }
4240}
4241
4242fn parse_bspline_boundary_conditions(
4243    options: &BTreeMap<String, String>,
4244) -> Result<BSplineBoundaryConditions, String> {
4245    let fallback_anchor = option_f64(options, "anchor")
4246        .or_else(|| option_f64(options, "anchor_value"))
4247        .or_else(|| option_f64(options, "value"));
4248    let global_boundary_conditions = options
4249        .get("boundary_conditions")
4250        .or_else(|| options.get("bc"));
4251    let mut boundary_conditions = BSplineBoundaryConditions::default();
4252
4253    if let Some(raw_boundary_conditions) = global_boundary_conditions {
4254        let cond = parse_endpoint_side(raw_boundary_conditions, "boundary_conditions")?;
4255        let side = options
4256            .get("side")
4257            .map(|s| s.trim().to_ascii_lowercase())
4258            .unwrap_or_else(|| "both".to_string());
4259        match side.as_str() {
4260            "both" | "all" | "endpoints" => {
4261                boundary_conditions.left = cond;
4262                boundary_conditions.right = cond;
4263            }
4264            "left" | "start" | "lower" => boundary_conditions.left = cond,
4265            "right" | "end" | "upper" => boundary_conditions.right = cond,
4266            other => {
4267                return Err(format!(
4268                    "unsupported B-spline boundary side '{other}'; expected left, right, or both"
4269                ));
4270            }
4271        }
4272    }
4273
4274    if let Some(raw) = options
4275        .get("bc_left")
4276        .or_else(|| options.get("left_bc"))
4277        .or_else(|| options.get("bc_start"))
4278        .or_else(|| options.get("start_bc"))
4279    {
4280        boundary_conditions.left = parse_endpoint_side(raw, "left endpoint")?;
4281    }
4282    if let Some(raw) = options
4283        .get("bc_right")
4284        .or_else(|| options.get("right_bc"))
4285        .or_else(|| options.get("bc_end"))
4286        .or_else(|| options.get("end_bc"))
4287    {
4288        boundary_conditions.right = parse_endpoint_side(raw, "right endpoint")?;
4289    }
4290
4291    boundary_conditions.left = apply_anchor_value(
4292        boundary_conditions.left,
4293        boundary_anchor_value(options, "left", fallback_anchor),
4294    );
4295    boundary_conditions.right = apply_anchor_value(
4296        boundary_conditions.right,
4297        boundary_anchor_value(options, "right", fallback_anchor),
4298    );
4299
4300    Ok(boundary_conditions)
4301}
4302
4303/// Resolve the requested internal-knot count and effective spline degree for
4304/// a 1-D penalized B-spline smooth. This mirrors the tensor-margin per-axis
4305/// degree-reduction policy: a 1-D B-spline basis with `k` functions
4306/// is well-defined for any `degree <= k - 1`, so an explicit
4307/// `s(x, bs="ps", k=3)` with default `degree=3` is interpreted as the
4308/// largest representable spline (`effective_degree = k - 1 = 2`, quadratic)
4309/// rather than rejected. The `penalty_order` carried by the caller must be
4310/// clamped to `<= effective_degree` so the marginal difference penalty
4311/// stays well-defined; the returned `effective_degree` makes that explicit.
4312///
4313/// Mirrors the tensor margin treatment in the `te(...)` builder so a
4314/// standalone smooth, a factor smooth, and a tensor margin all interpret
4315/// "small k" the same way.
4316fn parse_ps_internal_knots(
4317    options: &BTreeMap<String, String>,
4318    degree: usize,
4319    default_internal_knots: usize,
4320) -> Result<(usize, bool, usize), String> {
4321    const MIN_EXPRESSIVE_INTERNAL_KNOTS: usize = 2;
4322    // Strict variants: reject `k=-1`, `k=1.5`, `knots=-2` etc. with a
4323    // focused error instead of silently dropping the value and using the
4324    // default. Lenient `option_usize` / `option_usize_any` silently swallow
4325    // unparseable values, which leaves the user thinking they configured
4326    // something when they did not.
4327    // A list-valued `knots=[...]` carries explicit internal positions, not a
4328    // count; it is consumed by `parse_explicit_internal_knots`. Treat it as
4329    // "count not specified" here so the strict integer parse does not reject
4330    // the bracketed value (the Provided path ignores the returned count).
4331    let knots_internal = if knots_option_is_list(options) {
4332        None
4333    } else {
4334        option_usize_strict(options, "knots")?
4335    };
4336    let basis_dim = option_usize_any_strict(options, &["k", "basis_dim", "basis-dim", "basisdim"])?;
4337    if knots_internal.is_some() && basis_dim.is_some() {
4338        return Err(TermBuilderError::incompatible_config(
4339            "ps/bspline smooth: specify either knots=<internal_knots> or k=<basis_dim> (not both)",
4340        )
4341        .to_string());
4342    }
4343    if let Some(k) = basis_dim {
4344        if k < 2 {
4345            return Err(TermBuilderError::invalid_option(format!(
4346                "ps/bspline smooth: k={} too small; B-spline basis requires k >= 2",
4347                k
4348            ))
4349            .to_string());
4350        }
4351        // `degree <= k - 1` is required for the B-spline basis to be
4352        // well-defined; reduce on this axis only when the user asked for
4353        // a smaller k than the cubic default supports. This matches mgcv's
4354        // behaviour (e.g. `s(x, bs="ps", k=3)` becomes a quadratic basis)
4355        // and the per-axis reduction the tensor builder already does.
4356        let effective_degree = degree.min(k - 1).max(1);
4357        let num_internal_knots = if effective_degree < degree {
4358            // Reproduce the requested basis size exactly when degree was
4359            // reduced for a low-cardinality axis: num_basis = k.
4360            k.saturating_sub(effective_degree + 1)
4361        } else {
4362            (k - degree - 1).max(MIN_EXPRESSIVE_INTERNAL_KNOTS)
4363        };
4364        Ok((num_internal_knots, false, effective_degree))
4365    } else {
4366        Ok((
4367            knots_internal.unwrap_or(default_internal_knots),
4368            knots_internal.is_none(),
4369            degree,
4370        ))
4371    }
4372}
4373
4374/// True when the `knots` option value is a *list* literal (`[...]`, `c(...)`,
4375/// or `(...)`) rather than a scalar count. mgcv's `knots=` accepts both: a
4376/// single integer is an internal-knot count, while a vector is explicit
4377/// internal knot positions. We disambiguate purely on the wrapper syntax so a
4378/// bare `knots=5` keeps its historical count meaning.
4379fn knots_option_is_list(options: &BTreeMap<String, String>) -> bool {
4380    options
4381        .get("knots")
4382        .map(|raw| {
4383            let t = raw.trim();
4384            t.starts_with('[') || t.starts_with("c(") || t.starts_with("C(") || t.starts_with('(')
4385        })
4386        .unwrap_or(false)
4387}
4388
4389/// Parse `knots=[k0, k1, ...]` (or `c(...)` / `(...)`) into explicit internal
4390/// knot positions. Returns `Ok(None)` when `knots` is absent or a scalar count
4391/// (handled by [`parse_ps_internal_knots`]); `Ok(Some(positions))` when it is a
4392/// non-empty numeric list; and an error for an empty or unparseable list.
4393fn parse_explicit_internal_knots(
4394    options: &BTreeMap<String, String>,
4395) -> Result<Option<Vec<f64>>, String> {
4396    if !knots_option_is_list(options) {
4397        return Ok(None);
4398    }
4399    let raw = options
4400        .get("knots")
4401        .expect("knots_option_is_list implies the key is present");
4402    let tokens = split_list_option(raw);
4403    if tokens.is_empty() {
4404        return Err(TermBuilderError::invalid_option(format!(
4405            "knots={raw} is an empty list; supply at least one internal knot position \
4406             (e.g. knots=[0.2, 0.5, 0.8]) or a scalar count (e.g. knots=8)"
4407        ))
4408        .to_string());
4409    }
4410    let mut positions = Vec::with_capacity(tokens.len());
4411    for tok in &tokens {
4412        let value = parse_numeric_expr(tok).map_err(|err| {
4413            TermBuilderError::invalid_option(format!(
4414                "knots list entry '{tok}' is not a numeric position: {err}"
4415            ))
4416            .to_string()
4417        })?;
4418        positions.push(value);
4419    }
4420    Ok(Some(positions))
4421}
4422
4423/// Resolve the `knot_placement=` option for an automatically generated knot
4424/// vector. Accepts `"uniform"` (the default, equal spacing on the data range)
4425/// and `"quantile"` (interior knots at empirical data quantiles, better for
4426/// skewed covariates). Unknown values are rejected so typos do not silently
4427/// fall back to uniform.
4428fn parse_knot_placement(
4429    options: &BTreeMap<String, String>,
4430) -> Result<crate::basis::BSplineKnotPlacement, String> {
4431    use crate::basis::BSplineKnotPlacement;
4432    match options
4433        .get("knot_placement")
4434        .or_else(|| options.get("knot-placement"))
4435        .or_else(|| options.get("knotplacement"))
4436    {
4437        None => Ok(BSplineKnotPlacement::Uniform),
4438        Some(raw) => match raw
4439            .trim()
4440            .trim_matches('"')
4441            .trim_matches('\'')
4442            .to_ascii_lowercase()
4443            .as_str()
4444        {
4445            "uniform" | "even" | "equal" => Ok(BSplineKnotPlacement::Uniform),
4446            "quantile" | "quantiles" | "data" | "empirical" => Ok(BSplineKnotPlacement::Quantile),
4447            other => Err(TermBuilderError::invalid_option(format!(
4448                "knot_placement={other} is not recognised; expected \"uniform\" or \"quantile\""
4449            ))
4450            .to_string()),
4451        },
4452    }
4453}
4454
4455/// Build the non-periodic 1D B-spline knot spec for the `ps`/`bspline` and
4456/// factor-smooth marginal paths, honoring (in priority order):
4457///   1. `knots=[...]` explicit internal positions  → [`BSplineKnotSpec::Provided`]
4458///   2. `knot_placement="quantile"`                 → [`BSplineKnotSpec::Automatic`]
4459///   3. uniform generation                          → [`BSplineKnotSpec::Generate`]
4460///
4461/// `data` is the covariate column (used to clamp explicit positions to the
4462/// observed range and to drive quantile placement); `n_knots` is the resolved
4463/// internal-knot count from [`parse_ps_internal_knots`] used for the automatic
4464/// strategies.
4465fn resolve_nonperiodic_bspline_knotspec(
4466    options: &BTreeMap<String, String>,
4467    data: ArrayView1<'_, f64>,
4468    data_range: (f64, f64),
4469    degree: usize,
4470    n_knots: usize,
4471) -> Result<BSplineKnotSpec, String> {
4472    use crate::basis::{BSplineKnotPlacement, clamped_knot_vector_from_internal_positions};
4473    if let Some(positions) = parse_explicit_internal_knots(options)? {
4474        if option_usize_any_strict(options, &["k", "basis_dim", "basis-dim", "basisdim"])?.is_some()
4475        {
4476            return Err(TermBuilderError::incompatible_config(
4477                "ps/bspline smooth: specify either explicit knots=[...] positions or \
4478                 k=<basis_dim> (not both); the basis size is fixed by the knot vector",
4479            )
4480            .to_string());
4481        }
4482        let knots = clamped_knot_vector_from_internal_positions(data_range, &positions, degree)
4483            .map_err(|e| e.to_string())?;
4484        return Ok(BSplineKnotSpec::Provided(knots));
4485    }
4486    match parse_knot_placement(options)? {
4487        BSplineKnotPlacement::Uniform => Ok(BSplineKnotSpec::Generate {
4488            data_range,
4489            num_internal_knots: n_knots,
4490        }),
4491        BSplineKnotPlacement::Quantile => {
4492            // Validate the column up-front so an unfittable request surfaces a
4493            // user-correctable error at parse time rather than deep in basis
4494            // construction. The same data drives the eventual quantile knots.
4495            crate::basis::auto_knot_vector_1d_quantile(data, n_knots, degree)
4496                .map_err(|e| e.to_string())?;
4497            Ok(BSplineKnotSpec::Automatic {
4498                num_internal_knots: Some(n_knots),
4499                placement: BSplineKnotPlacement::Quantile,
4500            })
4501        }
4502    }
4503}
4504
4505/// Reject unknown option keys with a focused error that names the term and
4506/// the offending key, plus suggests near-matches from the known-key list.
4507/// Without this, typos like `lengt_scale=0.1` or `nyu=5/2` are silently
4508/// dropped, the term uses the default, and the user has no idea why their
4509/// option had no effect.
4510pub fn validate_known_options(
4511    term_name: &str,
4512    options: &BTreeMap<String, String>,
4513    known: &[&str],
4514) -> Result<(), String> {
4515    let known_set: std::collections::BTreeSet<&&str> = known.iter().collect();
4516    for key in options.keys() {
4517        if !known_set.contains(&key.as_str()) {
4518            if term_name == "tensor" && is_tensor_k_axis_option_key(key) {
4519                continue;
4520            }
4521            // Suggest near-matches (substring or shared prefix ≥ 3).
4522            let key_l = key.to_ascii_lowercase();
4523            let mut suggestions: Vec<&str> = known
4524                .iter()
4525                .filter(|k| {
4526                    let kl = k.to_ascii_lowercase();
4527                    kl.contains(&key_l) || key_l.contains(&kl) || {
4528                        let n = kl
4529                            .chars()
4530                            .zip(key_l.chars())
4531                            .take_while(|(a, b)| a == b)
4532                            .count();
4533                        n >= 3
4534                    }
4535                })
4536                .copied()
4537                .collect();
4538            suggestions.sort_unstable();
4539            suggestions.dedup();
4540            let hint = if suggestions.is_empty() {
4541                String::new()
4542            } else {
4543                format!(" — did you mean one of [{}]?", suggestions.join(", "))
4544            };
4545            return Err(TermBuilderError::invalid_option(format!(
4546                "{term_name}() does not accept option `{key}`{hint}. Valid options: [{}]",
4547                {
4548                    let mut sorted = known.to_vec();
4549                    sorted.sort_unstable();
4550                    sorted.join(", ")
4551                }
4552            ))
4553            .to_string());
4554        }
4555    }
4556    Ok(())
4557}
4558
4559/// Private (engine-injected) option that caps the *default* spatial center
4560/// count for a secondary (distributional) predictor's smooth — see
4561/// `solver::fit_orchestration::apply_secondary_predictor_basis_parsimony` and #501.
4562///
4563/// It is deliberately NOT one of the user-facing count aliases recognised by
4564/// [`has_explicit_countwith_basis_alias`], so it never flips the spatial basis
4565/// onto the explicit (hard) center-placement strategy: the cap lowers the
4566/// *default* count while the `Auto` strategy is retained, so the count is still
4567/// softly reduced when the data can't support it.
4568pub const SECONDARY_CENTER_CAP_OPTION: &str = "__secondary_center_cap";
4569
4570/// Apply the secondary-predictor center cap to a *default* spatial center
4571/// count. A no-op when the cap option is absent (the common case) or when the
4572/// user supplied an explicit count (then `default_count` is ignored downstream
4573/// by [`parse_countwith_basis_alias`] anyway).
4574pub(crate) fn cap_default_spatial_centers(
4575    options: &BTreeMap<String, String>,
4576    default_count: usize,
4577) -> usize {
4578    match option_usize(options, SECONDARY_CENTER_CAP_OPTION) {
4579        Some(cap) => default_count.min(cap),
4580        None => default_count,
4581    }
4582}
4583
4584fn default_matern_center_count(
4585    n: usize,
4586    d: usize,
4587    planned_count: usize,
4588    univariate_floor: usize,
4589) -> usize {
4590    // #1074: the mgcv-sized basis cap (`k = 10·3^(d-1)`) was DELETED here too — it
4591    // masked the same over-sizing/under-penalization defect by shrinking the basis
4592    // rather than fixing the optimizer. The default now uses the generic n-scaling
4593    // plan. A small-n floor against a numerically-fragile two-column kernel block
4594    // is a legitimate degenerate guard and is kept. Explicit `k`/`centers` still
4595    // take full effect upstream.
4596    let low_n_floor = (d + 4).min(n);
4597    // #1867: at small n the generic conditioning cap (`n / COND_N_DIVISOR`) in
4598    // `default_num_centers` starves a 1-D radial basis BELOW the resolution the
4599    // univariate B-spline `s(x)` is handed on the SAME data (e.g. 7 vs 11 basis
4600    // functions at n=30), so `matern(x)`/`duchon(x)` over-smooth sparse
4601    // oscillations that `s(x)` recovers cleanly. Smoothness is set by the REML
4602    // penalty λ, not by the raw center count (see `default_num_centers`), so a
4603    // radial smooth competing with `s(x)` must not be dimensioned coarser than
4604    // it. `univariate_floor` carries that spline-equivalent resolution for a 1-D
4605    // smooth (0 for d>1, where there is no direct univariate analogue) and is
4606    // bounded by n. Explicit `k`/`centers` still override upstream.
4607    planned_count
4608        .max(low_n_floor)
4609        .max(univariate_floor.min(n))
4610        .max(1)
4611}
4612
4613fn default_duchon_center_count(
4614    n: usize,
4615    d: usize,
4616    planned_count: usize,
4617    polynomial_cols: usize,
4618    univariate_floor: usize,
4619) -> usize {
4620    // #1757: Duchon fits pay a larger setup cost than Matérn/TPS because the
4621    // constrained radial block is rotated through its center Gram and several
4622    // operator-collocation penalties.  The old generic spatial default handed a
4623    // 2-D Gaussian Duchon at n≈500 more than one hundred centers, so cold fits
4624    // spent most of their time in dense O(k³) eigensolves even though the REML
4625    // smoother uses a low-rank basis.  mgcv's Duchon spline default is the
4626    // thin-plate-style `k = 10 * 3^(d - 1)` (30 in 2-D); use that as the
4627    // implicit low-rank cap while preserving the user's explicit `centers=`/`k=`
4628    // request above.  The polynomial null space must still fit, so tiny
4629    // high-order bases are raised to the smallest admissible count.
4630    let mgcv_default = 10usize.saturating_mul(3usize.saturating_pow(d.saturating_sub(1) as u32));
4631    let low_n_floor = (polynomial_cols + 1).min(n).max(1);
4632    // #1867: at small n the generic conditioning cap (`n / COND_N_DIVISOR`) in
4633    // `default_num_centers` starves `planned_count` below the univariate spline
4634    // resolution the competing `s(x)` gets on the SAME data, so `duchon(x)`
4635    // over-smooths sparse oscillations. `univariate_floor` (0 for d>1) carries
4636    // that spline-equivalent basis dimension and floors the 1-D default,
4637    // bounded by n; smoothness is set by the REML penalty, not the raw count.
4638    // Explicit `k`/`centers` still override upstream.
4639    planned_count
4640        .min(mgcv_default)
4641        .max(low_n_floor)
4642        .max(univariate_floor.min(n))
4643}
4644
4645pub fn parse_countwith_basis_alias(
4646    options: &BTreeMap<String, String>,
4647    primarykey: &str,
4648    default_count: usize,
4649) -> Result<usize, String> {
4650    // Strict: reject unparseable values (e.g. `centers=many`, `centers=-1`,
4651    // `centers=1.5`) instead of silently dropping them and falling through
4652    // to the default. Without this the user gets the auto-inferred count
4653    // silently and never realizes their explicit option was ignored.
4654    let primary = option_usize_strict(options, primarykey)?;
4655    let basis_dim = option_usize_any_strict(
4656        options,
4657        &["k", "basis_dim", "basis-dim", "basisdim", "knots"],
4658    )?;
4659    if primary.is_some() && basis_dim.is_some() {
4660        return Err(TermBuilderError::incompatible_config(format!(
4661            "specify either {}=<count> or k=<basis_dim> (not both)",
4662            primarykey
4663        ))
4664        .to_string());
4665    }
4666    Ok(primary.or(basis_dim).unwrap_or(default_count))
4667}
4668
4669pub fn has_explicit_countwith_basis_alias(
4670    options: &BTreeMap<String, String>,
4671    primarykey: &str,
4672) -> bool {
4673    options.contains_key(primarykey)
4674        || ["k", "basis_dim", "basis-dim", "basisdim", "knots"]
4675            .iter()
4676            .any(|alias| options.contains_key(*alias))
4677}
4678
4679pub fn parse_cyclic_boundary(
4680    options: &BTreeMap<String, String>,
4681    minv: f64,
4682    maxv: f64,
4683) -> Result<OneDimensionalBoundary, String> {
4684    let cyclic = option_bool(options, "cyclic")
4685        .or_else(|| option_bool(options, "periodic"))
4686        .unwrap_or(false);
4687    if !cyclic {
4688        return Ok(OneDimensionalBoundary::Open);
4689    }
4690    let start = match option_numeric_expr(options, "period_start")? {
4691        Some(v) => v,
4692        None => option_numeric_expr(options, "start")?.unwrap_or(minv),
4693    };
4694    let end = match option_numeric_expr(options, "period_end")? {
4695        Some(v) => v,
4696        None => option_numeric_expr(options, "end")?.unwrap_or(maxv),
4697    };
4698    if end <= start {
4699        return Err(format!(
4700            "cyclic smooth requires period_end/end ({end}) > period_start/start ({start})"
4701        ));
4702    }
4703    Ok(OneDimensionalBoundary::Cyclic { start, end })
4704}
4705
4706/// Parse the periodic-uniform domain for a one-dimensional cyclic smooth.
4707///
4708/// Returns the `(domain_start, period)` pair derived from
4709/// `period_start` / `start`, `period_end` / `end`, falling back to the
4710/// data range `[minv, maxv)` when neither bound is provided. The period
4711/// must be strictly positive.
4712pub fn parse_periodic_domain_1d(
4713    options: &BTreeMap<String, String>,
4714    minv: f64,
4715    maxv: f64,
4716) -> Result<(f64, f64), String> {
4717    let start_opt = match option_numeric_expr(options, "period_start")? {
4718        Some(v) => Some(v),
4719        None => option_numeric_expr(options, "start")?,
4720    };
4721    let end_opt = match option_numeric_expr(options, "period_end")? {
4722        Some(v) => Some(v),
4723        None => option_numeric_expr(options, "end")?,
4724    };
4725    // Reject the pure data-range fallback. A B-spline periodic smooth that takes
4726    // its wrap from the observed [min, max] is sample-dependent and silently
4727    // wrong: uniform draws on a true period of 2π land on [ε, 2π−ε], so using
4728    // (max−min) as the period seams the curve with an off-by-ε discontinuity and
4729    // the fit drifts with the sample. (Unlike the radial closed-lattice Duchon
4730    // path, whose centers DO tile a full period, so its span-derive is exact —
4731    // see `parse_periodic_axes_option`.) Require the caller to name the period
4732    // explicitly via `period=`/`period_end`. The end is only defaulted to `maxv`
4733    // when a `period_start`/`start` was given (a half-open declaration); a bare
4734    // periodic smooth with neither bound is an error.
4735    if end_opt.is_none() && start_opt.is_none() {
4736        return Err(
4737            "periodic B-spline smooth requires an explicit period: pass period=<value> \
4738             (e.g. period=2*pi) or period_start=/period_end=. Deriving the period from the \
4739             observed data range is sample-dependent and produces an off-by-ε seam, so it is \
4740             not inferred."
4741                .to_string(),
4742        );
4743    }
4744    let start = start_opt.unwrap_or(minv);
4745    let end = end_opt.unwrap_or(maxv);
4746    if !(start.is_finite() && end.is_finite()) {
4747        return Err(format!(
4748            "periodic smooth domain requires finite endpoints, got ({start}, {end})"
4749        ));
4750    }
4751    if end <= start {
4752        return Err(format!(
4753            "periodic smooth requires period_end/end ({end}) > period_start/start ({start})"
4754        ));
4755    }
4756    Ok((start, end - start))
4757}
4758
4759fn parse_matern_nu(raw: &str) -> Result<MaternNu, String> {
4760    let trimmed = raw.trim();
4761    let lowered = trimmed.to_ascii_lowercase();
4762    match lowered.as_str() {
4763        "1/2" | "0.5" | "half" => return Ok(MaternNu::Half),
4764        "3/2" | "1.5" => return Ok(MaternNu::ThreeHalves),
4765        "5/2" | "2.5" => return Ok(MaternNu::FiveHalves),
4766        "7/2" | "3.5" => return Ok(MaternNu::SevenHalves),
4767        "9/2" | "4.5" => return Ok(MaternNu::NineHalves),
4768        _ => {}
4769    }
4770
4771    let value = if let Some((num, den)) = trimmed.split_once('/') {
4772        let num = num
4773            .trim()
4774            .parse::<f64>()
4775            .map_err(|err| format!("{}: {err}", unsupported_matern_nu_message(raw)))?;
4776        let den = den
4777            .trim()
4778            .parse::<f64>()
4779            .map_err(|err| format!("{}: {err}", unsupported_matern_nu_message(raw)))?;
4780        if den == 0.0 || !num.is_finite() || !den.is_finite() {
4781            return Err(unsupported_matern_nu_message(raw));
4782        }
4783        num / den
4784    } else {
4785        trimmed
4786            .parse::<f64>()
4787            .map_err(|err| format!("{}: {err}", unsupported_matern_nu_message(raw)))?
4788    };
4789
4790    const TOL: f64 = 1e-12;
4791    if (value - 0.5).abs() <= TOL {
4792        Ok(MaternNu::Half)
4793    } else if (value - 1.5).abs() <= TOL {
4794        Ok(MaternNu::ThreeHalves)
4795    } else if (value - 2.5).abs() <= TOL {
4796        Ok(MaternNu::FiveHalves)
4797    } else if (value - 3.5).abs() <= TOL {
4798        Ok(MaternNu::SevenHalves)
4799    } else if (value - 4.5).abs() <= TOL {
4800        Ok(MaternNu::NineHalves)
4801    } else {
4802        Err(unsupported_matern_nu_message(raw))
4803    }
4804}
4805
4806fn unsupported_matern_nu_message(raw: &str) -> String {
4807    TermBuilderError::unsupported_feature(format!(
4808        "unsupported Matern nu '{raw}'; supported half-integer values are 1/2, 3/2, 5/2, 7/2, and 9/2"
4809    ))
4810    .to_string()
4811}
4812
4813#[derive(Clone, Debug, serde::Serialize, serde::Deserialize)]
4814pub enum DuchonPowerPolicy {
4815    Explicit(f64),
4816    /// No explicit `power=` given: defer to the cubic structural default, which
4817    /// the builder resolves dimension-aware as `s = (d − 1)/2` (so `φ(r) = r³`
4818    /// in every dimension). There is no triple-operator minimum any more.
4819    CubicStructuralDefault,
4820}
4821
4822pub fn parse_duchon_power_policy(
4823    options: &BTreeMap<String, String>,
4824) -> Result<DuchonPowerPolicy, String> {
4825    if let Some(raw_nu) = options.get("nu") {
4826        return Err(TermBuilderError::incompatible_config(format!(
4827            "Duchon smooths use power=<number>, not nu='{}'. Use power=1.5, power=2, etc.",
4828            raw_nu
4829        ))
4830        .to_string());
4831    }
4832    match options.get("power") {
4833        Some(raw) => {
4834            let value = raw.parse::<f64>().map_err(|err| {
4835                TermBuilderError::invalid_option(format!(
4836                    "invalid Duchon power '{}'; expected a non-negative number such as power=1.5 or power=2: {}",
4837                    raw, err
4838                ))
4839                .to_string()
4840            })?;
4841            if !value.is_finite() || value < 0.0 {
4842                return Err(TermBuilderError::invalid_option(format!(
4843                    "invalid Duchon power '{}'; expected a finite non-negative number such as power=1.5 or power=2",
4844                    raw
4845                ))
4846                .to_string());
4847            }
4848            Ok(DuchonPowerPolicy::Explicit(value))
4849        }
4850        None => Ok(DuchonPowerPolicy::CubicStructuralDefault),
4851    }
4852}
4853
4854pub fn parse_duchon_power(options: &BTreeMap<String, String>) -> Result<f64, String> {
4855    match parse_duchon_power_policy(options)? {
4856        DuchonPowerPolicy::Explicit(power) => Ok(power),
4857        // Context-free placeholder: the bare option parser has no column count,
4858        // so it cannot compute the dimension-aware cubic power `s = (d − 1)/2`.
4859        // The dimension-aware resolution happens later in `build_smooth_basis`;
4860        // this 1.5 is only a stand-in for callers that need a concrete number
4861        // without data context (e.g. round-trip parser tests).
4862        DuchonPowerPolicy::CubicStructuralDefault => Ok(1.5),
4863    }
4864}
4865
4866pub fn parse_duchon_order(
4867    options: &BTreeMap<String, String>,
4868) -> Result<DuchonNullspaceOrder, String> {
4869    match options.get("order") {
4870        // Structural cubic Duchon is affine-by-default: an unspecified order is
4871        // the `Linear` (constant + linear) null space, matching the magic
4872        // default. An explicit `order=0` still selects the constant-only space.
4873        None => Ok(DuchonNullspaceOrder::Linear),
4874        Some(raw) => match raw.parse::<usize>() {
4875            Ok(0) => Ok(DuchonNullspaceOrder::Zero),
4876            Ok(1) => Ok(DuchonNullspaceOrder::Linear),
4877            Ok(other) => Ok(DuchonNullspaceOrder::Degree(other)),
4878            Err(_) => Err(TermBuilderError::invalid_option(format!(
4879                "invalid Duchon order '{}'; expected a non-negative integer such as order=0, order=1, or order=2",
4880                raw
4881            ))
4882            .to_string()),
4883        },
4884    }
4885}
4886
4887fn parse_matern_identifiability(
4888    options: &BTreeMap<String, String>,
4889) -> Result<MaternIdentifiability, TermBuilderError> {
4890    let Some(raw) = options.get("identifiability").map(String::as_str) else {
4891        return Ok(MaternIdentifiability::default());
4892    };
4893    match raw.trim().to_ascii_lowercase().as_str() {
4894        "none" => Ok(MaternIdentifiability::None),
4895        "sum_tozero" | "sum-to-zero" | "center_sum_tozero" | "center-sum-to-zero" | "centered" => {
4896            Ok(MaternIdentifiability::CenterSumToZero)
4897        }
4898        "linear" | "center_linear_orthogonal" | "center-linear-orthogonal" => {
4899            Ok(MaternIdentifiability::CenterLinearOrthogonal)
4900        }
4901        other => Err(TermBuilderError::unsupported_feature(format!(
4902            "invalid Matérn identifiability '{other}'; expected one of: none, sum_tozero, linear"
4903        ))),
4904    }
4905}
4906
4907fn parse_spatial_identifiability(
4908    options: &BTreeMap<String, String>,
4909) -> Result<SpatialIdentifiability, TermBuilderError> {
4910    let Some(raw) = options.get("identifiability").map(String::as_str) else {
4911        return Ok(SpatialIdentifiability::default());
4912    };
4913    match raw.trim().to_ascii_lowercase().as_str() {
4914        "none" => Ok(SpatialIdentifiability::None),
4915        "orthogonal"
4916        | "orthogonal_to_parametric"
4917        | "orthogonal-to-parametric"
4918        | "parametric_orthogonal" => Ok(SpatialIdentifiability::OrthogonalToParametric),
4919        "frozen" => Err(TermBuilderError::unsupported_feature(
4920            "spatial identifiability 'frozen' is internal-only; use none or orthogonal_to_parametric",
4921        )),
4922        other => Err(TermBuilderError::unsupported_feature(format!(
4923            "invalid spatial identifiability '{other}'; expected one of: none, orthogonal_to_parametric"
4924        ))),
4925    }
4926}
4927
4928#[cfg(test)]
4929mod tests {
4930    use super::*;
4931    use crate::basis::{OperatorPenaltySpec, PenaltySource};
4932    use crate::inference::formula_dsl::parse_formula;
4933    use gam_data::{DataSchema, SchemaColumn};
4934    use ndarray::{Array1, Array2};
4935    use std::collections::BTreeMap;
4936
4937    /// #2293 regression: distinct-value counting for factor levels must route
4938    /// through `gam_data::canonical_level_bits`, so `+0.0` / `-0.0` collapse to
4939    /// one level and every NaN payload collapses to one level. The previous
4940    /// ad-hoc `if x == 0.0 { 0.0 } else { x }.to_bits()` idiom collapsed signed
4941    /// zero but left distinct NaN bit patterns as separate levels, over-counting
4942    /// the cardinality that caps a factor/cr marginal's basis.
4943    #[test]
4944    fn unique_count_column_uses_canonical_level_bits() {
4945        // +0.0 and -0.0 are one level; two NaN payloads are one level.
4946        let signed_zero = Array1::from(vec![0.0, -0.0, 0.0]);
4947        assert_eq!(
4948            unique_count_column(signed_zero.view()),
4949            1,
4950            "+0.0 and -0.0 must collapse to a single level"
4951        );
4952
4953        let nan_a = f64::from_bits(0x7ff8_0000_0000_0001);
4954        let nan_b = f64::from_bits(0xfff8_0000_0000_dead);
4955        assert!(nan_a.is_nan() && nan_b.is_nan() && nan_a.to_bits() != nan_b.to_bits());
4956        let nans = Array1::from(vec![nan_a, nan_b]);
4957        assert_eq!(
4958            unique_count_column(nans.view()),
4959            1,
4960            "distinct NaN payloads must collapse to a single level"
4961        );
4962
4963        // Ordinary finite values stay distinct.
4964        let finite = Array1::from(vec![1.0, 2.0, 2.0, 3.0]);
4965        assert_eq!(unique_count_column(finite.view()), 3);
4966    }
4967
4968    /// #1867 regression: on sparse 1-D data the generic conditioning cap in
4969    /// [`default_num_centers`] (`n / COND_N_DIVISOR`) starves a radial
4970    /// (matérn/duchon) basis BELOW the resolution the univariate B-spline
4971    /// `s(x)` is handed on the SAME data — 7 vs 11 basis functions at n=30 —
4972    /// so `matern(x)`/`duchon(x)` over-smooth oscillations that `s(x)`
4973    /// recovers. The spline-equivalent floor threaded into the radial default
4974    /// count must restore that resolution. Without the floor (the `0` argument,
4975    /// i.e. the pre-fix behaviour) the radial default stays starved.
4976    #[test]
4977    fn radial_1d_default_not_starved_below_univariate_spline_resolution_1867() {
4978        let n = 30usize;
4979        let d = 1usize;
4980        // Raw radial default, starved by the n/COND_N_DIVISOR conditioning cap.
4981        let planned = default_num_centers(n, d);
4982        assert!(
4983            planned < 11,
4984            "precondition: conditioning cap starves the raw radial default (got {planned})"
4985        );
4986        // A well-resolved 1-D column of `n` distinct values asks for the
4987        // univariate spline basis dimension the competing `s(x)` gets.
4988        let col: Array1<f64> = Array1::from_iter((0..n).map(|i| i as f64 / (n as f64 - 1.0)));
4989        let univariate_floor =
4990            heuristic_knots_for_column(col.view()).saturating_add(DEFAULT_BSPLINE_DEGREE + 1);
4991        assert_eq!(univariate_floor, 11, "univariate spline resolution at n=30");
4992
4993        // BEFORE (no floor): radial defaults inherit the starved count.
4994        assert_eq!(default_matern_center_count(n, d, planned, 0), planned);
4995        assert!(default_duchon_center_count(n, d, planned, 2, 0) <= planned);
4996
4997        // AFTER (spline-equivalent floor): radial defaults are lifted to at
4998        // least the univariate spline resolution, so they are not dimensioned
4999        // coarser than `s(x)` on identical data.
5000        assert!(
5001            default_matern_center_count(n, d, planned, univariate_floor) >= univariate_floor,
5002            "matern 1-D default must not be starved below the spline resolution"
5003        );
5004        assert!(
5005            default_duchon_center_count(n, d, planned, 2, univariate_floor) >= univariate_floor,
5006            "duchon 1-D default must not be starved below the spline resolution"
5007        );
5008
5009        // The floor is scoped to 1-D: a multivariate smooth passes 0 and keeps
5010        // the generic n-scaling plan unchanged.
5011        assert_eq!(default_matern_center_count(200, 2, 40, 0), 40);
5012    }
5013
5014    /// #1757 regression: an omitted `k=`/`centers=` on a 2-D Duchon smooth must
5015    /// remain a low-rank representer basis. The generic spatial planner grows
5016    /// with `n` (125 centers at n=500), which makes the Duchon center-Gram
5017    /// rotation and REML linear algebra scale as dense `O(k^3)` setup work
5018    /// before the data-fit iterations even start. The Duchon-specific default
5019    /// caps the implicit basis at the thin-plate/Duchon spline rank
5020    /// `10 * 3^(d - 1)` (30 in 2-D) while explicit `k=`/`centers=` still bypass
5021    /// this helper upstream.
5022    #[test]
5023    fn duchon_2d_default_is_low_rank_not_generic_spatial_width_1757() {
5024        let n = 500usize;
5025        let d = 2usize;
5026        let polynomial_cols = d + 1;
5027        let generic_plan = default_num_centers(n, d);
5028        let duchon_default = default_duchon_center_count(n, d, generic_plan, polynomial_cols, 0);
5029        let spline_rank = 10usize.saturating_mul(3usize.saturating_pow((d - 1) as u32));
5030
5031        assert!(
5032            generic_plan > spline_rank,
5033            "precondition: generic spatial plan should be wider than the Duchon low-rank spline rank"
5034        );
5035        assert_eq!(
5036            duchon_default, spline_rank,
5037            "2-D Duchon default must use the low-rank spline representer size, not the generic spatial width"
5038        );
5039        assert!(
5040            duchon_default > polynomial_cols,
5041            "the capped default must still contain the affine polynomial null space"
5042        );
5043    }
5044
5045    fn continuous_dataset(headers: &[&str], rows: Vec<Vec<f64>>) -> Dataset {
5046        let nrows = rows.len();
5047        let ncols = headers.len();
5048        let values = Array2::from_shape_vec(
5049            (nrows, ncols),
5050            rows.into_iter().flat_map(|row| row.into_iter()).collect(),
5051        )
5052        .expect("rectangular test data");
5053        Dataset {
5054            headers: headers.iter().map(|name| name.to_string()).collect(),
5055            values,
5056            schema: DataSchema {
5057                columns: headers
5058                    .iter()
5059                    .map(|name| SchemaColumn {
5060                        name: name.to_string(),
5061                        kind: ColumnKindTag::Continuous,
5062                        levels: vec![],
5063                    })
5064                    .collect(),
5065            },
5066            column_kinds: vec![ColumnKindTag::Continuous; ncols],
5067        }
5068    }
5069
5070    fn factor_dataset() -> Dataset {
5071        let rows = (0..24)
5072            .map(|i| {
5073                let x = i as f64 / 23.0;
5074                let g = (i % 2) as f64;
5075                vec![x + g, x, g]
5076            })
5077            .collect::<Vec<_>>();
5078        Dataset {
5079            headers: vec!["y".into(), "x".into(), "g".into()],
5080            values: Array2::from_shape_vec(
5081                (rows.len(), 3),
5082                rows.into_iter().flat_map(|row| row.into_iter()).collect(),
5083            )
5084            .expect("rectangular factor test data"),
5085            schema: DataSchema {
5086                columns: vec![
5087                    SchemaColumn {
5088                        name: "y".into(),
5089                        kind: ColumnKindTag::Continuous,
5090                        levels: vec![],
5091                    },
5092                    SchemaColumn {
5093                        name: "x".into(),
5094                        kind: ColumnKindTag::Continuous,
5095                        levels: vec![],
5096                    },
5097                    SchemaColumn {
5098                        name: "g".into(),
5099                        kind: ColumnKindTag::Categorical,
5100                        levels: vec!["a".into(), "b".into()],
5101                    },
5102                ],
5103            },
5104            column_kinds: vec![
5105                ColumnKindTag::Continuous,
5106                ColumnKindTag::Continuous,
5107                ColumnKindTag::Categorical,
5108            ],
5109        }
5110    }
5111
5112    fn build_two_dimensional_spatial_basis(
5113        ds: &Dataset,
5114        selector: &str,
5115        count_option: Option<&str>,
5116    ) -> SmoothBasisSpec {
5117        let mut options = BTreeMap::new();
5118        options.insert("bs".to_string(), selector.to_string());
5119        if let Some(option) = count_option {
5120            options.insert(option.to_string(), "7".to_string());
5121        }
5122        let mut notes = Vec::new();
5123        build_smooth_basis(
5124            SmoothKind::S,
5125            &["x".to_string(), "z".to_string()],
5126            &[1, 2],
5127            &options,
5128            ds,
5129            &mut notes,
5130            &ResourcePolicy::default_library(),
5131            1,
5132        )
5133        .unwrap_or_else(|error| {
5134            panic!("failed to build {selector} with count option {count_option:?}: {error}")
5135        })
5136    }
5137
5138    fn curvature_or_measurejet_center_strategy(basis: &SmoothBasisSpec) -> &CenterStrategy {
5139        match basis {
5140            SmoothBasisSpec::ConstantCurvature { spec, .. } => &spec.center_strategy,
5141            SmoothBasisSpec::MeasureJet { spec, .. } => &spec.center_strategy,
5142            other => panic!("expected curvature or measure-jet basis, got {other:?}"),
5143        }
5144    }
5145
5146    /// Build a `sphere(lat, lon)` term over columns 1 (lat) and 2 (lon) of `ds`.
5147    fn build_sphere_over_lat_lon(ds: &Dataset) -> Result<SmoothBasisSpec, String> {
5148        let mut options = BTreeMap::new();
5149        options.insert("bs".to_string(), "sphere".to_string());
5150        options.insert("k".to_string(), "10".to_string());
5151        options.insert("kernel".to_string(), "sobolev".to_string());
5152        let mut notes = Vec::new();
5153        build_smooth_basis(
5154            SmoothKind::S,
5155            &["lat".to_string(), "lon".to_string()],
5156            &[1, 2],
5157            &options,
5158            ds,
5159            &mut notes,
5160            &ResourcePolicy::default_library(),
5161            1,
5162        )
5163    }
5164
5165    /// A sphere/SOS smooth is intrinsically a function of BOTH angular
5166    /// coordinates: a constant longitude puts every point on one meridian, an
5167    /// unidentifiable 1-D slice of S² that must be rejected at term construction
5168    /// with a coordinate-named error — not fit silently. Varying both angular
5169    /// coordinates is accepted.
5170    #[test]
5171    fn sphere_rejects_constant_longitude_but_accepts_varying() {
5172        // lat varies across [-70, 70]; lon is pinned at 0 (a single meridian).
5173        let rows_const_lon: Vec<Vec<f64>> = (0..60)
5174            .map(|i| {
5175                let lat = -70.0 + 140.0 * (i as f64) / 59.0;
5176                vec![0.0, lat, 0.0] // y, lat, lon(const)
5177            })
5178            .collect();
5179        let ds_const = continuous_dataset(&["y", "lat", "lon"], rows_const_lon);
5180        let err = build_sphere_over_lat_lon(&ds_const)
5181            .expect_err("a constant-longitude sphere smooth must be rejected as degenerate");
5182        let lower = err.to_lowercase();
5183        assert!(
5184            (lower.contains("constant")
5185                || lower.contains("degenerate")
5186                || lower.contains("unique"))
5187                && lower.contains("lon"),
5188            "rejection must flag degeneracy and name the constant longitude coordinate: {err}"
5189        );
5190
5191        // Both angular coordinates vary: a well-posed 2-sphere smooth builds.
5192        let rows_ok: Vec<Vec<f64>> = (0..60)
5193            .map(|i| {
5194                let lat = -70.0 + 140.0 * (i as f64) / 59.0;
5195                // A well-spread longitude (deterministic, no RNG) so the input
5196                // genuinely covers both angular axes.
5197                let lon = -170.0 + 340.0 * ((i * 17 % 60) as f64) / 59.0;
5198                vec![0.0, lat, lon]
5199            })
5200            .collect();
5201        let ds_ok = continuous_dataset(&["y", "lat", "lon"], rows_ok);
5202        build_sphere_over_lat_lon(&ds_ok)
5203            .expect("a sphere smooth over varying latitude and longitude must build");
5204    }
5205
5206    #[test]
5207    fn curvature_and_measurejet_omitted_counts_retain_auto_provenance() {
5208        let ds = continuous_dataset(
5209            &["y", "x", "z"],
5210            (0..64)
5211                .map(|i| {
5212                    let x = i as f64 / 63.0;
5213                    let z = ((i * 17) % 64) as f64 / 63.0;
5214                    vec![x.sin() + z.cos(), x, z]
5215                })
5216                .collect(),
5217        );
5218        let expected = default_num_centers(ds.values.nrows(), 2);
5219
5220        for selector in ["curv", "mjs"] {
5221            let basis = build_two_dimensional_spatial_basis(&ds, selector, None);
5222            let strategy = curvature_or_measurejet_center_strategy(&basis);
5223            assert!(
5224                matches!(strategy, CenterStrategy::Auto(_)),
5225                "an omitted count on {selector} must retain Auto provenance, got {strategy:?}",
5226            );
5227            assert_eq!(
5228                strategy.planned_num_centers(2),
5229                expected,
5230                "Auto provenance must preserve {selector}'s resolved default count",
5231            );
5232        }
5233    }
5234
5235    #[test]
5236    fn curvature_and_measurejet_explicit_count_aliases_remain_pinned() {
5237        let ds = continuous_dataset(
5238            &["y", "x", "z"],
5239            (0..32)
5240                .map(|i| {
5241                    let x = i as f64 / 31.0;
5242                    let z = ((i * 11) % 32) as f64 / 31.0;
5243                    vec![x - z, x, z]
5244                })
5245                .collect(),
5246        );
5247
5248        for selector in ["curv", "mjs"] {
5249            for alias in [
5250                "centers",
5251                "k",
5252                "basis_dim",
5253                "basis-dim",
5254                "basisdim",
5255                "knots",
5256            ] {
5257                let basis = build_two_dimensional_spatial_basis(&ds, selector, Some(alias));
5258                let strategy = curvature_or_measurejet_center_strategy(&basis);
5259                assert!(
5260                    !matches!(strategy, CenterStrategy::Auto(_)),
5261                    "explicit {alias}= on {selector} must remain pinned, got {strategy:?}",
5262                );
5263                assert_eq!(
5264                    strategy.planned_num_centers(2),
5265                    7,
5266                    "explicit {alias}= must remain the exact {selector} center count",
5267                );
5268            }
5269        }
5270    }
5271
5272    /// #1378: the DEFAULT univariate `s(x, bs="tp")` must build a *modest*
5273    /// mgcv-sized basis, not the n-scaled spatial heuristic. The oversized
5274    /// default basis left the two-penalty REML ρ-surface with a flat valley
5275    /// whose optimizer landing point depended on row order, breaking
5276    /// row-permutation invariance. Pin the default 1-D center count so a
5277    /// regression that reinstates the n-scaled default trips here, fast, with
5278    /// no fit/optimizer in the loop.
5279    #[test]
5280    fn default_univariate_thinplate_basis_dim_is_modest() {
5281        // n = 300 (the #1378 scenario): the n-scaled spatial heuristic would
5282        // request ~75 centers here. The modest default must stay near k = 10.
5283        let n = 300usize;
5284        let rows: Vec<Vec<f64>> = (0..n)
5285            .map(|i| {
5286                let x = -3.0 + 6.0 * (i as f64) / ((n - 1) as f64);
5287                vec![x.sin(), x]
5288            })
5289            .collect();
5290        let ds = continuous_dataset(&["y", "x"], rows);
5291
5292        let mut options = BTreeMap::new();
5293        options.insert("bs".to_string(), "tp".to_string());
5294
5295        let mut notes = Vec::new();
5296        let basis = build_smooth_basis(
5297            SmoothKind::S,
5298            &["x".to_string()],
5299            &[1],
5300            &options,
5301            &ds,
5302            &mut notes,
5303            &ResourcePolicy::default_library(),
5304            1,
5305        )
5306        .expect("build default univariate tp smooth");
5307
5308        let centers = match &basis {
5309            SmoothBasisSpec::ThinPlate { spec, .. } => match &spec.center_strategy {
5310                CenterStrategy::Auto(inner) => match inner.as_ref() {
5311                    CenterStrategy::FarthestPoint { num_centers }
5312                    | CenterStrategy::EqualMass { num_centers }
5313                    | CenterStrategy::EqualMassCovarRepresentative { num_centers }
5314                    | CenterStrategy::KMeans { num_centers, .. } => *num_centers,
5315                    other => panic!("unexpected auto inner center strategy: {other:?}"),
5316                },
5317                CenterStrategy::FarthestPoint { num_centers }
5318                | CenterStrategy::EqualMass { num_centers }
5319                | CenterStrategy::EqualMassCovarRepresentative { num_centers }
5320                | CenterStrategy::KMeans { num_centers, .. } => *num_centers,
5321                other => panic!("unexpected center strategy: {other:?}"),
5322            },
5323            other => panic!("expected ThinPlate basis, got {other:?}"),
5324        };
5325
5326        // #1074: the mgcv-sized basis-dim ceiling assertion was removed with the
5327        // cap it tested. The default tp basis is now n-scaled; we only assert it
5328        // still builds a usable basis.
5329        assert!(
5330            centers >= 1,
5331            "default univariate tp must still build a usable basis (centers={centers})",
5332        );
5333    }
5334
5335    /// gam#1629: a default 2-D `matern(x1, x2)` (no explicit `length_scale`)
5336    /// must retain typed Auto ownership — NOT a baked-in data diameter — so the
5337    /// planner's `auto_init_length_scale_in_place` seeds it on the
5338    /// wiggly/resolving side (`max_range / sqrt(n)`), the same regime thin-plate
5339    /// uses. This pins the corrected seed geometry without a fit/optimizer in
5340    /// the loop.
5341    #[test]
5342    fn default_matern_2d_seeds_resolving_length_scale_not_overscaled_diameter() {
5343        // A fine multi-frequency 2-D grid (the #1629 reproduction shape): the
5344        // data diameter is O(1.4) in each axis; the resolving seed must be far
5345        // smaller than the diameter so high-frequency structure stays reachable.
5346        let side = 24usize; // n = 576
5347        let mut rows: Vec<Vec<f64>> = Vec::with_capacity(side * side);
5348        for i in 0..side {
5349            for j in 0..side {
5350                let x1 = i as f64 / (side - 1) as f64; // [0, 1]
5351                let x2 = j as f64 / (side - 1) as f64; // [0, 1]
5352                let y = (6.0 * x1).sin() * (6.0 * x2).cos();
5353                rows.push(vec![y, x1, x2]);
5354            }
5355        }
5356        let n = rows.len();
5357        let ds = continuous_dataset(&["y", "x1", "x2"], rows);
5358
5359        let mut options = BTreeMap::new();
5360        options.insert("bs".to_string(), "gp".to_string()); // gp ⇒ Matérn
5361        let mut notes = Vec::new();
5362        let mut basis = build_smooth_basis(
5363            SmoothKind::S,
5364            &["x1".to_string(), "x2".to_string()],
5365            &[1, 2],
5366            &options,
5367            &ds,
5368            &mut notes,
5369            &ResourcePolicy::default_library(),
5370            1,
5371        )
5372        .expect("build default 2-D matern smooth");
5373
5374        // (1) The builder must emit typed unresolved Auto provenance, not a
5375        // baked-in diameter or a magic numeric sentinel.
5376        let (feature_cols, seeded_length_scale) = match &basis {
5377            SmoothBasisSpec::Matern {
5378                feature_cols, spec, ..
5379            } => (feature_cols.clone(), spec.length_scale),
5380            other => panic!("expected Matern basis, got {other:?}"),
5381        };
5382        assert_eq!(seeded_length_scale, MaternLengthScale::auto());
5383
5384        // (2) After the shared auto-init runs, the realized length-scale must
5385        // land in the resolving regime, far below the data diameter. This is
5386        // the seed the κ-optimizer starts REML from. Since #1731 the Matérn
5387        // seed is density-adaptive (`auto_initial_length_scale_for_centers`
5388        // with the requested center count) and since #2252 it uses the
5389        // rotation-invariant covariance extent `sqrt(12·λ_max)` instead of the
5390        // rotation-variant per-axis span, so the fitted basin is identical in
5391        // every rotated frame. Pin bit-equality against that production seed.
5392        crate::smooth::auto_init_length_scale_in_basis(ds.values.view(), &mut basis);
5393        let (realized, requested_centers) = match &basis {
5394            SmoothBasisSpec::Matern { spec, .. } => (
5395                spec.length_scale
5396                    .resolved()
5397                    .expect("auto-init must resolve Matérn length scale"),
5398                match &spec.center_strategy {
5399                    CenterStrategy::FarthestPoint { num_centers }
5400                    | CenterStrategy::EqualMass { num_centers }
5401                    | CenterStrategy::EqualMassCovarRepresentative { num_centers }
5402                    | CenterStrategy::KMeans { num_centers, .. } => *num_centers,
5403                    CenterStrategy::Auto(inner) => match inner.as_ref() {
5404                        CenterStrategy::FarthestPoint { num_centers }
5405                        | CenterStrategy::EqualMass { num_centers }
5406                        | CenterStrategy::EqualMassCovarRepresentative { num_centers }
5407                        | CenterStrategy::KMeans { num_centers, .. } => *num_centers,
5408                        other => panic!("unexpected inner center strategy: {other:?}"),
5409                    },
5410                    other => panic!("unexpected center strategy: {other:?}"),
5411                },
5412            ),
5413            other => panic!("expected Matern basis after auto-init, got {other:?}"),
5414        };
5415        let expected = crate::smooth::auto_initial_length_scale_for_centers(
5416            ds.values.view(),
5417            &feature_cols,
5418            requested_centers,
5419        );
5420        assert!(
5421            (realized - expected).abs() <= 1e-12,
5422            "auto-init must seed the density-adaptive rotation-invariant \
5423             wiggly-side length scale (expected {expected}, got {realized})",
5424        );
5425
5426        // Sanity: the resolving seed is well below the per-axis range (≈1.0).
5427        // Before the fix the seed was the full diameter (≈√2 ≈ 1.414); the
5428        // resolving seed here is ≈ 1.0 / sqrt(576) ≈ 0.042, ~30× smaller.
5429        let max_range = 1.0_f64; // each axis spans [0, 1]
5430        assert!(
5431            realized < max_range / 4.0,
5432            "matern seed length_scale {realized} must be in the resolving regime, \
5433             not the over-smoothed diameter corner (n={n}, max_range≈{max_range})",
5434        );
5435    }
5436
5437    /// gam#979: the BMS entry point asks `all_spatial_terms_kappa_fixed` before
5438    /// any design build. Omitted Matérn scales must therefore be distinguishable
5439    /// from explicit scales both before and after Auto seed resolution.
5440    #[test]
5441    fn matern_length_scale_provenance_drives_prebuild_kappa_locking() {
5442        let ds = continuous_dataset(
5443            &["y", "x1", "x2"],
5444            vec![
5445                vec![0.0, -1.0, -0.5],
5446                vec![1.0, -0.2, 0.7],
5447                vec![0.0, 0.6, -0.8],
5448                vec![1.0, 1.1, 0.4],
5449            ],
5450        );
5451        let build = |length_scale: Option<&str>| {
5452            let mut options = BTreeMap::new();
5453            options.insert("bs".to_string(), "gp".to_string());
5454            if let Some(value) = length_scale {
5455                options.insert("length_scale".to_string(), value.to_string());
5456            }
5457            let mut notes = Vec::new();
5458            build_smooth_basis(
5459                SmoothKind::S,
5460                &["x1".to_string(), "x2".to_string()],
5461                &[1, 2],
5462                &options,
5463                &ds,
5464                &mut notes,
5465                &ResourcePolicy::default_library(),
5466                1,
5467            )
5468            .expect("build Matérn provenance fixture")
5469        };
5470        let collection = |basis| TermCollectionSpec {
5471            linear_terms: Vec::new(),
5472            random_effect_terms: Vec::new(),
5473            smooth_terms: vec![SmoothTermSpec {
5474                name: "spatial".to_string(),
5475                basis,
5476                shape: ShapeConstraint::None,
5477                joint_null_rotation: None,
5478            }],
5479        };
5480
5481        let mut auto = collection(build(None));
5482        assert!(matches!(
5483            &auto.smooth_terms[0].basis,
5484            SmoothBasisSpec::Matern {
5485                spec: MaternBasisSpec {
5486                    length_scale: MaternLengthScale::Auto { resolved: None },
5487                    ..
5488                },
5489                ..
5490            }
5491        ));
5492        assert!(
5493            !crate::smooth::all_spatial_terms_kappa_fixed(&auto),
5494            "BMS pre-design query must enroll omitted Matérn κ"
5495        );
5496        crate::smooth::auto_init_length_scale_in_place(ds.values.view(), &mut auto.smooth_terms[0]);
5497        assert!(matches!(
5498            &auto.smooth_terms[0].basis,
5499            SmoothBasisSpec::Matern {
5500                spec: MaternBasisSpec {
5501                    length_scale: MaternLengthScale::Auto {
5502                        resolved: Some(value)
5503                    },
5504                    ..
5505                },
5506                ..
5507            } if value.is_finite() && *value > 0.0
5508        ));
5509        assert!(
5510            !crate::smooth::all_spatial_terms_kappa_fixed(&auto),
5511            "resolved Auto Matérn κ must remain optimizer-owned"
5512        );
5513
5514        for explicit in ["0.75", "0.0"] {
5515            let fixed = collection(build(Some(explicit)));
5516            assert!(matches!(
5517                &fixed.smooth_terms[0].basis,
5518                SmoothBasisSpec::Matern {
5519                    spec: MaternBasisSpec {
5520                        length_scale: MaternLengthScale::Fixed(value),
5521                        ..
5522                    },
5523                    ..
5524                } if *value == explicit.parse::<f64>().unwrap()
5525            ));
5526            assert!(
5527                crate::smooth::all_spatial_terms_kappa_fixed(&fixed),
5528                "explicit Matérn length_scale={explicit} must lock κ before design build"
5529            );
5530        }
5531    }
5532
5533    /// gam#1778: `matern(..., periodic=true)` and `thinplate(..., periodic=true)`
5534    /// must be ACCEPTED. The squash-merge that wired periodic support into the
5535    /// matern/thinplate basis specs forgot to add the periodic option keys to
5536    /// those two builders' `validate_known_options` whitelists (only `duchon`
5537    /// got both), so `periodic=`/`period=`/`cyclic=`/`period_start=`/`period_end=`
5538    /// were rejected as unknown options even though the spec/builder consume them.
5539    /// Before the whitelist fix this returned an "unknown option" error.
5540    #[test]
5541    fn matern_and_thinplate_accept_periodic_option() {
5542        let n = 200usize;
5543        let rows: Vec<Vec<f64>> = (0..n)
5544            .map(|i| {
5545                let x = -3.0 + 6.0 * (i as f64) / ((n - 1) as f64);
5546                vec![x.sin(), x]
5547            })
5548            .collect();
5549        let ds = continuous_dataset(&["y", "x"], rows);
5550
5551        // matern() with periodic=true must build without an unknown-option error.
5552        let mut matern_opts = BTreeMap::new();
5553        matern_opts.insert("bs".to_string(), "gp".to_string()); // gp ⇒ Matérn
5554        matern_opts.insert("periodic".to_string(), "true".to_string());
5555        let mut notes = Vec::new();
5556        let matern_basis = build_smooth_basis(
5557            SmoothKind::S,
5558            &["x".to_string()],
5559            &[1],
5560            &matern_opts,
5561            &ds,
5562            &mut notes,
5563            &ResourcePolicy::default_library(),
5564            1,
5565        )
5566        .expect("matern(x, periodic=true) must be accepted");
5567        match &matern_basis {
5568            SmoothBasisSpec::Matern { spec, .. } => assert!(
5569                spec.periodic.is_some(),
5570                "periodic=true must thread a Some(periodic) into the matern spec",
5571            ),
5572            other => panic!("expected Matern basis, got {other:?}"),
5573        }
5574
5575        // thinplate()/tps() with periodic=true must likewise be accepted.
5576        let mut tps_opts = BTreeMap::new();
5577        tps_opts.insert("bs".to_string(), "tp".to_string());
5578        tps_opts.insert("periodic".to_string(), "true".to_string());
5579        let mut notes = Vec::new();
5580        let tps_basis = build_smooth_basis(
5581            SmoothKind::S,
5582            &["x".to_string()],
5583            &[1],
5584            &tps_opts,
5585            &ds,
5586            &mut notes,
5587            &ResourcePolicy::default_library(),
5588            1,
5589        )
5590        .expect("thinplate(x, periodic=true) must be accepted");
5591        match &tps_basis {
5592            SmoothBasisSpec::ThinPlate { spec, .. } => assert!(
5593                spec.periodic.is_some(),
5594                "periodic=true must thread a Some(periodic) into the thinplate spec",
5595            ),
5596            other => panic!("expected ThinPlate basis, got {other:?}"),
5597        }
5598    }
5599
5600    /// Regression: an explicit scalar `periodic=false` on a radial spatial smooth
5601    /// must build a NON-periodic basis. The scalar-boolean shortcut used to emit
5602    /// `Some(vec![None; dim])`, which the 1-D radial builders route on via
5603    /// `spec.periodic.is_some()` (and the Duchon arm even back-fills the data
5604    /// range into a lone `None`), so `periodic=false` silently produced a
5605    /// *periodic* smooth — the opposite of what was asked. The spec's `periodic`
5606    /// field must be `None` for every radial base (matern / thinplate / duchon),
5607    /// matching the bracketed `[false]` form.
5608    #[test]
5609    fn scalar_periodic_false_builds_non_periodic_radial_smooth() {
5610        let n = 200usize;
5611        let rows: Vec<Vec<f64>> = (0..n)
5612            .map(|i| {
5613                let x = -3.0 + 6.0 * (i as f64) / ((n - 1) as f64);
5614                vec![x.sin(), x]
5615            })
5616            .collect();
5617        let ds = continuous_dataset(&["y", "x"], rows);
5618
5619        let build = |bs: &str| -> SmoothBasisSpec {
5620            let mut opts = BTreeMap::new();
5621            opts.insert("bs".to_string(), bs.to_string());
5622            opts.insert("periodic".to_string(), "false".to_string());
5623            let mut notes = Vec::new();
5624            build_smooth_basis(
5625                SmoothKind::S,
5626                &["x".to_string()],
5627                &[1],
5628                &opts,
5629                &ds,
5630                &mut notes,
5631                &ResourcePolicy::default_library(),
5632                1,
5633            )
5634            .unwrap_or_else(|e| panic!("s(x, bs={bs}, periodic=false) must be accepted: {e}"))
5635        };
5636
5637        match &build("gp") {
5638            SmoothBasisSpec::Matern { spec, .. } => assert!(
5639                spec.periodic.is_none(),
5640                "periodic=false must leave the matern spec non-periodic, got {:?}",
5641                spec.periodic
5642            ),
5643            other => panic!("expected Matern basis, got {other:?}"),
5644        }
5645        match &build("tp") {
5646            SmoothBasisSpec::ThinPlate { spec, .. } => assert!(
5647                spec.periodic.is_none(),
5648                "periodic=false must leave the thinplate spec non-periodic, got {:?}",
5649                spec.periodic
5650            ),
5651            other => panic!("expected ThinPlate basis, got {other:?}"),
5652        }
5653        match &build("duchon") {
5654            SmoothBasisSpec::Duchon { spec, .. } => assert!(
5655                spec.periodic.is_none(),
5656                "periodic=false must leave the duchon spec non-periodic (no data-range \
5657                 back-fill), got {:?}",
5658                spec.periodic
5659            ),
5660            other => panic!("expected Duchon basis, got {other:?}"),
5661        }
5662    }
5663
5664    fn inferred_tensor_basis_product(ds: &Dataset) -> usize {
5665        let parsed = parse_formula("y ~ te(theta, h)").expect("parse tensor formula");
5666        let col_map = ds.column_map();
5667        let mut notes = Vec::new();
5668        let terms = build_termspec(
5669            &parsed.terms,
5670            ds,
5671            &col_map,
5672            &mut notes,
5673            &ResourcePolicy::default_library(),
5674        )
5675        .expect("build tensor termspec");
5676        let SmoothBasisSpec::TensorBSpline { spec, .. } = &terms.smooth_terms[0].basis else {
5677            panic!("expected tensor smooth");
5678        };
5679        spec.marginalspecs
5680            .iter()
5681            .map(|marginal| match marginal.knotspec {
5682                BSplineKnotSpec::Generate {
5683                    num_internal_knots, ..
5684                } => num_internal_knots + marginal.degree + 1,
5685                BSplineKnotSpec::PeriodicUniform { num_basis, .. } => num_basis,
5686                BSplineKnotSpec::Automatic {
5687                    num_internal_knots: Some(num_internal_knots),
5688                    ..
5689                } => num_internal_knots + marginal.degree + 1,
5690                BSplineKnotSpec::Automatic {
5691                    num_internal_knots: None,
5692                    ..
5693                } => panic!("test helper cannot infer automatic knot count"),
5694                BSplineKnotSpec::Provided(ref knots) => {
5695                    knots.len().saturating_sub(marginal.degree + 1)
5696                }
5697                // cr basis dimension equals the knot count (no degree offset).
5698                BSplineKnotSpec::NaturalCubicRegression { ref knots } => knots.len(),
5699            })
5700            .product()
5701    }
5702
5703    fn tensor_margin_basis_sizes(ds: &Dataset, formula: &str) -> Vec<usize> {
5704        let parsed = parse_formula(formula).expect("parse tensor formula");
5705        let col_map = ds.column_map();
5706        let mut notes = Vec::new();
5707        let terms = build_termspec(
5708            &parsed.terms,
5709            ds,
5710            &col_map,
5711            &mut notes,
5712            &ResourcePolicy::default_library(),
5713        )
5714        .expect("build tensor termspec");
5715        let SmoothBasisSpec::TensorBSpline { spec, .. } = &terms.smooth_terms[0].basis else {
5716            panic!("expected tensor smooth");
5717        };
5718        spec.marginalspecs
5719            .iter()
5720            .map(|marginal| match marginal.knotspec {
5721                BSplineKnotSpec::Generate {
5722                    num_internal_knots, ..
5723                } => num_internal_knots + marginal.degree + 1,
5724                BSplineKnotSpec::PeriodicUniform { num_basis, .. } => num_basis,
5725                BSplineKnotSpec::Automatic {
5726                    num_internal_knots: Some(num_internal_knots),
5727                    ..
5728                } => num_internal_knots + marginal.degree + 1,
5729                BSplineKnotSpec::Automatic {
5730                    num_internal_knots: None,
5731                    ..
5732                } => panic!("test helper cannot infer automatic knot count"),
5733                BSplineKnotSpec::Provided(ref knots) => {
5734                    knots.len().saturating_sub(marginal.degree + 1)
5735                }
5736                // cr basis dimension equals the knot count (no degree offset).
5737                BSplineKnotSpec::NaturalCubicRegression { ref knots } => knots.len(),
5738            })
5739            .collect()
5740    }
5741
5742    #[test]
5743    fn validate_known_options_lists_valid_option_names_for_unknown_parameter() {
5744        let mut options = BTreeMap::new();
5745        options.insert("lengt_scale".to_string(), "0.25".to_string());
5746        let err = validate_known_options(
5747            "matern",
5748            &options,
5749            &["type", "bs", "length_scale", "centers", "k", "nu"],
5750        )
5751        .expect_err("unknown smooth option should be rejected");
5752        assert!(
5753            err.contains("matern() does not accept option `lengt_scale`"),
5754            "error should name the invalid option, got: {err}"
5755        );
5756        assert!(
5757            err.contains("did you mean one of [length_scale]"),
5758            "error should suggest the closest valid option, got: {err}"
5759        );
5760        assert!(
5761            err.contains("Valid options: ["),
5762            "error should list valid option names, got: {err}"
5763        );
5764    }
5765
5766    #[test]
5767    fn tensor_k_accepts_square_bracket_per_margin_list() {
5768        let ds = continuous_dataset(
5769            &["y", "x", "z"],
5770            (0..40)
5771                .map(|i| {
5772                    let x = i as f64 / 39.0;
5773                    let z = ((i * 7) % 40) as f64 / 39.0;
5774                    vec![x.sin() + z.cos(), x, z]
5775                })
5776                .collect(),
5777        );
5778
5779        assert_eq!(
5780            tensor_margin_basis_sizes(&ds, "y ~ te(x, z, k=[5, 6])"),
5781            vec![5, 6],
5782            "square-bracket k lists should materialize the requested per-margin values"
5783        );
5784    }
5785
5786    /// #1776 / #1752: a bare doubly-cyclic tensor `te(x, z, bs=c('cc','cc'))`
5787    /// with NO explicit `period=` must build — each cyclic margin wraps on its
5788    /// own observed `[min, max]` data span (mirroring mgcv's `bs="cc"` and the
5789    /// 1-D cyclic fallback), instead of hard-erroring "periodic but requires an
5790    /// explicit period". The periodic-radial refactor (c8c3192fa) replaced that
5791    /// fallback with an unconditional `period=`-required error and orphaned the
5792    /// `margin_is_cc` binding that drives it (the #1776 dead-binding `-D
5793    /// warnings` build break). This pins the restored data-range derivation so a
5794    /// regression that drops the `None if margin_is_cc` branch trips here, fast,
5795    /// with no fit/optimizer in the loop.
5796    #[test]
5797    fn bare_doubly_cyclic_tensor_derives_period_from_data_range_1776() {
5798        let ds = continuous_dataset(
5799            &["y", "x", "z"],
5800            (0..40)
5801                .map(|i| {
5802                    let x = i as f64 / 39.0;
5803                    let z = ((i * 7) % 40) as f64 / 39.0;
5804                    vec![x.sin() + z.cos(), x, z]
5805                })
5806                .collect(),
5807        );
5808
5809        let parsed = parse_formula("y ~ te(x, z, bs=c('cc','cc'))")
5810            .expect("parse doubly-cyclic tensor formula");
5811        let col_map = ds.column_map();
5812        let mut notes = Vec::new();
5813        // Must NOT hard-error: the bare cyclic margins derive their period from
5814        // the observed data range (the restored #1752 fallback).
5815        let terms = build_termspec(
5816            &parsed.terms,
5817            &ds,
5818            &col_map,
5819            &mut notes,
5820            &ResourcePolicy::default_library(),
5821        )
5822        .expect(
5823            "bare cc-cc tensor must build via the data-range period fallback (#1776/#1752), \
5824             not hard-error on a missing explicit period",
5825        );
5826        let SmoothBasisSpec::TensorBSpline { spec, .. } = &terms.smooth_terms[0].basis else {
5827            panic!("expected tensor smooth");
5828        };
5829        assert_eq!(
5830            spec.marginalspecs.len(),
5831            2,
5832            "te(x, z) builds exactly two tensor margins"
5833        );
5834        for (axis, marginal) in spec.marginalspecs.iter().enumerate() {
5835            assert!(
5836                matches!(marginal.knotspec, BSplineKnotSpec::PeriodicUniform { .. }),
5837                "cyclic margin {axis} must build a periodic (wrapped) knotspec from the \
5838                 data range, got {:?}",
5839                marginal.knotspec
5840            );
5841        }
5842    }
5843
5844    #[test]
5845    fn parse_cylinder_periodic_options_match_requested_forms() {
5846        let mut opts = BTreeMap::new();
5847        opts.insert("periodic".to_string(), "[0]".to_string());
5848        opts.insert("period".to_string(), "[2*pi, None]".to_string());
5849        let axes = parse_periodic_axes(&opts, 2).expect("axes");
5850        let periods = parse_periods(&opts, &axes).expect("periods");
5851        assert_eq!(axes, vec![true, false]);
5852        assert!((periods[0].unwrap() - 2.0 * std::f64::consts::PI).abs() < 1e-12);
5853        assert_eq!(periods[1], None);
5854
5855        let mut boundary_opts = BTreeMap::new();
5856        boundary_opts.insert(
5857            "boundary".to_string(),
5858            "['periodic', 'natural']".to_string(),
5859        );
5860        boundary_opts.insert("period".to_string(), "[2*pi, None]".to_string());
5861        let boundary_axes = parse_periodic_axes(&boundary_opts, 2).expect("boundary axes");
5862        let boundary_periods =
5863            parse_periods(&boundary_opts, &boundary_axes).expect("boundary periods");
5864        assert_eq!(boundary_axes, vec![true, false]);
5865        assert!((boundary_periods[0].unwrap() - 2.0 * std::f64::consts::PI).abs() < 1e-12);
5866        assert_eq!(boundary_periods[1], None);
5867
5868        let mut unicode_opts = BTreeMap::new();
5869        unicode_opts.insert("periodic".to_string(), "[0,1]".to_string());
5870        unicode_opts.insert("period".to_string(), "[2π, τ]".to_string());
5871        let unicode_axes = parse_periodic_axes(&unicode_opts, 2).expect("unicode axes");
5872        let unicode_periods = parse_periods(&unicode_opts, &unicode_axes).expect("unicode periods");
5873        assert_eq!(unicode_axes, vec![true, true]);
5874        assert!((unicode_periods[0].unwrap() - 2.0 * std::f64::consts::PI).abs() < 1e-12);
5875        assert!((unicode_periods[1].unwrap() - std::f64::consts::TAU).abs() < 1e-12);
5876    }
5877
5878    /// The tensor boundary-token guard must ACCEPT `clamped`/`open` (the
5879    /// B-spline-clamped, non-periodic margin spelling) alongside the periodic
5880    /// selectors and the other inert non-periodic markers, and still REJECT a
5881    /// genuine endpoint constraint like `anchored`. This locks the #415 /
5882    /// cylinder fix (`te(theta, z, boundary=['periodic','clamped'])`, mgcv
5883    /// `te(bs=c("cc","ps"))`) in the fast unit lane — the end-to-end cylinder
5884    /// recovery test is R-gated (`run_r` + mgcv), so without this the guard
5885    /// regressing back to rejecting `clamped` would slip through CPU CI.
5886    #[test]
5887    fn tensor_boundary_tokens_accept_clamped_open_reject_anchored() {
5888        fn boundary(raw: &str, dim: usize) -> Result<(), String> {
5889            let mut opts = BTreeMap::new();
5890            opts.insert("boundary".to_string(), raw.to_string());
5891            validate_tensor_boundary_tokens(&opts, dim)
5892        }
5893
5894        // Mixed periodic + clamped (the cylinder) and its bare/case/quote
5895        // variants are all accepted.
5896        for raw in [
5897            "['periodic', 'clamped']",
5898            "['periodic', 'open']",
5899            "['cc', 'clamped']",
5900            "['clamped', 'natural']",
5901            "[Periodic, CLAMPED]",
5902            "c('cc', 'clamped')", // mgcv-style c(...) vector form round-trips
5903        ] {
5904            assert!(
5905                boundary(raw, 2).is_ok(),
5906                "boundary={raw:?} must be accepted (clamped/open/inert non-periodic markers)"
5907            );
5908        }
5909
5910        // `bc=` is an accepted alias for `boundary=`.
5911        let mut bc_opts = BTreeMap::new();
5912        bc_opts.insert("bc".to_string(), "['periodic', 'clamped']".to_string());
5913        assert!(validate_tensor_boundary_tokens(&bc_opts, 2).is_ok());
5914
5915        // A genuine endpoint constraint has no ordinary-margin meaning on a
5916        // tensor and must still be surfaced as a clean unsupported-feature error
5917        // rather than silently dropped.
5918        let err = boundary("['periodic', 'anchored']", 2)
5919            .expect_err("anchored endpoint constraint must be rejected on a tensor margin");
5920        assert!(
5921            err.contains("anchored") && err.contains("not supported"),
5922            "rejection must name the offending token and be an unsupported-feature error: {err}"
5923        );
5924
5925        // Absent boundary/bc is a no-op success.
5926        assert!(validate_tensor_boundary_tokens(&BTreeMap::new(), 2).is_ok());
5927    }
5928
5929    #[test]
5930    fn parse_single_axis_periodic_zero_as_axis_not_false() {
5931        let mut opts = BTreeMap::new();
5932        opts.insert("periodic".to_string(), "[0]".to_string());
5933        opts.insert("period".to_string(), "2*pi".to_string());
5934        opts.insert("origin".to_string(), "0".to_string());
5935        let axes = parse_periodic_axes(&opts, 1).expect("axes");
5936        let periods = parse_periods(&opts, &axes).expect("periods");
5937        let origins = parse_period_origins(&opts, &axes).expect("origins");
5938        assert_eq!(axes, vec![true]);
5939        assert!((periods[0].unwrap() - 2.0 * std::f64::consts::PI).abs() < 1e-12);
5940        assert_eq!(origins[0], Some(0.0));
5941    }
5942
5943    #[test]
5944    fn one_dimensional_bspline_accepts_boundary_periodic() {
5945        let ds = continuous_dataset(
5946            &["y", "theta"],
5947            (0..16)
5948                .map(|i| {
5949                    let theta = std::f64::consts::TAU * i as f64 / 16.0;
5950                    vec![theta.sin(), theta]
5951                })
5952                .collect(),
5953        );
5954        let parsed = parse_formula("y ~ s(theta, boundary=periodic, period=2*pi, origin=0, k=8)")
5955            .expect("parse");
5956        let col_map = ds.column_map();
5957        let mut notes = Vec::new();
5958        let terms = build_termspec(
5959            &parsed.terms,
5960            &ds,
5961            &col_map,
5962            &mut notes,
5963            &gam_runtime::resource::ResourcePolicy::default_library(),
5964        )
5965        .expect("periodic boundary should build");
5966        let SmoothBasisSpec::BSpline1D { spec, .. } = &terms.smooth_terms[0].basis else {
5967            panic!("expected 1D B-spline");
5968        };
5969        assert!(matches!(
5970            &spec.knotspec,
5971            BSplineKnotSpec::PeriodicUniform {
5972                data_range,
5973                num_basis: 8
5974            } if *data_range == (0.0, std::f64::consts::TAU)
5975        ));
5976    }
5977
5978    #[test]
5979    fn univariate_smooth_accepts_mgcv_cubic_regression_aliases() {
5980        let ds = continuous_dataset(
5981            &["y", "x"],
5982            (0..32)
5983                .map(|i| {
5984                    let x = i as f64 / 31.0;
5985                    vec![x * x, x]
5986                })
5987                .collect(),
5988        );
5989        let col_map = ds.column_map();
5990
5991        for selector in ["cr", "cs"] {
5992            let formula = format!("y ~ s(x, bs='{selector}')");
5993            let parsed = parse_formula(&formula).expect("parse cr/cs smooth");
5994            let mut notes = Vec::new();
5995            let terms = build_termspec(
5996                &parsed.terms,
5997                &ds,
5998                &col_map,
5999                &mut notes,
6000                &gam_runtime::resource::ResourcePolicy::default_library(),
6001            )
6002            .unwrap_or_else(|err| panic!("bs='{selector}' must build a 1-D smooth, got: {err:?}"));
6003            let SmoothBasisSpec::BSpline1D { spec, .. } = &terms.smooth_terms[0].basis else {
6004                panic!(
6005                    "bs='{selector}' must lower to a BSpline1D; got {:?}",
6006                    terms.smooth_terms[0].basis
6007                );
6008            };
6009            assert!(
6010                spec.double_penalty,
6011                "bs='{selector}' must recover its null space by default"
6012            );
6013
6014            let opt_out = format!("y ~ s(x, bs='{selector}', double_penalty=false)");
6015            let parsed = parse_formula(&opt_out).expect("parse explicit null-shrinkage opt-out");
6016            let mut notes = Vec::new();
6017            let terms = build_termspec(
6018                &parsed.terms,
6019                &ds,
6020                &col_map,
6021                &mut notes,
6022                &gam_runtime::resource::ResourcePolicy::default_library(),
6023            )
6024            .expect("explicit cr/cs opt-out should build");
6025            let SmoothBasisSpec::BSpline1D { spec, .. } = &terms.smooth_terms[0].basis else {
6026                panic!("bs='{selector}' must lower to a BSpline1D");
6027            };
6028            assert!(!spec.double_penalty, "explicit opt-out must be preserved");
6029        }
6030    }
6031
6032    #[test]
6033    fn non_intercept_linear_effects_default_to_mle_with_explicit_null_recovery() {
6034        let ds = continuous_dataset(
6035            &["y", "x", "z"],
6036            (0..24)
6037                .map(|i| {
6038                    let x = i as f64 / 23.0;
6039                    let z = 1.0 - x;
6040                    vec![x - z, x, z]
6041                })
6042                .collect(),
6043        );
6044        let parsed = parse_formula("y ~ x + z + x:z").expect("parse linear defaults");
6045        let mut notes = Vec::new();
6046        let terms = build_termspec(
6047            &parsed.terms,
6048            &ds,
6049            &ds.column_map(),
6050            &mut notes,
6051            &gam_runtime::resource::ResourcePolicy::default_library(),
6052        )
6053        .expect("build linear defaults");
6054        assert!(!terms.linear_terms.is_empty());
6055        assert!(
6056            terms.linear_terms.iter().all(|term| !term.double_penalty),
6057            "ordinary parametric effects must be unpenalized by default: {:?}",
6058            terms
6059                .linear_terms
6060                .iter()
6061                .map(|term| (&term.name, term.double_penalty))
6062                .collect::<Vec<_>>()
6063        );
6064
6065        // `bounded()` is an exact interval transform and likewise defaults to
6066        // no shrinkage ridge. It also structurally rejects combining the
6067        // interval geometry with `double_penalty`.
6068        let bounded_parsed =
6069            parse_formula("y ~ bounded(z, min=-2, max=2)").expect("parse bounded defaults");
6070        let mut bounded_notes = Vec::new();
6071        let bounded_terms = build_termspec(
6072            &bounded_parsed.terms,
6073            &ds,
6074            &ds.column_map(),
6075            &mut bounded_notes,
6076            &gam_runtime::resource::ResourcePolicy::default_library(),
6077        )
6078        .expect("build bounded defaults");
6079        assert_eq!(bounded_terms.linear_terms.len(), 1);
6080        assert!(
6081            !bounded_terms.linear_terms[0].double_penalty,
6082            "bounded() must default double_penalty=false since it cannot combine with the interval transform"
6083        );
6084
6085        for formula in [
6086            "y ~ linear(x, double_penalty=true)",
6087            "y ~ linear(x:z, double_penalty=true)",
6088        ] {
6089            let parsed = parse_formula(formula).expect("parse explicit linear shrinkage");
6090            let mut notes = Vec::new();
6091            let terms = build_termspec(
6092                &parsed.terms,
6093                &ds,
6094                &ds.column_map(),
6095                &mut notes,
6096                &gam_runtime::resource::ResourcePolicy::default_library(),
6097            )
6098            .unwrap_or_else(|error| panic!("{formula} must build: {error}"));
6099            assert_eq!(terms.linear_terms.len(), 1, "{formula}");
6100            assert!(
6101                terms.linear_terms[0].double_penalty,
6102                "{formula} must preserve the explicit shrinkage opt-in"
6103            );
6104        }
6105
6106        assert!(
6107            parse_formula("y ~ linear(x, double_penalty=ture)").is_err(),
6108            "a misspelled opt-in must be rejected instead of silently using the default"
6109        );
6110    }
6111
6112    #[test]
6113    fn tensor_smooths_default_to_joint_null_recovery_with_explicit_opt_out() {
6114        let ds = continuous_dataset(
6115            &["y", "x", "z"],
6116            (0..36)
6117                .map(|i| {
6118                    let x = i as f64 / 35.0;
6119                    let z = ((i * 11) % 36) as f64 / 35.0;
6120                    vec![x * z, x, z]
6121                })
6122                .collect(),
6123        );
6124        let col_map = ds.column_map();
6125        for constructor in ["te", "ti", "t2"] {
6126            for (option, expected) in [("", true), (", double_penalty=false", false)] {
6127                let formula = format!("y ~ {constructor}(x, z{option})");
6128                let parsed = parse_formula(&formula).expect("parse tensor default");
6129                let mut notes = Vec::new();
6130                let terms = build_termspec(
6131                    &parsed.terms,
6132                    &ds,
6133                    &col_map,
6134                    &mut notes,
6135                    &gam_runtime::resource::ResourcePolicy::default_library(),
6136                )
6137                .unwrap_or_else(|error| panic!("{formula} must build: {error}"));
6138                let SmoothBasisSpec::TensorBSpline { spec, .. } = &terms.smooth_terms[0].basis
6139                else {
6140                    panic!("{formula} must lower to TensorBSpline");
6141                };
6142                assert_eq!(spec.double_penalty, expected, "{formula}");
6143            }
6144        }
6145    }
6146
6147    #[test]
6148    fn univariate_ps_small_k_degree_reduces_through_build(/* gam#1130 */) {
6149        // mgcv accepts `s(x, bs="ps", k=3)` (and the default cubic-regression
6150        // `s(x, k=3)`) by silently reducing the cubic basis to a quadratic.
6151        // The univariate ps/bspline build path used to reject this with
6152        // "k too small for degree 3"; it must now lower to a degree-2 basis
6153        // with zero internal knots (num_basis = k = 3), matching the te(...)
6154        // margin behaviour fixed in b75f55a91. Verified across the ps alias
6155        // and the default (cr) selector that both route through
6156        // parse_ps_internal_knots.
6157        let ds = continuous_dataset(
6158            &["y", "x"],
6159            (0..32)
6160                .map(|i| {
6161                    let x = i as f64 / 31.0;
6162                    vec![x * x, x]
6163                })
6164                .collect(),
6165        );
6166        let col_map = ds.column_map();
6167
6168        for formula in ["y ~ s(x, bs='ps', k=3)", "y ~ s(x, k=3)"] {
6169            let parsed = parse_formula(formula).expect("parse small-k ps/cr smooth");
6170            let mut notes = Vec::new();
6171            let terms = build_termspec(
6172                &parsed.terms,
6173                &ds,
6174                &col_map,
6175                &mut notes,
6176                &gam_runtime::resource::ResourcePolicy::default_library(),
6177            )
6178            .unwrap_or_else(|err| {
6179                panic!("`{formula}` must degree-reduce, not error; got: {err:?}")
6180            });
6181            let SmoothBasisSpec::BSpline1D { spec, .. } = &terms.smooth_terms[0].basis else {
6182                panic!(
6183                    "`{formula}` must lower to a BSpline1D; got {:?}",
6184                    terms.smooth_terms[0].basis
6185                );
6186            };
6187            assert_eq!(
6188                spec.degree, 2,
6189                "`{formula}` must drop the cubic default to a quadratic basis"
6190            );
6191            let num_internal = match &spec.knotspec {
6192                BSplineKnotSpec::Generate {
6193                    num_internal_knots, ..
6194                } => *num_internal_knots,
6195                BSplineKnotSpec::Automatic {
6196                    num_internal_knots: Some(n),
6197                    ..
6198                } => *n,
6199                other => panic!("`{formula}` unexpected knotspec: {other:?}"),
6200            };
6201            assert_eq!(
6202                num_internal, 0,
6203                "`{formula}` must have zero internal knots (num_basis = k = 3)"
6204            );
6205            // Resulting basis dimension is num_internal + degree + 1 = 3 = k.
6206            assert!(
6207                spec.penalty_order >= 1 && spec.penalty_order <= spec.degree,
6208                "`{formula}` penalty_order {} must satisfy 1 <= order <= degree={}",
6209                spec.penalty_order,
6210                spec.degree
6211            );
6212        }
6213    }
6214
6215    #[test]
6216    fn formula_shape_constraint_round_trips_and_rejects_bogus() {
6217        let ds = continuous_dataset(
6218            &["y", "x"],
6219            (0..32)
6220                .map(|i| {
6221                    let x = i as f64 / 31.0;
6222                    vec![x * x, x]
6223                })
6224                .collect(),
6225        );
6226        let col_map = ds.column_map();
6227
6228        let parsed =
6229            parse_formula("y ~ s(x, shape=monotone_increasing)").expect("parse monotone smooth");
6230        let mut notes = Vec::new();
6231        let terms = build_termspec(
6232            &parsed.terms,
6233            &ds,
6234            &col_map,
6235            &mut notes,
6236            &gam_runtime::resource::ResourcePolicy::default_library(),
6237        )
6238        .expect("monotone smooth should build");
6239        assert_eq!(
6240            terms.smooth_terms[0].shape,
6241            ShapeConstraint::MonotoneIncreasing
6242        );
6243
6244        let parsed_bad = parse_formula("y ~ s(x, shape=bogus)").expect("parse bogus shape");
6245        let mut notes_bad = Vec::new();
6246        let err = build_termspec(
6247            &parsed_bad.terms,
6248            &ds,
6249            &col_map,
6250            &mut notes_bad,
6251            &gam_runtime::resource::ResourcePolicy::default_library(),
6252        )
6253        .expect_err("bogus shape must error");
6254        assert!(
6255            format!("{err:?}").contains("unknown shape constraint"),
6256            "got: {err:?}"
6257        );
6258    }
6259
6260    #[test]
6261    fn default_sphere_smooth_uses_spherical_farthest_point_centers() {
6262        let ds = continuous_dataset(
6263            &["y", "lat", "lon"],
6264            (0..24)
6265                .map(|i| {
6266                    let t = i as f64 / 24.0;
6267                    let lat = -60.0 + 120.0 * t;
6268                    let lon = -180.0 + 360.0 * ((7 * i) % 24) as f64 / 24.0;
6269                    vec![lat.to_radians().sin(), lat, lon]
6270                })
6271                .collect(),
6272        );
6273        let parsed = parse_formula("y ~ sphere(lat, lon)").expect("parse");
6274        let col_map = ds.column_map();
6275        let mut notes = Vec::new();
6276        let terms = build_termspec(
6277            &parsed.terms,
6278            &ds,
6279            &col_map,
6280            &mut notes,
6281            &gam_runtime::resource::ResourcePolicy::default_library(),
6282        )
6283        .expect("build sphere termspec");
6284        let SmoothBasisSpec::Sphere { spec, .. } = &terms.smooth_terms[0].basis else {
6285            panic!("expected sphere term");
6286        };
6287        assert!(matches!(
6288            spec.center_strategy,
6289            CenterStrategy::FarthestPoint { .. }
6290        ));
6291    }
6292
6293    #[test]
6294    fn one_dimensional_duchon_defaults_to_scale_free_length_scale() {
6295        let ds = continuous_dataset(
6296            &["y", "x"],
6297            (0..32)
6298                .map(|i| {
6299                    let x = i as f64 / 31.0;
6300                    vec![(std::f64::consts::TAU * x).sin(), x]
6301                })
6302                .collect(),
6303        );
6304        let parsed = parse_formula("y ~ duchon(x)").expect("parse");
6305        let col_map = ds.column_map();
6306        let mut notes = Vec::new();
6307        let terms = build_termspec(
6308            &parsed.terms,
6309            &ds,
6310            &col_map,
6311            &mut notes,
6312            &gam_runtime::resource::ResourcePolicy::default_library(),
6313        )
6314        .expect("build default duchon termspec");
6315        let SmoothBasisSpec::Duchon { spec, .. } = &terms.smooth_terms[0].basis else {
6316            panic!("expected Duchon term");
6317        };
6318        assert_eq!(spec.length_scale, None);
6319        assert!(matches!(
6320            spec.center_strategy,
6321            CenterStrategy::Auto(ref inner)
6322                if matches!(
6323                    inner.as_ref(),
6324                    CenterStrategy::UniformGrid { .. }
6325                )
6326        ));
6327    }
6328
6329    #[test]
6330    fn formula_duchon_default_does_not_enable_collocation_operators() {
6331        let ds = continuous_dataset(
6332            &["y", "x", "z"],
6333            (0..40)
6334                .map(|i| {
6335                    let x = (i as f64 / 39.0).fract();
6336                    let z = ((7 * i) as f64 / 39.0).fract();
6337                    vec![x + z, x, z]
6338                })
6339                .collect(),
6340        );
6341        let parsed = parse_formula("y ~ duchon(x, z)").expect("parse");
6342        let col_map = ds.column_map();
6343        let mut notes = Vec::new();
6344        let terms = build_termspec(
6345            &parsed.terms,
6346            &ds,
6347            &col_map,
6348            &mut notes,
6349            &gam_runtime::resource::ResourcePolicy::default_library(),
6350        )
6351        .expect("build default 2D duchon termspec");
6352        let SmoothBasisSpec::Duchon { spec, .. } = &terms.smooth_terms[0].basis else {
6353            panic!("expected Duchon term");
6354        };
6355        assert!(matches!(
6356            spec.operator_penalties.mass,
6357            OperatorPenaltySpec::Disabled
6358        ));
6359        assert!(matches!(
6360            spec.operator_penalties.tension,
6361            OperatorPenaltySpec::Disabled
6362        ));
6363        assert!(matches!(
6364            spec.operator_penalties.stiffness,
6365            OperatorPenaltySpec::Disabled
6366        ));
6367    }
6368
6369    #[test]
6370    fn one_dimensional_duchon_length_scale_opts_into_hybrid_mode() {
6371        let ds = continuous_dataset(
6372            &["y", "x"],
6373            (0..32)
6374                .map(|i| {
6375                    let x = i as f64 / 31.0;
6376                    vec![(std::f64::consts::TAU * x).sin(), x]
6377                })
6378                .collect(),
6379        );
6380        let parsed = parse_formula("y ~ duchon(x, length_scale=0.25)").expect("parse");
6381        let col_map = ds.column_map();
6382        let mut notes = Vec::new();
6383        let terms = build_termspec(
6384            &parsed.terms,
6385            &ds,
6386            &col_map,
6387            &mut notes,
6388            &gam_runtime::resource::ResourcePolicy::default_library(),
6389        )
6390        .expect("build hybrid duchon termspec");
6391        let SmoothBasisSpec::Duchon { spec, .. } = &terms.smooth_terms[0].basis else {
6392            panic!("expected Duchon term");
6393        };
6394        assert_eq!(spec.length_scale, Some(0.25));
6395    }
6396
6397    #[test]
6398    fn multidimensional_duchon_default_uses_low_rank_mgcv_sized_basis() {
6399        let ds = continuous_dataset(
6400            &["y", "x1", "x2"],
6401            (0..500)
6402                .map(|i| {
6403                    let x1 = 2.0 * (i as f64 / 499.0) - 1.0;
6404                    let x2 = (((37 * i) % 500) as f64 / 499.0) * 2.0 - 1.0;
6405                    vec![(2.0 * x1).sin() + (1.5 * x2).cos(), x1, x2]
6406                })
6407                .collect(),
6408        );
6409        let parsed = parse_formula("y ~ duchon(x1, x2)").expect("parse");
6410        let col_map = ds.column_map();
6411        let mut notes = Vec::new();
6412        let terms = build_termspec(
6413            &parsed.terms,
6414            &ds,
6415            &col_map,
6416            &mut notes,
6417            &gam_runtime::resource::ResourcePolicy::default_library(),
6418        )
6419        .expect("build default 2D duchon termspec");
6420        let SmoothBasisSpec::Duchon { spec, .. } = &terms.smooth_terms[0].basis else {
6421            panic!("expected Duchon term");
6422        };
6423        let CenterStrategy::Auto(inner) = &spec.center_strategy else {
6424            panic!("expected auto center strategy");
6425        };
6426        assert!(matches!(
6427            inner.as_ref(),
6428            CenterStrategy::FarthestPoint { num_centers: 30 }
6429        ));
6430    }
6431
6432    #[test]
6433    fn parse_matern_nu_accepts_equivalent_half_integer_forms() {
6434        let cases = [
6435            ("1/2", MaternNu::Half),
6436            (" 1 / 2 ", MaternNu::Half),
6437            (".5", MaternNu::Half),
6438            ("0.50", MaternNu::Half),
6439            ("half", MaternNu::Half),
6440            ("3 / 2", MaternNu::ThreeHalves),
6441            ("1.50", MaternNu::ThreeHalves),
6442            ("5 / 2", MaternNu::FiveHalves),
6443            ("2.500000000000", MaternNu::FiveHalves),
6444            ("7 / 2", MaternNu::SevenHalves),
6445            ("3.50", MaternNu::SevenHalves),
6446            ("9 / 2", MaternNu::NineHalves),
6447            ("4.50", MaternNu::NineHalves),
6448        ];
6449        for (raw, expected) in cases {
6450            let parsed = parse_matern_nu(raw).expect(raw);
6451            assert!(
6452                matches!(
6453                    (parsed, expected),
6454                    (MaternNu::Half, MaternNu::Half)
6455                        | (MaternNu::ThreeHalves, MaternNu::ThreeHalves)
6456                        | (MaternNu::FiveHalves, MaternNu::FiveHalves)
6457                        | (MaternNu::SevenHalves, MaternNu::SevenHalves)
6458                        | (MaternNu::NineHalves, MaternNu::NineHalves)
6459                ),
6460                "parsed {raw:?} as {parsed:?}, expected {expected:?}"
6461            );
6462        }
6463    }
6464
6465    #[test]
6466    fn parse_matern_nu_rejects_unsupported_or_invalid_values() {
6467        for raw in ["1", "2", "11/2", "1/0", "nan", "fast"] {
6468            let err = parse_matern_nu(raw).expect_err(raw);
6469            assert!(
6470                err.contains("supported half-integer values"),
6471                "unexpected error for {raw:?}: {err}"
6472            );
6473        }
6474    }
6475
6476    #[test]
6477    fn parse_ps_k_promotes_underexpressive_cubic_basis() {
6478        let mut opts = BTreeMap::new();
6479        opts.insert("k".to_string(), "4".to_string());
6480        let (internal, inferred, eff_degree) = parse_ps_internal_knots(&opts, 3, 20).expect("k=4");
6481        assert_eq!(internal, 2);
6482        assert_eq!(eff_degree, 3);
6483        assert!(!inferred);
6484
6485        opts.insert("k".to_string(), "6".to_string());
6486        let (internal, inferred, eff_degree) = parse_ps_internal_knots(&opts, 3, 20).expect("k=6");
6487        assert_eq!(internal, 2);
6488        assert_eq!(eff_degree, 3);
6489        assert!(!inferred);
6490
6491        opts.insert("k".to_string(), "10".to_string());
6492        let (internal, inferred, eff_degree) = parse_ps_internal_knots(&opts, 3, 20).expect("k=10");
6493        assert_eq!(internal, 6);
6494        assert_eq!(eff_degree, 3);
6495        assert!(!inferred);
6496    }
6497
6498    #[test]
6499    fn parse_ps_internal_knots_drops_degree_for_small_k() {
6500        // mgcv's `s(x, bs="ps", k=3)` with the default cubic basis silently
6501        // reduces to a quadratic (`degree=2`) marginal. `k=3, degree=3`
6502        // should yield a quadratic basis with zero internal knots
6503        // (`num_basis = k = 3`).
6504        let mut opts = BTreeMap::new();
6505        opts.insert("k".to_string(), "3".to_string());
6506        let (internal, inferred, eff_degree) = parse_ps_internal_knots(&opts, 3, 20).expect("k=3");
6507        assert_eq!(eff_degree, 2);
6508        assert_eq!(internal, 0);
6509        assert!(!inferred);
6510
6511        // `k=2` reduces to a linear (`degree=1`) marginal — the smallest
6512        // non-trivial spline basis.
6513        opts.insert("k".to_string(), "2".to_string());
6514        let (internal, inferred, eff_degree) = parse_ps_internal_knots(&opts, 3, 20).expect("k=2");
6515        assert_eq!(eff_degree, 1);
6516        assert_eq!(internal, 0);
6517        assert!(!inferred);
6518
6519        // The under-2 case is structurally under-specified and rejected even
6520        // by the degree-reducing variant: no B-spline basis has fewer than
6521        // two functions.
6522        opts.insert("k".to_string(), "1".to_string());
6523        let err = parse_ps_internal_knots(&opts, 3, 20)
6524            .expect_err("k=1 is below the irreducible spline floor");
6525        assert!(err.contains("requires k >= 2"), "unexpected error: {err}");
6526
6527        // When the user already passed `k >= degree+1`, the helper must
6528        // preserve the existing knot geometry exactly.
6529        opts.insert("k".to_string(), "4".to_string());
6530        let (internal, inferred, eff_degree) = parse_ps_internal_knots(&opts, 3, 20).expect("k=4");
6531        assert_eq!(eff_degree, 3);
6532        assert_eq!(internal, 2);
6533        assert!(!inferred);
6534    }
6535
6536    #[test]
6537    fn factor_smooth_marginal_degree_reduces_for_small_k() {
6538        let ds = factor_dataset();
6539        let col_map = ds.column_map();
6540
6541        for (k, expected_degree) in [(3usize, 2usize), (2usize, 1usize)] {
6542            let parsed =
6543                parse_formula(&format!("y ~ s(x, g, bs=fs, k={k})")).expect("parse factor smooth");
6544            let mut notes = Vec::new();
6545            let terms = build_termspec(
6546                &parsed.terms,
6547                &ds,
6548                &col_map,
6549                &mut notes,
6550                &gam_runtime::resource::ResourcePolicy::default_library(),
6551            )
6552            .unwrap_or_else(|err| panic!("fs k={k} should degree-reduce, got: {err:?}"));
6553            let SmoothBasisSpec::FactorSmooth { spec } = &terms.smooth_terms[0].basis else {
6554                panic!(
6555                    "expected factor smooth, got {:?}",
6556                    terms.smooth_terms[0].basis
6557                );
6558            };
6559            assert_eq!(spec.marginal.degree, expected_degree);
6560            assert!(
6561                spec.marginal.penalty_order <= spec.marginal.degree,
6562                "penalty_order {} must be clamped to degree {}",
6563                spec.marginal.penalty_order,
6564                spec.marginal.degree
6565            );
6566            let basis_size = match spec.marginal.knotspec {
6567                BSplineKnotSpec::Generate {
6568                    num_internal_knots, ..
6569                } => num_internal_knots + spec.marginal.degree + 1,
6570                BSplineKnotSpec::Automatic {
6571                    num_internal_knots: Some(num_internal_knots),
6572                    ..
6573                } => num_internal_knots + spec.marginal.degree + 1,
6574                ref other => panic!("unexpected factor-smooth knotspec: {other:?}"),
6575            };
6576            assert_eq!(basis_size, k);
6577        }
6578    }
6579
6580    /// Build a dataset with a ternary continuous covariate `x ∈ {0,1,2}` and a
6581    /// 2-level categorical group `g`, for the low-cardinality cr-cap tests.
6582    fn ternary_factor_dataset() -> Dataset {
6583        let rows = (0..120)
6584            .map(|i| {
6585                let x = (i % 3) as f64;
6586                let g = (i % 2) as f64;
6587                vec![x + g, x, g]
6588            })
6589            .collect::<Vec<_>>();
6590        Dataset {
6591            headers: vec!["y".into(), "x".into(), "g".into()],
6592            values: Array2::from_shape_vec(
6593                (rows.len(), 3),
6594                rows.into_iter().flat_map(|row| row.into_iter()).collect(),
6595            )
6596            .expect("rectangular ternary factor test data"),
6597            schema: DataSchema {
6598                columns: vec![
6599                    SchemaColumn {
6600                        name: "y".into(),
6601                        kind: ColumnKindTag::Continuous,
6602                        levels: vec![],
6603                    },
6604                    SchemaColumn {
6605                        name: "x".into(),
6606                        kind: ColumnKindTag::Continuous,
6607                        levels: vec![],
6608                    },
6609                    SchemaColumn {
6610                        name: "g".into(),
6611                        kind: ColumnKindTag::Categorical,
6612                        levels: vec!["a".into(), "b".into()],
6613                    },
6614                ],
6615            },
6616            column_kinds: vec![
6617                ColumnKindTag::Continuous,
6618                ColumnKindTag::Continuous,
6619                ColumnKindTag::Categorical,
6620            ],
6621        }
6622    }
6623
6624    #[test]
6625    fn univariate_cr_smooth_caps_knots_to_data_support() {
6626        // #1541: `s(x, bs=cr, k=10)` on a ternary covariate (3 distinct values)
6627        // must NOT hard-fail in cr-knot selection ("cubic regression spline with
6628        // k=10 requires at least 10 distinct values, got 3"). The cr basis is
6629        // capped to the data support — exactly 3 value-knots at {0,1,2} — which
6630        // is full-rank for the data, so it can still represent any 3 group means.
6631        let ds = continuous_dataset(
6632            &["y", "x"],
6633            (0..90)
6634                .map(|i| vec![(i % 3) as f64, (i % 3) as f64])
6635                .collect(),
6636        );
6637        let col_map = ds.column_map();
6638        let parsed = parse_formula("y ~ s(x, bs=cr, k=10)").expect("parse cr smooth");
6639        let mut notes = Vec::new();
6640        let terms = build_termspec(
6641            &parsed.terms,
6642            &ds,
6643            &col_map,
6644            &mut notes,
6645            &gam_runtime::resource::ResourcePolicy::default_library(),
6646        )
6647        .expect("cr k=10 must cap to data support instead of erroring");
6648        let SmoothBasisSpec::BSpline1D { spec, .. } = &terms.smooth_terms[0].basis else {
6649            panic!("expected BSpline1D for s(x, bs=cr)");
6650        };
6651        let BSplineKnotSpec::NaturalCubicRegression { knots } = &spec.knotspec else {
6652            panic!("expected cr knotspec, got {:?}", spec.knotspec);
6653        };
6654        // Capped to exactly the 3 distinct covariate values.
6655        assert_eq!(knots.len(), 3, "cr basis not capped to 3 distinct values");
6656        assert_eq!(knots.as_slice().unwrap(), &[0.0, 1.0, 2.0]);
6657        // The reduction is surfaced to the user (mgcv warns in the same case).
6658        assert!(
6659            notes.iter().any(|n| n.contains("data-support cap")),
6660            "cap not reported in inference notes: {notes:?}"
6661        );
6662    }
6663
6664    #[test]
6665    fn univariate_cr_smooth_binary_covariate_degrades_to_bspline() {
6666        // #1541: a BINARY covariate has too few distinct values (2) for ANY cr
6667        // spline (needs >= 3 distinct). `s(x, bs=cr)` must degrade to a B-spline
6668        // marginal — the default basis the same data already fits — NOT hard-fail.
6669        let ds = continuous_dataset(
6670            &["y", "x"],
6671            (0..80)
6672                .map(|i| vec![(i % 2) as f64, (i % 2) as f64])
6673                .collect(),
6674        );
6675        let col_map = ds.column_map();
6676        let parsed = parse_formula("y ~ s(x, bs=cr, k=10)").expect("parse cr smooth");
6677        let mut notes = Vec::new();
6678        let terms = build_termspec(
6679            &parsed.terms,
6680            &ds,
6681            &col_map,
6682            &mut notes,
6683            &gam_runtime::resource::ResourcePolicy::default_library(),
6684        )
6685        .expect("binary cr must degrade to B-spline instead of erroring");
6686        let SmoothBasisSpec::BSpline1D { spec, .. } = &terms.smooth_terms[0].basis else {
6687            panic!("expected BSpline1D for s(x, bs=cr)");
6688        };
6689        assert!(
6690            !matches!(
6691                spec.knotspec,
6692                BSplineKnotSpec::NaturalCubicRegression { .. }
6693            ),
6694            "binary covariate must NOT build a cr basis, got {:?}",
6695            spec.knotspec
6696        );
6697        assert!(
6698            notes
6699                .iter()
6700                .any(|n| n.contains("Degraded to the linear B-spline")),
6701            "degradation not reported in inference notes: {notes:?}"
6702        );
6703    }
6704
6705    #[test]
6706    fn sz_factor_smooth_low_cardinality_uses_bspline_marginal() {
6707        // #1605: the `sz` factor-smooth marginal is the SAME penalized B-spline
6708        // the `fs` sibling uses — NOT a natural cubic regression (`cr`) marginal,
6709        // whose hard natural boundary conditions f''=0 bias curved deviations
6710        // (a consistency failure). #1542 (the reason this test exists) is
6711        // subsumed: with a B-spline marginal a low-cardinality covariate no
6712        // longer needs a special cr data-support cap and can never hard-fail the
6713        // way the old cr-marginal `sz` spelling did — the build just succeeds,
6714        // exactly as `fs` already does on the identical data.
6715        let ds = ternary_factor_dataset();
6716        let col_map = ds.column_map();
6717        let parsed = parse_formula("y ~ s(x, g, bs=sz, k=10)").expect("parse sz factor smooth");
6718        let mut notes = Vec::new();
6719        let terms = build_termspec(
6720            &parsed.terms,
6721            &ds,
6722            &col_map,
6723            &mut notes,
6724            &gam_runtime::resource::ResourcePolicy::default_library(),
6725        )
6726        .expect("sz on a ternary covariate must build (B-spline marginal), not hard-fail");
6727        let SmoothBasisSpec::FactorSmooth { spec } = &terms.smooth_terms[0].basis else {
6728            panic!("expected FactorSmooth for s(x, g, bs=sz)");
6729        };
6730        assert!(
6731            !matches!(
6732                spec.marginal.knotspec,
6733                BSplineKnotSpec::NaturalCubicRegression { .. }
6734            ),
6735            "sz marginal must be a B-spline (curvature-capable), not the \
6736             natural-BC cr basis; got {:?}",
6737            spec.marginal.knotspec
6738        );
6739    }
6740
6741    /// A dataset with a genuinely continuous covariate `x` (many distinct
6742    /// values) and a `L`-level grouping factor `g`, suitable for building a
6743    /// real factor-smooth marginal with a non-trivial {const, linear} null
6744    /// space. `y` is unused by the structural penalty checks below.
6745    fn continuous_x_factor_dataset(n: usize, n_groups: usize) -> Dataset {
6746        let rows = (0..n)
6747            .map(|i| {
6748                let x = i as f64 / (n as f64 - 1.0);
6749                let g = (i % n_groups) as f64;
6750                vec![x + g, x, g]
6751            })
6752            .collect::<Vec<_>>();
6753        let levels: Vec<String> = (0..n_groups).map(|k| format!("g{k}")).collect();
6754        Dataset {
6755            headers: vec!["y".into(), "x".into(), "g".into()],
6756            values: Array2::from_shape_vec(
6757                (rows.len(), 3),
6758                rows.into_iter().flat_map(|row| row.into_iter()).collect(),
6759            )
6760            .expect("rectangular continuous-x factor data"),
6761            schema: DataSchema {
6762                columns: vec![
6763                    SchemaColumn {
6764                        name: "y".into(),
6765                        kind: ColumnKindTag::Continuous,
6766                        levels: vec![],
6767                    },
6768                    SchemaColumn {
6769                        name: "x".into(),
6770                        kind: ColumnKindTag::Continuous,
6771                        levels: vec![],
6772                    },
6773                    SchemaColumn {
6774                        name: "g".into(),
6775                        kind: ColumnKindTag::Categorical,
6776                        levels,
6777                    },
6778                ],
6779            },
6780            column_kinds: vec![
6781                ColumnKindTag::Continuous,
6782                ColumnKindTag::Continuous,
6783                ColumnKindTag::Categorical,
6784            ],
6785        }
6786    }
6787
6788    fn factor_smooth_spec_for(formula: &str, ds: &Dataset) -> FactorSmoothSpec {
6789        let col_map = ds.column_map();
6790        let parsed = parse_formula(formula).expect("parse factor smooth formula");
6791        let mut notes = Vec::new();
6792        let terms = build_termspec(
6793            &parsed.terms,
6794            ds,
6795            &col_map,
6796            &mut notes,
6797            &gam_runtime::resource::ResourcePolicy::default_library(),
6798        )
6799        .expect("build factor smooth term");
6800        let SmoothBasisSpec::FactorSmooth { spec } = &terms.smooth_terms[0].basis else {
6801            panic!("expected FactorSmooth basis for `{formula}`");
6802        };
6803        spec.clone()
6804    }
6805
6806    /// #1605: the sum-to-zero factor smooth `s(x, g, bs="sz")` under-fit data
6807    /// drawn from its own model class because its deviation blocks carried ONLY
6808    /// the marginal wiggliness penalty — the {const, linear} null space of every
6809    /// deviation curve was left completely unpenalized, so the single combined
6810    /// wiggliness λ could not separate per-group intercept/slope variance from
6811    /// curvature variance and REML parked it over-smoothed (same defect class as
6812    /// the closed #700, more severe). mgcv's `bs="fs"` sibling avoids the gap by
6813    /// adding a SEPARATE per-null-dimension ridge (one λ each), the
6814    /// double-penalty `I_L ⊗ S_j` structure. The fix gives `sz` the same
6815    /// null-space-ridge structure, mapped into the zero-sum CONTRAST space so the
6816    /// constraint (and `sz`'s distinctness from `fs`) is preserved.
6817    ///
6818    /// This pins the structural defect: after the fix the `sz` deviation build
6819    /// must carry MORE than just its wiggliness penalty(s) — exactly one extra
6820    /// null-space-ridge penalty per marginal null direction, matching the count
6821    /// that `fs` carries — while keeping the narrower `(L-1)·p` zero-sum design
6822    /// (NOT the `L·p` full-rank `fs` design). Before the fix `sz` carried only
6823    /// the wiggliness penalties and this fails.
6824    #[test]
6825    fn sz_factor_smooth_carries_null_space_ridge_like_fs() {
6826        let ds = continuous_x_factor_dataset(180, 4);
6827        let mut workspace = crate::basis::BasisWorkspace::new();
6828
6829        let sz_spec = factor_smooth_spec_for("y ~ s(x, g, bs=sz, k=8)", &ds);
6830        let sz_built = crate::smooth::build_factor_smooth(
6831            ds.values.view(),
6832            &sz_spec,
6833            "sz_term",
6834            &mut workspace,
6835        )
6836        .expect("build sz factor smooth");
6837
6838        let fs_spec = factor_smooth_spec_for("y ~ s(x, g, bs=fs, k=8)", &ds);
6839        let fs_built = crate::smooth::build_factor_smooth(
6840            ds.values.view(),
6841            &fs_spec,
6842            "fs_term",
6843            &mut workspace,
6844        )
6845        .expect("build fs factor smooth");
6846
6847        // Penalty structure (#1074 + #1605). `fs` is the exchangeable
6848        // random-effect smooth: all `L` level blocks share ONE wiggliness λ per
6849        // marginal penalty, plus one rank-1 null-space ridge per marginal null
6850        // direction (the #1605 double penalty). `sz` is the sum-to-zero factor
6851        // smooth and mgcv's `smooth.construct.sz` emits ONE penalty matrix PER
6852        // LEVEL — `L` independent curvature smoothing parameters — so REML can
6853        // shrink a low-amplitude group's deviation hard while leaving a busy
6854        // group nearly unpenalized. We mirror that: the single marginal
6855        // wiggliness penalty is split into its `L` independent zero-sum-contrast
6856        // summands (`L-1` free per-group blocks `(e_k e_kᵀ)⊗S` + the reference
6857        // coupling block `(11ᵀ)⊗S`), each carrying its own λ, and the null-space
6858        // ridges stay POOLED (the per-group intercept/slope shrinkage mgcv pools
6859        // under one variance even for `sz`).
6860        //
6861        // So with `nw` marginal wiggliness penalties and `nn` marginal null
6862        // directions: fs has `nw + nn` penalties; sz has `L·nw + nn`. sz must
6863        // therefore carry strictly MORE penalties than fs (the per-group split),
6864        // and the surplus must be exactly `(L-1)·nw`.
6865        let n_levels = sz_spec
6866            .group_frozen_levels
6867            .as_ref()
6868            .map(|l| l.len())
6869            .unwrap_or(4);
6870        assert!(n_levels >= 3, "test needs >=3 groups, got {n_levels}");
6871
6872        // fs = nw + nn  ⇒  nn = fs_penalties - nw. The marginal has nw==1
6873        // wiggliness penalty (a single difference/curvature operator), so the
6874        // per-group split adds exactly (L-1)·nw = (L-1) extra penalties on top of
6875        // fs's count.
6876        let nw = 1usize; // one marginal wiggliness penalty for the B-spline marginal
6877        let expected_sz = fs_built.active_penalties.len() + (n_levels - 1) * nw;
6878        assert_eq!(
6879            sz_built.active_penalties.len(),
6880            expected_sz,
6881            "sz must split its wiggliness penalty per level (#1074): expected \
6882             fs_count {} + (L-1)·nw {} = {}, but sz had {}",
6883            fs_built.active_penalties.len(),
6884            (n_levels - 1) * nw,
6885            expected_sz,
6886            sz_built.active_penalties.len(),
6887        );
6888        assert!(
6889            sz_built.active_penalties.len() > fs_built.active_penalties.len(),
6890            "sz must carry strictly more penalties than fs after the per-group \
6891             split (sz={}, fs={})",
6892            sz_built.active_penalties.len(),
6893            fs_built.active_penalties.len(),
6894        );
6895
6896        // The null-space ridges must still be present (the #1605 property that
6897        // keeps the deviation curvature un-over-smoothed). After removing the `L`
6898        // per-group wiggliness blocks, the remainder are the pooled null ridges,
6899        // and there must be at least one (a B-spline marginal has a non-empty
6900        // {const, linear} null space).
6901        let n_wiggliness = n_levels * nw; // L per-group blocks
6902        assert!(
6903            sz_built.active_penalties.len() > n_wiggliness,
6904            "sz deviation block carries no null-space ridge (penalties={}, \
6905             wiggliness blocks={}); the null space is unpenalized and REML \
6906             over-smooths the deviations",
6907            sz_built.active_penalties.len(),
6908            n_wiggliness,
6909        );
6910
6911        // The zero-sum constraint must be preserved: the sz design must stay the
6912        // NARROWER `(L-1)·p` contrast design, strictly narrower than the fs
6913        // full-rank `L·p` design. This guards against "fixing" sz by making it
6914        // identical to fs (which would break identifiability / sum-to-zero).
6915        assert!(
6916            sz_built.dim < fs_built.dim,
6917            "sz design width {} must be strictly less than fs width {} \
6918             (zero-sum contrast drops one level block)",
6919            sz_built.dim,
6920            fs_built.dim,
6921        );
6922
6923        for penalty in &sz_built.active_penalties {
6924            assert_eq!(
6925                penalty
6926                    .null_eigenvectors
6927                    .as_ref()
6928                    .map_or(0, |basis| basis.ncols()),
6929                penalty.nullity
6930            );
6931        }
6932    }
6933
6934    #[test]
6935    fn sz_penalty_metadata_is_emitted_in_matrix_order_2289() {
6936        let ds = continuous_x_factor_dataset(180, 4);
6937        let mut workspace = crate::basis::BasisWorkspace::new();
6938        let spec = factor_smooth_spec_for("y ~ s(x, g, bs=sz, k=8, double_penalty=true)", &ds);
6939        let built = crate::smooth::build_factor_smooth(
6940            ds.values.view(),
6941            &spec,
6942            "sz_metadata_order",
6943            &mut workspace,
6944        )
6945        .expect("build multi-penalty sz smooth");
6946        let n_levels = spec.group_frozen_levels.as_ref().map(Vec::len).unwrap_or(4);
6947
6948        assert!(built.active_penalties.len() >= 2 * n_levels);
6949        for (idx, penalty) in built.active_penalties.iter().enumerate() {
6950            let analysis =
6951                crate::basis::analyze_penalty_block(&penalty.matrix).expect("PSD penalty");
6952            assert_eq!(penalty.info.original_index, idx);
6953            assert_eq!(penalty.info.effective_rank, analysis.rank, "penalty {idx}");
6954            assert_eq!(penalty.nullity, analysis.nullity, "penalty {idx}");
6955        }
6956        assert!(
6957            built.active_penalties[..n_levels]
6958                .iter()
6959                .all(|penalty| matches!(penalty.info.source, PenaltySource::Primary))
6960        );
6961        assert!(
6962            built.active_penalties[n_levels..2 * n_levels]
6963                .iter()
6964                .all(|penalty| matches!(
6965                    penalty.info.source,
6966                    PenaltySource::DoublePenaltyNullspace
6967                ))
6968        );
6969    }
6970
6971    /// #1457: `y ~ s(x, by=g) + g` with a BARE categorical `g` must NOT lower to
6972    /// two `g` design blocks. The bare `+ g` is auto-promoted to a single
6973    /// penalized random-effect block owning the factor's full level offsets; the
6974    /// `by=` branch must then recognize that owner and skip adding its own
6975    /// unpenalized treatment-coded main effect. Before the fix the dedup guard
6976    /// recognized only explicit `group(g)` (a `ParsedTerm::RandomEffect`), so the
6977    /// auto-promoted bare-`+ g` block slipped past and a spurious second `g`
6978    /// block (plus an extra smoothing parameter) was added. Assert exactly ONE
6979    /// `g` random/categorical block, and that adding the bare `+ g` introduces no
6980    /// extra `g` blocks beyond `y ~ s(x, by=g)` alone.
6981    fn factor_dataset_l3() -> Dataset {
6982        // `g` is categorical with THREE levels (encoded 0.0/1.0/2.0).
6983        let rows = (0..30)
6984            .map(|i| {
6985                let x = i as f64 / 29.0;
6986                let g = (i % 3) as f64;
6987                vec![x + g, x, g]
6988            })
6989            .collect::<Vec<_>>();
6990        Dataset {
6991            headers: vec!["y".into(), "x".into(), "g".into()],
6992            values: Array2::from_shape_vec(
6993                (rows.len(), 3),
6994                rows.into_iter().flat_map(|row| row.into_iter()).collect(),
6995            )
6996            .expect("rectangular L=3 factor test data"),
6997            schema: DataSchema {
6998                columns: vec![
6999                    SchemaColumn {
7000                        name: "y".into(),
7001                        kind: ColumnKindTag::Continuous,
7002                        levels: vec![],
7003                    },
7004                    SchemaColumn {
7005                        name: "x".into(),
7006                        kind: ColumnKindTag::Continuous,
7007                        levels: vec![],
7008                    },
7009                    SchemaColumn {
7010                        name: "g".into(),
7011                        kind: ColumnKindTag::Categorical,
7012                        levels: vec!["a".into(), "b".into(), "c".into()],
7013                    },
7014                ],
7015            },
7016            column_kinds: vec![
7017                ColumnKindTag::Continuous,
7018                ColumnKindTag::Continuous,
7019                ColumnKindTag::Categorical,
7020            ],
7021        }
7022    }
7023
7024    #[test]
7025    fn factor_by_smooth_plus_bare_categorical_does_not_duplicate_factor_block() {
7026        let ds = factor_dataset_l3();
7027        let col_map = ds.column_map();
7028
7029        let g_blocks = |formula: &str| -> usize {
7030            let parsed = parse_formula(formula).expect("parse by-smooth formula");
7031            let mut notes = Vec::new();
7032            let terms = build_termspec(
7033                &parsed.terms,
7034                &ds,
7035                &col_map,
7036                &mut notes,
7037                &ResourcePolicy::default_library(),
7038            )
7039            .unwrap_or_else(|err| panic!("`{formula}` must build, got: {err:?}"));
7040            terms
7041                .random_effect_terms
7042                .iter()
7043                .filter(|rt| rt.name == "g")
7044                .count()
7045        };
7046
7047        // Baseline: the standalone factor-by smooth carries exactly ONE `g`
7048        // block (the unpenalized treatment-coded factor main effect added by the
7049        // `by=` branch).
7050        let by_only = g_blocks("y ~ s(x, by=g, k=10)");
7051        assert_eq!(
7052            by_only, 1,
7053            "`y ~ s(x, by=g)` must produce exactly one `g` design block"
7054        );
7055
7056        // The bug: adding a bare `+ g` (auto-promoted to a penalized random
7057        // block owning the same level offsets) must NOT introduce a second `g`
7058        // block. Before the fix this was 2.
7059        let by_plus_bare = g_blocks("y ~ s(x, by=g, k=10) + g");
7060        assert_eq!(
7061            by_plus_bare, 1,
7062            "`y ~ s(x, by=g) + g` must collapse to ONE `g` block (#1457): the bare \
7063             `+ g` already owns the factor's level offsets, so the `by=` branch \
7064             must not add a second, treatment-coded main effect"
7065        );
7066
7067        // The bare `+ g` adds no spurious extra `g` block versus the baseline.
7068        assert_eq!(
7069            by_plus_bare, by_only,
7070            "the bare `+ g` collision must add zero extra `g` blocks (#1457)"
7071        );
7072    }
7073
7074    #[test]
7075    fn factor_by_penalties_carry_full_expanded_null_geometry_2293() {
7076        let ds = factor_dataset_l3();
7077        let col_map = ds.column_map();
7078        // Leave the marginal null space unshrunk so every level-specific term
7079        // must carry a non-trivial joint-null chart. The production default is
7080        // double-penalized, whose primary and null-space ridge have a full-rank
7081        // joint sum and therefore correctly produce no joint-null rotation.
7082        let parsed =
7083            parse_formula("y ~ s(x, by=g, k=8, double_penalty=false)").expect("parse by smooth");
7084        let mut notes = Vec::new();
7085        let terms = build_termspec(
7086            &parsed.terms,
7087            &ds,
7088            &col_map,
7089            &mut notes,
7090            &ResourcePolicy::default_library(),
7091        )
7092        .expect("build by smooth spec");
7093        assert_eq!(terms.smooth_terms.len(), 3, "one smooth per factor level");
7094
7095        // Formula construction represents an unordered factor-by smooth as one
7096        // explicit level-gated term per factor level. Validate the complete
7097        // realized expansion, rather than inspecting only its first level or
7098        // assuming the legacy monolithic BySmooth::Factor representation.
7099        for term in &terms.smooth_terms {
7100            assert!(matches!(
7101                &term.basis,
7102                SmoothBasisSpec::ByVariable {
7103                    by: ByVariableSpec::Level { .. },
7104                    ..
7105                }
7106            ));
7107            let mut workspace = crate::basis::BasisWorkspace::new();
7108            let built = crate::smooth::build_single_local_smooth_term(
7109                ds.values.view(),
7110                term,
7111                &mut workspace,
7112            )
7113            .expect("build level-gated factor-by smooth");
7114
7115            for (idx, penalty) in built.active_penalties.iter().enumerate() {
7116                let analysis =
7117                    crate::basis::analyze_penalty_block(&penalty.matrix).expect("PSD block");
7118                assert_eq!(analysis.rank + penalty.nullity, built.dim, "penalty {idx}");
7119                assert_eq!(analysis.nullity, penalty.nullity, "penalty {idx}");
7120                assert_eq!(penalty.info.effective_rank, analysis.rank);
7121                let basis = penalty
7122                    .null_eigenvectors
7123                    .as_ref()
7124                    .expect("nontrivial factor-level null basis");
7125                assert_eq!(basis.nrows(), built.dim);
7126                assert_eq!(basis.ncols(), penalty.nullity);
7127            }
7128            let joint = built
7129                .joint_null_rotation
7130                .as_ref()
7131                .expect("factor-level joint null geometry");
7132            assert!(joint.joint_nullity > 0);
7133            assert_eq!(joint.rotation.nrows(), built.dim);
7134            assert_eq!(joint.rotation.ncols(), built.dim);
7135        }
7136    }
7137
7138    #[test]
7139    fn parse_tensor_periods_and_origins_aliases() {
7140        let mut opts = BTreeMap::new();
7141        opts.insert(
7142            "boundary".to_string(),
7143            "['periodic', 'periodic']".to_string(),
7144        );
7145        opts.insert("periods".to_string(), "[7, 24]".to_string());
7146        opts.insert("origins".to_string(), "[0, -12]".to_string());
7147        let axes = parse_periodic_axes(&opts, 2).expect("axes");
7148        let periods = parse_periods(&opts, &axes).expect("periods");
7149        let origins = parse_period_origins(&opts, &axes).expect("origins");
7150        assert_eq!(axes, vec![true, true]);
7151        assert_eq!(periods, vec![Some(7.0), Some(24.0)]);
7152        assert_eq!(origins, vec![Some(0.0), Some(-12.0)]);
7153    }
7154
7155    #[test]
7156    fn tensor_smooth_honors_per_margin_k_list() {
7157        let ds = continuous_dataset(
7158            &["y", "theta", "h"],
7159            (0..20)
7160                .map(|i| {
7161                    let theta = std::f64::consts::TAU * i as f64 / 20.0;
7162                    let h = -1.0 + 2.0 * (i % 5) as f64 / 4.0;
7163                    vec![theta.cos() + h, theta, h]
7164                })
7165                .collect(),
7166        );
7167        let parsed = parse_formula(
7168            "y ~ te(theta, h, periodic=[0], period=[2*pi, None], origin=[0, None], k=[9,5])",
7169        )
7170        .expect("parse tensor formula");
7171        let col_map = ds.column_map();
7172        let mut notes = Vec::new();
7173        let terms = build_termspec(
7174            &parsed.terms,
7175            &ds,
7176            &col_map,
7177            &mut notes,
7178            &gam_runtime::resource::ResourcePolicy::default_library(),
7179        )
7180        .expect("build tensor terms");
7181        let SmoothBasisSpec::TensorBSpline { spec, .. } = &terms.smooth_terms[0].basis else {
7182            panic!("expected tensor B-spline");
7183        };
7184        let dims = spec
7185            .marginalspecs
7186            .iter()
7187            .map(|m| match m.knotspec {
7188                BSplineKnotSpec::PeriodicUniform { num_basis, .. } => num_basis,
7189                BSplineKnotSpec::Generate {
7190                    num_internal_knots, ..
7191                } => num_internal_knots + m.degree + 1,
7192                // The mgcv-default `cr` margin (#1074) reports its basis size as
7193                // the number of value-knots placed.
7194                BSplineKnotSpec::NaturalCubicRegression { ref knots } => knots.len(),
7195                _ => panic!("unexpected tensor marginal knotspec"),
7196            })
7197            .collect::<Vec<_>>();
7198        assert_eq!(dims, vec![9, 5]);
7199    }
7200
7201    #[test]
7202    fn tensor_smooth_honors_per_margin_k_axis_aliases() {
7203        let ds = continuous_dataset(
7204            &["resp", "x", "y"],
7205            (0..12)
7206                .map(|i| {
7207                    let t = i as f64 / 11.0;
7208                    vec![t, t, 1.0 - t]
7209                })
7210                .collect(),
7211        );
7212        assert_eq!(
7213            tensor_margin_basis_sizes(&ds, "resp ~ te(x, y, k_x=9, k_y=5)"),
7214            vec![9, 5],
7215            "k_<margin> aliases should materialize requested per-margin values"
7216        );
7217    }
7218
7219    #[test]
7220    fn tensor_smooth_low_cardinality_axis_falls_back_to_lower_degree_basis() {
7221        // mgcv-style: `te(x, b, k=c(5, 2))` with a BINARY second margin (only
7222        // values {0, 1}) is a legitimate request — the binary axis can hold at
7223        // most a 2-function linear basis. We must NOT reject k=2 with a
7224        // "k too small for degree 3" config error; instead, drop the spline
7225        // degree on the binary axis to k_axis - 1 (here 1, linear) while
7226        // keeping the continuous margin at the requested degree=3, k=5.
7227        let ds = continuous_dataset(
7228            &["y", "x", "b"],
7229            (0..40)
7230                .map(|i| {
7231                    let x = i as f64 / 39.0;
7232                    let b = (i % 2) as f64;
7233                    vec![x.sin() + 0.5 * b, x, b]
7234                })
7235                .collect(),
7236        );
7237        let parsed = parse_formula("y ~ te(x, b, k=[5, 2])").expect("parse tensor with k=[5,2]");
7238        let col_map = ds.column_map();
7239        let mut notes = Vec::new();
7240        let terms = build_termspec(
7241            &parsed.terms,
7242            &ds,
7243            &col_map,
7244            &mut notes,
7245            &gam_runtime::resource::ResourcePolicy::default_library(),
7246        )
7247        .expect("build tensor with binary margin");
7248        let SmoothBasisSpec::TensorBSpline { spec, .. } = &terms.smooth_terms[0].basis else {
7249            panic!("expected tensor B-spline for te(x, b)");
7250        };
7251        // Continuous margin keeps requested degree=3 and k=5; binary margin
7252        // drops to degree=1 (linear) so the requested k=2 yields exactly two
7253        // basis functions before tensor-product identifiability is applied.
7254        let continuous = &spec.marginalspecs[0];
7255        let binary = &spec.marginalspecs[1];
7256        assert_eq!(continuous.degree, 3);
7257        assert_eq!(binary.degree, 1);
7258        assert!(
7259            binary.penalty_order >= 1 && binary.penalty_order <= binary.degree,
7260            "binary margin penalty_order {} must satisfy 1 <= order <= degree={}",
7261            binary.penalty_order,
7262            binary.degree
7263        );
7264        let basis_size = |m: &BSplineBasisSpec| match m.knotspec {
7265            BSplineKnotSpec::PeriodicUniform { num_basis, .. } => num_basis,
7266            BSplineKnotSpec::Generate {
7267                num_internal_knots, ..
7268            } => num_internal_knots + m.degree + 1,
7269            BSplineKnotSpec::Automatic {
7270                num_internal_knots: Some(n),
7271                ..
7272            } => n + m.degree + 1,
7273            // The mgcv-default `cr` margin (#1074) reports its basis size as the
7274            // number of value-knots placed.
7275            BSplineKnotSpec::NaturalCubicRegression { ref knots } => knots.len(),
7276            _ => panic!("unexpected tensor marginal knotspec"),
7277        };
7278        assert_eq!(basis_size(continuous), 5);
7279        assert_eq!(basis_size(binary), 2);
7280    }
7281
7282    #[test]
7283    fn tensor_smooth_uniform_k_is_capped_to_a_low_cardinality_margins_distinct_values() {
7284        // Regression: a SINGLE `k=5` applied to every axis of `te(x, b, k=5)`
7285        // with a BINARY second margin (`b ∈ {0, 1}`) must build a valid tensor,
7286        // NOT hard-fail in cr-knot selection ("cubic regression spline with k=5
7287        // requires at least 5 distinct values, got 2"). mgcv caps a margin's
7288        // basis to its data support; the binary axis becomes the 2-function
7289        // (linear) margin, while the continuous axis keeps the requested k=5.
7290        // This is the `te(age, badh, k=5)` real-data case that previously errored.
7291        let ds = continuous_dataset(
7292            &["y", "x", "b"],
7293            (0..40)
7294                .map(|i| {
7295                    let x = i as f64 / 39.0;
7296                    let b = (i % 2) as f64;
7297                    vec![x.sin() + 0.5 * b, x, b]
7298                })
7299                .collect(),
7300        );
7301        let parsed = parse_formula("y ~ te(x, b, k=5)").expect("parse tensor with uniform k=5");
7302        let col_map = ds.column_map();
7303        let mut notes = Vec::new();
7304        let terms = build_termspec(
7305            &parsed.terms,
7306            &ds,
7307            &col_map,
7308            &mut notes,
7309            &gam_runtime::resource::ResourcePolicy::default_library(),
7310        )
7311        .expect("uniform k=5 must auto-cap the binary margin instead of erroring");
7312        let SmoothBasisSpec::TensorBSpline { spec, .. } = &terms.smooth_terms[0].basis else {
7313            panic!("expected tensor B-spline for te(x, b)");
7314        };
7315        let basis_size = |m: &BSplineBasisSpec| match &m.knotspec {
7316            BSplineKnotSpec::PeriodicUniform { num_basis, .. } => *num_basis,
7317            BSplineKnotSpec::Generate {
7318                num_internal_knots, ..
7319            } => num_internal_knots + m.degree + 1,
7320            BSplineKnotSpec::Automatic {
7321                num_internal_knots: Some(n),
7322                ..
7323            } => n + m.degree + 1,
7324            BSplineKnotSpec::NaturalCubicRegression { knots } => knots.len(),
7325            other => panic!("unexpected tensor marginal knotspec: {other:?}"),
7326        };
7327        let binary = &spec.marginalspecs[1];
7328        // Binary margin is reduced to the 2-function linear basis its data
7329        // supports (k capped from 5 to 2, degree dropped to 1).
7330        assert_eq!(basis_size(binary), 2);
7331        assert_eq!(binary.degree, 1);
7332        // The continuous margin is unaffected by the cap (40 distinct values).
7333        assert_eq!(basis_size(&spec.marginalspecs[0]), 5);
7334    }
7335
7336    #[test]
7337    fn tensor_all_tp_margins_with_per_margin_k_routes_to_bspline_tensor() {
7338        // `te(x1, x2, bs=c('tp','tp'), k=c(5,5))` is mgcv's per-margin tp tensor
7339        // with per-margin basis sizes — a tensor product of two 1-D bases, each
7340        // of dimension 5. The list-valued `k=c(5,5)` is honored by
7341        // `parse_tensor_k_list`, producing one penalized B-spline margin per axis
7342        // (each spanning the requested per-axis thin-plate function space). This
7343        // is the same anisotropic-tensor routing the scalar/no-`k` case takes —
7344        // a `te()` request is ALWAYS a tensor product, never a silent isotropic
7345        // thin-plate substitution.
7346        let ds = continuous_dataset(
7347            &["y", "x1", "x2"],
7348            (0..32)
7349                .map(|i| {
7350                    let t = i as f64 / 31.0;
7351                    vec![t.sin(), t, 1.0 - t]
7352                })
7353                .collect(),
7354        );
7355        let parsed =
7356            parse_formula("y ~ te(x1, x2, bs=c('tp','tp'), k=c(5,5))").expect("parse tensor");
7357        let col_map = ds.column_map();
7358        let mut notes = Vec::new();
7359        let terms = build_termspec(
7360            &parsed.terms,
7361            &ds,
7362            &col_map,
7363            &mut notes,
7364            &gam_runtime::resource::ResourcePolicy::default_library(),
7365        )
7366        .expect("build tensor terms with per-margin k");
7367        let SmoothBasisSpec::TensorBSpline { spec, .. } = &terms.smooth_terms[0].basis else {
7368            panic!(
7369                "expected B-spline tensor when k=c(5,5) is supplied with bs=c('tp','tp'), got {:?}",
7370                terms.smooth_terms[0].basis
7371            );
7372        };
7373        // Since #1074 a `tp` tensor margin (k >= 3) is realized as a
7374        // Lancaster–Salkauskas natural cubic-regression margin (cr basis
7375        // dimension == knot count), not an open `Generate` B-spline. It is
7376        // still a `TensorBSpline` spec with one penalized 1-D margin per axis,
7377        // so the routing assertion above still holds; only the per-margin
7378        // knotspec variant changed. The earlier `_ => panic!` arm pinned the
7379        // pre-#1074 `Generate`-only representation and is stale. Decode every
7380        // margin variant to its basis dimension (mirroring the
7381        // `tensor_margin_basis_sizes` helper).
7382        let dims = spec
7383            .marginalspecs
7384            .iter()
7385            .map(|m| match m.knotspec {
7386                BSplineKnotSpec::Generate {
7387                    num_internal_knots, ..
7388                } => num_internal_knots + m.degree + 1,
7389                BSplineKnotSpec::Automatic {
7390                    num_internal_knots: Some(num_internal_knots),
7391                    ..
7392                } => num_internal_knots + m.degree + 1,
7393                BSplineKnotSpec::PeriodicUniform { num_basis, .. } => num_basis,
7394                BSplineKnotSpec::Provided(ref knots) => knots.len().saturating_sub(m.degree + 1),
7395                BSplineKnotSpec::NaturalCubicRegression { ref knots } => knots.len(),
7396                BSplineKnotSpec::Automatic {
7397                    num_internal_knots: None,
7398                    ..
7399                } => panic!("test cannot infer automatic knot count"),
7400            })
7401            .collect::<Vec<_>>();
7402        assert_eq!(dims, vec![5, 5]);
7403    }
7404
7405    #[test]
7406    fn tensor_all_tp_margins_without_per_margin_k_builds_anisotropic_tensor() {
7407        // `te(x1, x2, bs=c('tp','tp'))` is a tensor-product request and must
7408        // build a genuine anisotropic tensor product (one smoothing parameter
7409        // per margin), NOT a silently-substituted multi-D isotropic thin-plate
7410        // radial smooth — that would be a different model (`s(x1,x2,bs='tp')`).
7411        // The routing is now consistent whether or not `k` is list-valued: a tp
7412        // margin vector always realizes each axis as a 1-D penalized B-spline
7413        // margin spanning the same per-axis thin-plate function space (#1082).
7414        let ds = continuous_dataset(
7415            &["y", "x1", "x2"],
7416            (0..32)
7417                .map(|i| {
7418                    let t = i as f64 / 31.0;
7419                    vec![t.sin(), t, 1.0 - t]
7420                })
7421                .collect(),
7422        );
7423        let parsed = parse_formula("y ~ te(x1, x2, bs=c('tp','tp'))").expect("parse tensor");
7424        let col_map = ds.column_map();
7425        let mut notes = Vec::new();
7426        let terms = build_termspec(
7427            &parsed.terms,
7428            &ds,
7429            &col_map,
7430            &mut notes,
7431            &gam_runtime::resource::ResourcePolicy::default_library(),
7432        )
7433        .expect("build tensor terms without per-margin k");
7434        let SmoothBasisSpec::TensorBSpline { spec, .. } = &terms.smooth_terms[0].basis else {
7435            panic!(
7436                "te(...,bs=c('tp','tp')) must route to an anisotropic tensor product, not a \
7437                 silent isotropic thin-plate substitution; got {:?}",
7438                terms.smooth_terms[0].basis
7439            );
7440        };
7441        assert_eq!(
7442            spec.marginalspecs.len(),
7443            2,
7444            "tp tensor must carry one penalized B-spline margin per axis"
7445        );
7446    }
7447
7448    #[test]
7449    fn explicit_basis_sizes_are_not_small_n_clamped() {
7450        let ds = continuous_dataset(
7451            &["y", "x1", "x2", "x3", "x4", "x5"],
7452            (0..12)
7453                .map(|i| {
7454                    let x = i as f64 / 11.0;
7455                    vec![x.sin(), x, x * x, x + 0.1, 1.0 - x, (2.0 * x).sin()]
7456                })
7457                .collect(),
7458        );
7459        let parsed = parse_formula("y ~ s(x1, k=10) + s(x2) + s(x3) + s(x4) + s(x5)")
7460            .expect("parse multi-smooth formula");
7461        let col_map = ds.column_map();
7462        let mut notes = Vec::new();
7463        let terms = build_termspec(
7464            &parsed.terms,
7465            &ds,
7466            &col_map,
7467            &mut notes,
7468            &gam_runtime::resource::ResourcePolicy::default_library(),
7469        )
7470        .expect("build multi-smooth terms");
7471        let SmoothBasisSpec::BSpline1D { spec, .. } = &terms.smooth_terms[0].basis else {
7472            panic!("expected first smooth to be B-spline");
7473        };
7474        assert!(matches!(
7475            &spec.knotspec,
7476            BSplineKnotSpec::Generate {
7477                num_internal_knots: 6,
7478                ..
7479            }
7480        ));
7481    }
7482
7483    #[test]
7484    fn explicit_duchon_centers_are_not_small_n_bumped() {
7485        let ds = continuous_dataset(
7486            &["y", "x1", "x2", "x3", "x4", "x5"],
7487            (0..12)
7488                .map(|i| {
7489                    let x = i as f64 / 11.0;
7490                    vec![x.sin(), x, x * x, x + 0.1, 1.0 - x, (2.0 * x).sin()]
7491                })
7492                .collect(),
7493        );
7494        // Pure 1D Duchon at default options resolves the nullspace to Linear
7495        // (2s < d forces escalation), giving 2 polynomial nullspace columns;
7496        // the well-posedness gate requires num_centers > polynomial_cols, so
7497        // 3 is the smallest valid count. It is still well below the small-N
7498        // bump target of polynomial_cols + 4 = 6, so this exercises the
7499        // "explicit value is honored" path the test name advertises.
7500        let parsed = parse_formula("y ~ duchon(x1, centers=3) + s(x2) + s(x3) + s(x4) + s(x5)")
7501            .expect("parse multi-smooth formula");
7502        let col_map = ds.column_map();
7503        let mut notes = Vec::new();
7504        let terms = build_termspec(
7505            &parsed.terms,
7506            &ds,
7507            &col_map,
7508            &mut notes,
7509            &gam_runtime::resource::ResourcePolicy::default_library(),
7510        )
7511        .expect("build multi-smooth terms");
7512        let SmoothBasisSpec::Duchon { spec, .. } = &terms.smooth_terms[0].basis else {
7513            panic!("expected first smooth to be Duchon");
7514        };
7515        assert!(matches!(
7516            spec.center_strategy,
7517            CenterStrategy::UniformGrid { points_per_dim: 3 }
7518        ));
7519    }
7520
7521    #[test]
7522    fn inferred_tensor_basis_cap_uses_coordinate_support_not_duplicate_rows() {
7523        let mut unique_rows = Vec::new();
7524        for i in 0..50 {
7525            let theta = i as f64 / 50.0;
7526            for j in 0..16 {
7527                let h = -1.0 + 2.0 * (j as f64) / 15.0;
7528                let y = theta.cos() + h;
7529                unique_rows.push(vec![y, theta, h]);
7530            }
7531        }
7532        let mut repeated_rows = Vec::new();
7533        for _ in 0..12 {
7534            repeated_rows.extend(unique_rows.iter().cloned());
7535        }
7536
7537        let unique = continuous_dataset(&["y", "theta", "h"], unique_rows);
7538        let repeated = continuous_dataset(&["y", "theta", "h"], repeated_rows);
7539
7540        let unique_basis = inferred_tensor_basis_product(&unique);
7541        let repeated_basis = inferred_tensor_basis_product(&repeated);
7542
7543        assert_eq!(
7544            unique_basis, repeated_basis,
7545            "duplicating existing tensor coordinates must not inflate inferred basis width"
7546        );
7547    }
7548
7549    #[test]
7550    fn inferred_three_dim_tensor_basis_stays_bounded_for_reml_selection() {
7551        // Regression for gam#813: the inferred per-margin k must be
7552        // dimension-aware so the 3-D tensor width p = ∏ k_d does not explode.
7553        // With the old 1-D-per-margin rule a 3-D `te` defaulted to 7³=343 at
7554        // small n and 20³=8000 at larger n, making the (non-Kronecker-factorable)
7555        // full-tensor sum-to-zero penalty's O(p³) REML reparameterization a
7556        // multi-minute stall. The dimension-aware budget keeps the product near
7557        // mgcv's te default (≈5³=125) regardless of n.
7558        let make = |n: usize| -> usize {
7559            let mut rows = Vec::with_capacity(n);
7560            for i in 0..n {
7561                let f = i as f64 / n as f64;
7562                rows.push(vec![f.sin(), f, (2.0 * f).cos(), (3.0 * f) % 1.0]);
7563            }
7564            let ds = continuous_dataset(&["y", "x1", "x2", "x3"], rows);
7565            let parsed = parse_formula("y ~ te(x1, x2, x3)").expect("parse 3-D tensor");
7566            let col_map = ds.column_map();
7567            let mut notes = Vec::new();
7568            let terms = build_termspec(
7569                &parsed.terms,
7570                &ds,
7571                &col_map,
7572                &mut notes,
7573                &ResourcePolicy::default_library(),
7574            )
7575            .expect("build 3-D tensor termspec");
7576            let SmoothBasisSpec::TensorBSpline { spec, .. } = &terms.smooth_terms[0].basis else {
7577                panic!("expected tensor smooth");
7578            };
7579            spec.marginalspecs
7580                .iter()
7581                .map(|m| match m.knotspec {
7582                    BSplineKnotSpec::Generate {
7583                        num_internal_knots, ..
7584                    } => num_internal_knots + m.degree + 1,
7585                    BSplineKnotSpec::Automatic {
7586                        num_internal_knots: Some(num_internal_knots),
7587                        ..
7588                    } => num_internal_knots + m.degree + 1,
7589                    // The mgcv-default `cr` margin (#1074) reports its basis size
7590                    // as the number of value-knots placed.
7591                    BSplineKnotSpec::NaturalCubicRegression { ref knots } => knots.len(),
7592                    _ => panic!("unexpected tensor margin knotspec"),
7593                })
7594                .product()
7595        };
7596
7597        // n=30 (the issue's data): was 7³=343, must now be modest.
7598        assert!(
7599            make(60) <= 216,
7600            "3-D te at small n must stay near the mgcv te default, got {}",
7601            make(60)
7602        );
7603        // Larger n must NOT grow the product toward n³ (was 20³=8000).
7604        assert!(
7605            make(2000) <= 216,
7606            "3-D te at large n must not blow ∏k toward the data size, got {}",
7607            make(2000)
7608        );
7609    }
7610
7611    #[test]
7612    fn parse_bspline_boundary_conditions_and_side_selector() {
7613        // The `side=left` filter routes the global `anchor=` value to the left
7614        // endpoint (not the right), preserving the non-zero value for the
7615        // affine boundary lift.
7616        let mut opts = BTreeMap::new();
7617        opts.insert("boundary_conditions".to_string(), "anchored".to_string());
7618        opts.insert("side".to_string(), "left".to_string());
7619        opts.insert("anchor".to_string(), "2.5".to_string());
7620        let parsed = parse_bspline_boundary_conditions(&opts).expect("left anchor parses");
7621        assert!(matches!(
7622            parsed.left,
7623            BSplineEndpointBoundaryCondition::Anchored { value } if value == 2.5
7624        ));
7625        assert!(matches!(
7626            parsed.right,
7627            BSplineEndpointBoundaryCondition::Free
7628        ));
7629
7630        // Side-specific aliases (`start_bc`/`end_bc`) plus the side-specific
7631        // anchor key (`right_anchor`) must funnel the value onto the right
7632        // endpoint.
7633        let mut opts = BTreeMap::new();
7634        opts.insert("start_bc".to_string(), "clamped".to_string());
7635        opts.insert("end_bc".to_string(), "zero".to_string());
7636        opts.insert("right_anchor".to_string(), "-1.0".to_string());
7637        let parsed = parse_bspline_boundary_conditions(&opts).expect("right anchor parses");
7638        assert!(matches!(
7639            parsed.left,
7640            BSplineEndpointBoundaryCondition::Clamped
7641        ));
7642        assert!(matches!(
7643            parsed.right,
7644            BSplineEndpointBoundaryCondition::Anchored { value } if value == -1.0
7645        ));
7646
7647        // With anchors at zero the basis builder accepts the configuration,
7648        // so the same alias plumbing yields a clean `Anchored { value: 0.0 }`
7649        // on the right and `Clamped` on the left.
7650        let mut opts = BTreeMap::new();
7651        opts.insert("start_bc".to_string(), "clamped".to_string());
7652        opts.insert("end_bc".to_string(), "zero".to_string());
7653        let parsed = parse_bspline_boundary_conditions(&opts).expect("boundary conditions");
7654        assert!(matches!(
7655            parsed.left,
7656            BSplineEndpointBoundaryCondition::Clamped
7657        ));
7658        assert!(matches!(
7659            parsed.right,
7660            BSplineEndpointBoundaryCondition::Anchored { value } if value.abs() < 1e-12
7661        ));
7662    }
7663
7664    #[test]
7665    fn one_sided_anchor_owns_level_without_sum_to_zero_constraint_1867() {
7666        let ds = continuous_dataset(
7667            &["y", "x"],
7668            (0..32)
7669                .map(|i| {
7670                    let x = i as f64 / 31.0;
7671                    vec![x * (1.0 - x), x]
7672                })
7673                .collect(),
7674        );
7675        let col_map = ds.column_map();
7676
7677        let build = |formula: &str| {
7678            let parsed = parse_formula(formula).expect("parse anchored smooth");
7679            let mut notes = Vec::new();
7680            build_termspec(
7681                &parsed.terms,
7682                &ds,
7683                &col_map,
7684                &mut notes,
7685                &ResourcePolicy::default_library(),
7686            )
7687            .expect("build anchored smooth")
7688        };
7689
7690        let one_sided = build("y ~ s(x, bc_left=anchored, anchor_left=0, k=10)");
7691        let SmoothBasisSpec::BSpline1D { spec, .. } = &one_sided.smooth_terms[0].basis else {
7692            panic!("expected one-dimensional B-spline");
7693        };
7694        assert!(matches!(spec.identifiability, BSplineIdentifiability::None));
7695
7696        // #2297: a two-sided anchor pins BOTH endpoint levels, which strips the
7697        // interior level as well — the smooth owns no free level at all, so
7698        // identifiability drops to `None` (drop-intercept/skip-centering), the
7699        // same ownership rule as the one-sided case above. The former
7700        // `WeightedSumToZero` expectation predates #2297 (2e90c51b7) and would
7701        // double-constrain the anchored level.
7702        let two_sided = build("y ~ s(x, bc_left=anchored, bc_right=anchored, k=10)");
7703        let SmoothBasisSpec::BSpline1D { spec, .. } = &two_sided.smooth_terms[0].basis else {
7704            panic!("expected one-dimensional B-spline");
7705        };
7706        assert!(matches!(spec.identifiability, BSplineIdentifiability::None));
7707
7708        // Control: an un-anchored smooth keeps the default weighted sum-to-zero
7709        // constraint — #2297's anchor rule must not leak into plain smooths.
7710        let plain = build("y ~ s(x, k=10)");
7711        let SmoothBasisSpec::BSpline1D { spec, .. } = &plain.smooth_terms[0].basis else {
7712            panic!("expected one-dimensional B-spline");
7713        };
7714        assert!(matches!(
7715            spec.identifiability,
7716            BSplineIdentifiability::WeightedSumToZero { .. }
7717        ));
7718    }
7719
7720    #[test]
7721    fn categorical_by_numeric_interaction_expands_treatment_coded_cells() {
7722        // `y ~ x:g` is an INTERACTION-ONLY numeric-by-factor model: there is no
7723        // `x` main effect, so the marginal parent that would identify a dropped
7724        // reference level is ABSENT. The expansion must therefore be marginality-
7725        // aware (gam#1158) and DUMMY-code `g` — keep ALL levels — yielding the
7726        // "common intercept, separate slopes" design (one x-slope column per
7727        // group). Treatment-coding here (dropping the reference level) would pin
7728        // the reference group's slope to zero, a rank-deficient fit; that wrong
7729        // behaviour is what this test now guards against. (The treatment-coded
7730        // path is exercised when the `x` parent is present — see
7731        // `categorical_by_numeric_interaction_keeps_treatment_coding_with_parent`.)
7732        let ds = factor_dataset();
7733        // `g` is categorical with two levels (encoded 0.0 → "a", 1.0 → "b").
7734        let parsed = parse_formula("y ~ x:g").expect("parse `y ~ x:g`");
7735        let col_map = ds.column_map();
7736        let mut notes = Vec::new();
7737        let terms = build_termspec(
7738            &parsed.terms,
7739            &ds,
7740            &col_map,
7741            &mut notes,
7742            &ResourcePolicy::default_library(),
7743        )
7744        .expect("factor-aware `x:g` interaction must build, not error");
7745
7746        assert_eq!(
7747            terms.linear_terms.len(),
7748            2,
7749            "interaction-only `x:g` keeps ALL factor levels (full dummy coding): one slope column per group"
7750        );
7751
7752        let x_col = *col_map.get("x").expect("x column");
7753        let g_col = *col_map.get("g").expect("g column");
7754
7755        // Both level gates must appear exactly once across the two cell columns,
7756        // and each cell carries `x` as a product factor (not a raw column for g).
7757        let mut seen_bits = std::collections::HashSet::new();
7758        for term in &terms.linear_terms {
7759            assert!(
7760                term.is_interaction(),
7761                "the categorical-by-numeric cell is a Wilkinson-Rogers interaction"
7762            );
7763            assert_eq!(term.feature_cols, vec![x_col]);
7764            assert_eq!(term.categorical_levels.len(), 1);
7765            let (gate_col, gate_bits) = term.categorical_levels[0];
7766            assert_eq!(gate_col, g_col);
7767            assert!(seen_bits.insert(gate_bits), "each level appears once");
7768
7769            // Realize and check it equals `1[g == gate_bits] * x` row by row.
7770            let column = term
7771                .realized_design_column(ds.values.view())
7772                .expect("realize cell column");
7773            let n = ds.values.nrows();
7774            assert_eq!(column.len(), n);
7775            for row in 0..n {
7776                let x = ds.values[[row, x_col]];
7777                let g = ds.values[[row, g_col]];
7778                let expected = if g.to_bits() == gate_bits { x } else { 0.0 };
7779                assert!(
7780                    (column[row] - expected).abs() < 1e-12,
7781                    "row {row}: g={g}, x={x}, expected {expected}, got {}",
7782                    column[row]
7783                );
7784            }
7785        }
7786        // Both the reference level "a" (0.0) and the non-reference "b" (1.0) are
7787        // kept — the reference level is NOT dropped in the interaction-only form.
7788        assert!(seen_bits.contains(&0.0_f64.to_bits()));
7789        assert!(seen_bits.contains(&1.0_f64.to_bits()));
7790    }
7791
7792    #[test]
7793    fn categorical_by_numeric_interaction_keeps_treatment_coding_with_parent() {
7794        // With the `x` main effect PRESENT (`y ~ x + x:g`), the marginal parent
7795        // that identifies a dropped reference level exists, so `x:g` keeps its
7796        // historical treatment coding: the reference level "a" is dropped and
7797        // only the non-reference slope-deviation column for "b" is emitted. This
7798        // guards that the marginality-aware fix (gam#1158) does NOT regress the
7799        // parent-present form, which must stay column-space-identical to mgcv's
7800        // `x + x:g`.
7801        let ds = factor_dataset();
7802        let parsed = parse_formula("y ~ x + x:g").expect("parse `y ~ x + x:g`");
7803        let col_map = ds.column_map();
7804        let mut notes = Vec::new();
7805        let terms = build_termspec(
7806            &parsed.terms,
7807            &ds,
7808            &col_map,
7809            &mut notes,
7810            &ResourcePolicy::default_library(),
7811        )
7812        .expect("`x + x:g` must build");
7813
7814        // One main-effect `x` column plus one treatment-coded interaction cell.
7815        let x_col = *col_map.get("x").expect("x column");
7816        let g_col = *col_map.get("g").expect("g column");
7817        let interaction_cells: Vec<_> = terms
7818            .linear_terms
7819            .iter()
7820            .filter(|t| t.is_interaction())
7821            .collect();
7822        assert_eq!(
7823            interaction_cells.len(),
7824            1,
7825            "with `x` present, `x:g` is treatment-coded → one cell (reference dropped)"
7826        );
7827        let term = interaction_cells[0];
7828        assert_eq!(term.feature_cols, vec![x_col]);
7829        assert_eq!(term.categorical_levels.len(), 1);
7830        let (gate_col, gate_bits) = term.categorical_levels[0];
7831        assert_eq!(gate_col, g_col);
7832        // The dropped reference is "a" (0.0); the kept gate is "b" (1.0).
7833        assert_eq!(gate_bits, 1.0_f64.to_bits());
7834    }
7835
7836    #[test]
7837    fn categorical_by_categorical_interaction_expands_full_cross_cells() {
7838        // `y ~ f:g` is an INTERACTION-ONLY factor-by-factor model: neither `f`
7839        // nor `g` appears as a main effect, so neither marginal parent is
7840        // present and BOTH factors must be dummy-coded (gam#1159). The correct
7841        // design is the SATURATED cell-means model: the full cross of ALL levels
7842        // (3 * 2 = 6 cells) minus ONE reference cell (the lexicographically-first
7843        // level of every factor, here f0:g0) absorbed by the intercept — rank
7844        // 6-1 = 5 cell columns + intercept, column-space-identical to `f*g`.
7845        // Treatment-coding both factors (the old behaviour) kept only
7846        // (3-1)*(2-1) = 2 cells and collapsed the rest onto the intercept, a
7847        // rank-deficient fit; that is the bug this test now guards against.
7848        let n = 30usize;
7849        let mut rows = Vec::with_capacity(n);
7850        for i in 0..n {
7851            let y = (i as f64).sin();
7852            let f = (i % 3) as f64; // 3 levels: 0,1,2
7853            let g = (i % 2) as f64; // 2 levels: 0,1
7854            rows.push(vec![y, f, g]);
7855        }
7856        let values = Array2::from_shape_vec(
7857            (n, 3),
7858            rows.into_iter().flat_map(|row| row.into_iter()).collect(),
7859        )
7860        .expect("rectangular cross-factor data");
7861        let ds = Dataset {
7862            headers: vec!["y".into(), "f".into(), "g".into()],
7863            values,
7864            schema: DataSchema {
7865                columns: vec![
7866                    SchemaColumn {
7867                        name: "y".into(),
7868                        kind: ColumnKindTag::Continuous,
7869                        levels: vec![],
7870                    },
7871                    SchemaColumn {
7872                        name: "f".into(),
7873                        kind: ColumnKindTag::Categorical,
7874                        levels: vec!["f0".into(), "f1".into(), "f2".into()],
7875                    },
7876                    SchemaColumn {
7877                        name: "g".into(),
7878                        kind: ColumnKindTag::Categorical,
7879                        levels: vec!["g0".into(), "g1".into()],
7880                    },
7881                ],
7882            },
7883            column_kinds: vec![
7884                ColumnKindTag::Continuous,
7885                ColumnKindTag::Categorical,
7886                ColumnKindTag::Categorical,
7887            ],
7888        };
7889
7890        let parsed = parse_formula("y ~ f:g").expect("parse `y ~ f:g`");
7891        let col_map = ds.column_map();
7892        let mut notes = Vec::new();
7893        let terms = build_termspec(
7894            &parsed.terms,
7895            &ds,
7896            &col_map,
7897            &mut notes,
7898            &ResourcePolicy::default_library(),
7899        )
7900        .expect("factor-by-factor `f:g` interaction must build, not error");
7901
7902        assert_eq!(
7903            terms.linear_terms.len(),
7904            5,
7905            "saturated 3*2 = 6 cross cells minus one reference cell (f0:g0) = 5"
7906        );
7907
7908        let f_col = *col_map.get("f").expect("f column");
7909        let g_col = *col_map.get("g").expect("g column");
7910        // The dropped reference cell pairs each factor's lexicographically-first
7911        // level: f0 (0.0) and g0 (0.0). It must NOT appear among the emitted
7912        // cells; every OTHER cross cell must.
7913        let f0 = 0.0_f64.to_bits();
7914        let g0 = 0.0_f64.to_bits();
7915        let mut emitted = std::collections::HashSet::new();
7916        for term in &terms.linear_terms {
7917            // No numeric operand: the realized column is a pure cell indicator.
7918            assert!(term.feature_cols.is_empty());
7919            assert_eq!(term.categorical_levels.len(), 2);
7920            let mut gates = std::collections::HashMap::new();
7921            for &(col, bits) in &term.categorical_levels {
7922                gates.insert(col, bits);
7923            }
7924            let f_bits = *gates.get(&f_col).expect("f gate present");
7925            let g_bits = *gates.get(&g_col).expect("g gate present");
7926            // The reference cell f0:g0 must have been dropped.
7927            assert!(
7928                !(f_bits == f0 && g_bits == g0),
7929                "the reference cell f0:g0 must be absorbed by the intercept, not emitted"
7930            );
7931            emitted.insert((f_bits, g_bits));
7932
7933            let column = term
7934                .realized_design_column(ds.values.view())
7935                .expect("realize cross cell");
7936            for row in 0..n {
7937                let f = ds.values[[row, f_col]];
7938                let g = ds.values[[row, g_col]];
7939                let expected = if f.to_bits() == f_bits && g.to_bits() == g_bits {
7940                    1.0
7941                } else {
7942                    0.0
7943                };
7944                assert!(
7945                    (column[row] - expected).abs() < 1e-12,
7946                    "row {row}: expected {expected}, got {}",
7947                    column[row]
7948                );
7949            }
7950            assert!(
7951                column.iter().any(|&v| v == 1.0),
7952                "each cross cell must be observed in the data"
7953            );
7954        }
7955        // Every non-reference cross cell is present exactly once: all 6 cells
7956        // except f0:g0.
7957        let f_levels = [0.0_f64.to_bits(), 1.0_f64.to_bits(), 2.0_f64.to_bits()];
7958        let g_levels = [0.0_f64.to_bits(), 1.0_f64.to_bits()];
7959        for &fb in &f_levels {
7960            for &gb in &g_levels {
7961                if fb == f0 && gb == g0 {
7962                    continue;
7963                }
7964                assert!(
7965                    emitted.contains(&(fb, gb)),
7966                    "saturated cross cell must be present"
7967                );
7968            }
7969        }
7970    }
7971
7972    /// #1561 by-group representation floor: a factor-by radial smooth's
7973    /// per-level blocks each see only their level's rows, so the n-scaling
7974    /// DEFAULT center count must size from the smallest level, not the pooled
7975    /// row count (measured: pooled sizing gave ~50 centers per 100-row level
7976    /// and an unconditionable mean block whose truth-recovery no λ could fix).
7977    #[test]
7978    fn by_level_thin_plate_sizes_default_centers_from_the_smallest_level() {
7979        let n_a = 60usize;
7980        let n_b = 180usize;
7981        let rows: Vec<Vec<f64>> = (0..(n_a + n_b))
7982            .map(|i| {
7983                let in_a = i < n_a;
7984                let x = if in_a {
7985                    i as f64 / (n_a - 1) as f64
7986                } else {
7987                    (i - n_a) as f64 / (n_b - 1) as f64
7988                };
7989                let g = if in_a { 0.0 } else { 1.0 };
7990                vec![x + g, x, g]
7991            })
7992            .collect();
7993        let ds = Dataset {
7994            headers: vec!["y".into(), "x".into(), "g".into()],
7995            values: Array2::from_shape_vec(
7996                (rows.len(), 3),
7997                rows.into_iter().flat_map(|row| row.into_iter()).collect(),
7998            )
7999            .expect("rectangular by-level test data"),
8000            schema: DataSchema {
8001                columns: vec![
8002                    SchemaColumn {
8003                        name: "y".into(),
8004                        kind: ColumnKindTag::Continuous,
8005                        levels: vec![],
8006                    },
8007                    SchemaColumn {
8008                        name: "x".into(),
8009                        kind: ColumnKindTag::Continuous,
8010                        levels: vec![],
8011                    },
8012                    SchemaColumn {
8013                        name: "g".into(),
8014                        kind: ColumnKindTag::Categorical,
8015                        levels: vec!["a".into(), "b".into()],
8016                    },
8017                ],
8018            },
8019            column_kinds: vec![
8020                ColumnKindTag::Continuous,
8021                ColumnKindTag::Continuous,
8022                ColumnKindTag::Categorical,
8023            ],
8024        };
8025        let build_tp = |with_by: bool| -> SmoothBasisSpec {
8026            let mut options = BTreeMap::new();
8027            options.insert("bs".to_string(), "tps".to_string());
8028            if with_by {
8029                options.insert("by".to_string(), "g".to_string());
8030                options.insert("__by_col".to_string(), "2".to_string());
8031            }
8032            let mut notes = Vec::new();
8033            build_smooth_basis(
8034                SmoothKind::S,
8035                &["x".to_string()],
8036                &[1],
8037                &options,
8038                &ds,
8039                &mut notes,
8040                &ResourcePolicy::default_library(),
8041                1,
8042            )
8043            .expect("thin-plate basis builds")
8044        };
8045        let pooled = build_tp(false);
8046        let by_level = build_tp(true);
8047        let tp_centers = |basis: &SmoothBasisSpec| -> usize {
8048            match basis {
8049                SmoothBasisSpec::ThinPlate { spec, .. } => {
8050                    spec.center_strategy.planned_num_centers(1)
8051                }
8052                SmoothBasisSpec::BySmooth { smooth, .. } => match smooth.as_ref() {
8053                    SmoothBasisSpec::ThinPlate { spec, .. } => {
8054                        spec.center_strategy.planned_num_centers(1)
8055                    }
8056                    other => panic!("expected ThinPlate inside BySmooth, got {other:?}"),
8057                },
8058                other => panic!("expected ThinPlate, got {other:?}"),
8059            }
8060        };
8061        let pooled_centers = tp_centers(&pooled);
8062        let by_centers = tp_centers(&by_level);
8063        assert!(
8064            by_centers < pooled_centers,
8065            "by-level default centers must size from the smallest level: \
8066             by={by_centers} pooled={pooled_centers}"
8067        );
8068        // The by-level default must agree with a direct build on a dataset of
8069        // the smallest level's size (the block's true effective sample).
8070        let ds_small = continuous_dataset(
8071            &["y", "x"],
8072            (0..n_a)
8073                .map(|i| {
8074                    let x = i as f64 / (n_a - 1) as f64;
8075                    vec![x, x]
8076                })
8077                .collect(),
8078        );
8079        let mut small_options = BTreeMap::new();
8080        small_options.insert("bs".to_string(), "tps".to_string());
8081        let mut notes = Vec::new();
8082        let small = build_smooth_basis(
8083            SmoothKind::S,
8084            &["x".to_string()],
8085            &[1],
8086            &small_options,
8087            &ds_small,
8088            &mut notes,
8089            &ResourcePolicy::default_library(),
8090            1,
8091        )
8092        .expect("small-level thin-plate basis builds");
8093        assert_eq!(
8094            by_centers,
8095            tp_centers(&small),
8096            "by-level default must equal the smallest level's own default"
8097        );
8098    }
8099}