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gam_identifiability/families/
compiler.rs

1//! Family-agnostic identifiability compiler.
2//!
3//! Single source of truth for cross-block W-metric residualisation across
4//! every blockwise family (BMS, SMGS, …). Row-Jacobian compiler that
5//! orthogonalises parameter blocks in the *row primary-state* metric `H_i`. Each block
6//! exposes a [`RowJacobianOperator`] that maps a coefficient perturbation
7//! `δβ ∈ R^p` to its contribution to the per-row primary state
8//! `u_i ∈ R^K`. The compiler walks the supplied ordering left-to-right,
9//! solves the weighted Gram system against the cumulative anchor, and
10//! emits a [`CompiledBlock`] per stage. A post-walk column-pivoted QR
11//! audit on the joint primary-state design deterministically drops
12//! trailing pivots from the latest block when joint rank is lost.
13
14use std::ops::Range;
15use std::sync::Arc;
16
17use ndarray::{Array1, Array2, Array3, Axis, s};
18
19use faer::Side;
20use gam_linalg::decision::{RankDecision, certified_rank, equilibrate_gram};
21use gam_linalg::faer_ndarray::{
22    FaerEigh, default_rrqr_rank_alpha, fast_ab, fast_ata, fast_atb, fast_xt_diag_y,
23    rrqr_with_permutation,
24};
25
26/// Slack factor (multiples of machine ε) for the rank-revealing eigenvalue
27/// threshold used when pseudo-inverting a Gram matrix or selecting the
28/// positive eigenspace of a residual Gram. The retain threshold is
29/// `scale · RANK_REVEAL_EPS_SLACK · size · ε`, where `scale` is the dominant
30/// eigenvalue (and matrix size accounts for the worst-case roundoff
31/// accumulation in the `O(size)` inner products forming each Gram entry). 64×
32/// keeps numerically-zero directions out of the kept subspace while preserving
33/// every genuinely identified direction at large-scale conditioning.
34const RANK_REVEAL_EPS_SLACK: f64 = 64.0;
35
36/// Two-sided multiplicative half-gap for the certified-rank guard band (issue
37/// #2337 §9-step-6). A rank decision is host-stable only when no equilibrated
38/// eigenvalue lands inside `(τ/(1+gap), τ·(1+gap))`. `gap = 1.0` (a factor-of-2
39/// band on each side) is used purely to *observe* Ambiguous frequency in this
40/// stage-1, observe-only rollout; the actual retained rank still comes from the
41/// unchanged threshold count.
42const RANK_DECISION_GAP: f64 = 1.0;
43
44/// Maps a coefficient perturbation `δβ ∈ R^p` for one parameter block into
45/// its contribution to the per-row primary state `u_i ∈ R^K`.
46///
47/// For affine blocks (everything in this compiler), `J_i = ∂u_i/∂β_block` is
48/// independent of `β` and equals the transposed row of the block's effective
49/// design matrix lifted into `R^K`.
50pub trait RowJacobianOperator: Send + Sync {
51    /// Dimension of the row primary state (survival marginal-slope: `3 + K`
52    /// for `K` score coordinates; Bernoulli: 1).
53    fn k(&self) -> usize;
54
55    /// Number of coefficients in this block (= width of `J_i`).
56    fn ncols(&self) -> usize;
57
58    /// Number of training rows.
59    fn nrows(&self) -> usize;
60
61    /// Apply the row Jacobian: writes `J_i · δβ ∈ R^K` for `row` into `out`.
62    fn apply_row(&self, row: usize, delta_beta: &[f64], out: &mut [f64]);
63
64    /// Materialise the full operator as an `(n_rows × ncols × K)` tensor.
65    fn evaluate_full(&self) -> Array3<f64>;
66
67    /// Build the sqrt(H)-scaled design `W = stack_i sqrt(H_i) · J_i`, flattened
68    /// channel-major to `(n_rows·K × ncols)`.
69    ///
70    /// This is the representation the identifiability *compiler*
71    /// ([`compile_with_dual_metric`]) actually consumes — it residualises and
72    /// eigendecomposes Grams of `W`, and never indexes the per-row `(n, p, K)`
73    /// tensor element-wise. Requesting the scaled design directly lets an
74    /// operator with a structured / streaming form supply it without
75    /// materialising and cloning the whole `O(n·p·K)` tensor; the default
76    /// implementation routes through [`evaluate_full`] so existing operators
77    /// remain correct unchanged. (#738: a capability is not a representation —
78    /// the compiler asks for the scaled design it needs, not the dense tensor.)
79    ///
80    /// [`evaluate_full`]: RowJacobianOperator::evaluate_full
81    /// [`compile_with_dual_metric`]: crate::families::compiler::compile_with_dual_metric
82    fn scaled_design_by_sqrt_h(&self, h_full: &Array3<f64>) -> Array2<f64> {
83        scale_block_by_sqrt_h(&self.evaluate_full(), h_full)
84    }
85
86    /// Write the channel-flattened column `col` — the `(n_rows · K)` vector
87    /// whose entry `i·K + ch` is `J[i, col, ch]` — into `out`.
88    ///
89    /// This is the representation the identifiability *audit* actually consumes
90    /// (per-column leverage statistics and pairwise overlaps), as opposed to the
91    /// dense `(n, p, K)` tensor. Requesting a column directly lets an operator
92    /// that has a structured / streaming form supply it without materialising
93    /// and cloning the whole `O(n·p·K)` tensor on every audit pass; the default
94    /// implementation routes through [`evaluate_full`] so existing operators
95    /// remain correct unchanged. (#738: a capability is not a representation —
96    /// the audit asks for the column view it needs, not the tensor.)
97    ///
98    /// [`evaluate_full`]: RowJacobianOperator::evaluate_full
99    fn channel_flattened_column(&self, col: usize, out: &mut [f64]) {
100        let k = self.k();
101        let n = self.nrows();
102        assert!(
103            col < self.ncols(),
104            "channel_flattened_column col {col} out of range {}",
105            self.ncols()
106        );
107        assert_eq!(
108            out.len(),
109            n * k,
110            "channel_flattened_column out length {} != n*k = {}*{}",
111            out.len(),
112            n,
113            k
114        );
115        let full = self.evaluate_full();
116        for i in 0..n {
117            for ch in 0..k {
118                out[i * k + ch] = full[[i, col, ch]];
119            }
120        }
121    }
122
123    /// Write channel-flattened rows for `rows` into `out`.
124    ///
125    /// `out` has shape `(rows.len() * K, ncols)`, with row
126    /// `local_row * K + channel` holding `J[row, :, channel]`. The default
127    /// implementation materialises the full tensor for legacy operators; large
128    /// construction-time adapters override this to stream row chunks.
129    fn channel_flattened_rows(&self, rows: Range<usize>, out: &mut Array2<f64>) {
130        let n = self.nrows();
131        let start = rows.start.min(n);
132        let end = rows.end.min(n);
133        let chunk = end - start;
134        let k = self.k();
135        let p = self.ncols();
136        assert_eq!(out.shape(), &[chunk * k, p]);
137        let full = self.evaluate_full();
138        for local_i in 0..chunk {
139            let row = start + local_i;
140            for ch in 0..k {
141                for col in 0..p {
142                    out[[local_i * k + ch, col]] = full[[row, col, ch]];
143                }
144            }
145        }
146    }
147}
148
149/// Per-row `K × K` PSD Hessian of `−log L_i(u_i)` evaluated at a pilot β.
150pub trait RowHessian: Send + Sync {
151    fn k(&self) -> usize;
152    fn nrows(&self) -> usize;
153    /// Fill the `K × K` block at `row` into `out` (row-major).
154    fn fill_row(&self, row: usize, out: &mut [f64]);
155    /// Materialise full `(n_rows × K × K)` tensor.
156    fn evaluate_full(&self) -> Array3<f64>;
157}
158
159/// Identity row metric: `K^S_i = I_K` for every row. Default structural
160/// metric for [`compile_with_dual_metric`]. Decoupling the
161/// "which directions are real structural columns" decision from a
162/// possibly rank-deficient pilot curvature `H` prevents the compiler from
163/// wrongly dropping columns whose curvature happens to be zero at the
164/// pilot β but which would be kept at the optimum.
165pub struct IdentityRowHessian {
166    n: usize,
167    k: usize,
168}
169
170impl IdentityRowHessian {
171    /// Construct an identity row metric with `n` rows and `K`-channel
172    /// row primary state.
173    pub fn new(n: usize, k: usize) -> Self {
174        Self { n, k }
175    }
176}
177
178impl RowHessian for IdentityRowHessian {
179    fn k(&self) -> usize {
180        self.k
181    }
182    fn nrows(&self) -> usize {
183        self.n
184    }
185    fn fill_row(&self, row: usize, out: &mut [f64]) {
186        assert!(
187            row < self.n,
188            "IdentityRowHessian::fill_row row {row} out of range {n}",
189            n = self.n
190        );
191        assert_eq!(out.len(), self.k * self.k);
192        for i in 0..self.k {
193            for j in 0..self.k {
194                out[i * self.k + j] = if i == j { 1.0 } else { 0.0 };
195            }
196        }
197    }
198    fn evaluate_full(&self) -> Array3<f64> {
199        let mut out = Array3::<f64>::zeros((self.n, self.k, self.k));
200        for i in 0..self.n {
201            for c in 0..self.k {
202                out[[i, c, c]] = 1.0;
203            }
204        }
205        out
206    }
207}
208
209/// One compiled block: reparam matrix `V` (`t_lw`) and the optional anchor
210/// correction matrix `M` that downstream blocks consume as a first-class
211/// anchor.
212pub struct CompiledBlock {
213    /// Orthogonal-complement reparam matrix `V ∈ R^{p × p'}` (right-selector).
214    pub t_lw: Array2<f64>,
215    /// Residualised anchor correction `M ∈ R^{d_raw × p'}` at the compiled
216    /// width, expressed in *raw* cumulative-anchor-column coordinates: `d_raw`
217    /// is the sum of the raw column counts of every prior block, NOT the
218    /// (possibly smaller) count of kept anchor directions. The predict-time
219    /// row contribution is `(C(x)·V − A_raw(x)·M)·β`, where `A_raw(x)` is the
220    /// raw anchor evaluation. `None` for the first block in the ordering.
221    /// Synonymous with `r_lw`.
222    pub anchor_correction: Option<Array2<f64>>,
223    /// Residualised reparam `R_b = M_b · V_b` — what the residualised row
224    /// evaluator uses to subtract the anchor portion. `None` for the first
225    /// block in the ordering (no anchor). Equal to `anchor_correction`.
226    pub r_lw: Option<Array2<f64>>,
227}
228
229/// Output of [`compile`]: one [`CompiledBlock`] per input block plus the
230/// joint pre-fit audit verdict.
231pub struct CompiledBlocks {
232    pub blocks: Vec<CompiledBlock>,
233    /// Joint rank reported by the post-walk column-pivoted QR audit.
234    pub joint_rank: usize,
235    /// Columns deterministically dropped by the audit, as
236    /// `(block_idx, local_col)`. The audit drops only from the latest block.
237    pub dropped: Vec<(usize, usize)>,
238}
239
240/// Structural relationship between one raw penalized block and the higher-priority
241/// anchor already accepted by the identifiability compiler.
242#[derive(Debug, Clone, Copy, PartialEq, Eq)]
243pub enum PenalizedDirectionAnnotationKind {
244    /// The block kept its full realized-design span; none of its penalized
245    /// directions were already represented by a higher-priority block.
246    Independent,
247    /// Some, but not all, raw directions were absorbed by the higher-priority
248    /// anchor. The kept width is the independent residual span.
249    PartiallyAbsorbedByHigherPriority,
250    /// The entire block was the same realized-design direction/span as the
251    /// higher-priority anchor and therefore contributes no independent
252    /// coefficients or smoothing parameter directions.
253    FullyAbsorbedByHigherPriority,
254}
255
256/// Per-block structural annotation emitted by [`orthogonalize_design_blocks`].
257#[derive(Debug, Clone, Copy, PartialEq, Eq)]
258pub struct PenalizedDirectionAnnotation {
259    pub block_idx: usize,
260    pub raw_width: usize,
261    pub kept_width: usize,
262    pub absorbed_width: usize,
263    pub kind: PenalizedDirectionAnnotationKind,
264}
265
266/// Errors raised by [`compile`].
267#[derive(Debug)]
268pub enum CompilerError {
269    /// Operator/Hessian/ordering dimensions are inconsistent.
270    DimensionMismatch(String),
271    /// A supplied row metric is not a finite positive-semidefinite weight.
272    InvalidMetric(String),
273    /// A block degenerated to zero residual span — fully aliased by the
274    /// cumulative anchor in the row metric.
275    FullyAliased { block_idx: usize, reason: String },
276    /// A linear-algebra step failed (Gram solve, eigendecomposition, QR).
277    LinalgFailure(String),
278    /// CUDA was configured for this compile, but probing the runtime failed.
279    GpuFailure(String),
280}
281
282impl std::fmt::Display for CompilerError {
283    fn fmt(&self, f: &mut std::fmt::Formatter<'_>) -> std::fmt::Result {
284        match self {
285            CompilerError::DimensionMismatch(msg) => write!(f, "dimension mismatch: {msg}"),
286            CompilerError::InvalidMetric(msg) => write!(f, "invalid row metric: {msg}"),
287            CompilerError::FullyAliased { block_idx, reason } => {
288                write!(f, "block {block_idx} fully aliased: {reason}")
289            }
290            CompilerError::LinalgFailure(msg) => write!(f, "linalg failure: {msg}"),
291            CompilerError::GpuFailure(msg) => write!(f, "GPU failure: {msg}"),
292        }
293    }
294}
295
296impl std::error::Error for CompilerError {}
297
298/// Semantic block label. The compiler does not need to know what the block
299/// *is*, only its relative order — but downstream consumers (per-family
300/// install paths) tag the input operators with these labels so that the
301/// compiled output can be routed back to the right runtime slot.
302#[derive(Debug, Clone, Copy, PartialEq, Eq)]
303pub enum BlockOrder {
304    Time,
305    Marginal,
306    Logslope,
307    ScoreWarp,
308    LinkDev,
309}
310
311/// Compile a sequence of row-Jacobian operators against a shared row
312/// Hessian. Walks `ordering` left-to-right, residualising each block
313/// against the cumulative anchor in the `H_i`-weighted row metric, then
314/// performs a joint-design audit and emits one [`CompiledBlock`] per
315/// input (in the same order as `operators`).
316///
317/// `ordering` parallels `operators` and supplies the semantic label for
318/// each block. The compiler treats `ordering[i]` purely as metadata —
319/// the *position* `i` is the residualisation order.
320pub fn compile(
321    operators: &[Arc<dyn RowJacobianOperator>],
322    row_hess: &dyn RowHessian,
323    ordering: &[BlockOrder],
324) -> Result<CompiledBlocks, CompilerError> {
325    compile_protected(operators, row_hess, ordering, &[])
326}
327
328/// Variant of [`compile`] that keeps designated blocks at full raw width.
329///
330/// `protected[b] == true` forces block `b` to retain every raw column,
331/// suppressing both the structural and curvature eigenspace drops for that
332/// block while still using it as a full-width anchor for later blocks. See
333/// [`compile_from_raw_grams_protected`] for the motivation: a block whose
334/// effective Jacobian is a fixed nonlinear functional basis (e.g. the survival
335/// marginal-slope time-wiggle block) cannot be expressed on a linearly reduced
336/// design, so it must not be reparameterised/dropped. `protected` may be
337/// shorter than `ordering`; an empty slice reproduces [`compile`] exactly.
338pub fn compile_protected(
339    operators: &[Arc<dyn RowJacobianOperator>],
340    row_hess: &dyn RowHessian,
341    ordering: &[BlockOrder],
342    protected: &[bool],
343) -> Result<CompiledBlocks, CompilerError> {
344    // Default structural metric is the per-row identity `K^S_i = I_K`.
345    // A pilot-curvature `H` can collapse a direction (zero eigenvalue) at
346    // a bad β even though the optimum keeps that direction; routing the
347    // rank decision through the structural metric and reserving `H` for
348    // *within-kept-subspace* curvature handling prevents that mis-drop.
349    let n = row_hess.nrows();
350    let k = row_hess.k();
351    let id_struct = IdentityRowHessian::new(n, k);
352    compile_with_dual_metric_protected(operators, row_hess, &id_struct, ordering, protected)
353}
354
355/// Compile a sequence of row-Jacobian operators using *separate* metrics
356/// for structural rank decisions and curvature-aware orthogonalisation.
357///
358/// - `row_hess` is the curvature row metric `K^H_i` (a PSD-clamped Hessian
359///   of `−log L_i(u_i)` at a pilot β).
360/// - `row_structural` is the structural row metric `K^S_i` — typically an
361///   [`IdentityRowHessian`] — used only to decide which columns survive
362///   block-against-block residualisation. A direction that the curvature
363///   `K^H` happens to see as zero at a bad pilot β is *not* dropped here
364///   as long as it is structurally non-degenerate.
365///
366/// Per-block algorithm (left-to-right walk over `ordering`):
367///
368/// 1. Residualise the block in the structural metric against the
369///    cumulative structural anchor; eigendecompose the structural residual
370///    Gram and drop only structural-zero eigenvalues → kept basis `D`
371///    (raw-block selector).
372/// 2. Residualise `W^H_b · D` in the curvature metric against the
373///    cumulative curvature anchor → curvature anchor correction
374///    `M^H_inner` and residual `R^H`.
375/// 3. Eigendecompose the curvature Gram of `R^H` and drop curvature-zero
376///    directions (a *within*-structurally-kept curvature alias is a true
377///    redundancy) → rotation/selector `T_inner`.
378/// 4. Compose: `V = D · T_inner`; compiled anchor correction is
379///    `M^H_inner · T_inner` so the predict-time row contribution stays
380///    `(C(x) · V − A(x) · anchor_correction) · β`.
381///
382/// When `row_structural` and `row_hess` represent the same metric (e.g.
383/// `compile()` with an identity row Hessian on both sides), the two
384/// passes collapse to the single-metric loop.
385pub fn compile_with_dual_metric(
386    operators: &[Arc<dyn RowJacobianOperator>],
387    row_hess: &dyn RowHessian,
388    row_structural: &dyn RowHessian,
389    ordering: &[BlockOrder],
390) -> Result<CompiledBlocks, CompilerError> {
391    compile_with_dual_metric_protected(operators, row_hess, row_structural, ordering, &[])
392}
393
394/// Variant of [`compile_with_dual_metric`] that keeps designated blocks at full
395/// raw width (see [`compile_protected`] / [`compile_from_raw_grams_protected`]
396/// for the motivation). `protected[b] == true` replaces block `b`'s structural
397/// and curvature eigenspace drops with identity, so the block emerges at full
398/// raw width while still anchoring later blocks. `protected` may be shorter
399/// than `ordering`; an empty slice reproduces [`compile_with_dual_metric`].
400pub fn compile_with_dual_metric_protected(
401    operators: &[Arc<dyn RowJacobianOperator>],
402    row_hess: &dyn RowHessian,
403    row_structural: &dyn RowHessian,
404    ordering: &[BlockOrder],
405    protected: &[bool],
406) -> Result<CompiledBlocks, CompilerError> {
407    if operators.len() != ordering.len() {
408        return Err(CompilerError::DimensionMismatch(format!(
409            "operators ({}) and ordering ({}) length mismatch",
410            operators.len(),
411            ordering.len()
412        )));
413    }
414    if operators.is_empty() {
415        return Ok(CompiledBlocks {
416            blocks: Vec::new(),
417            joint_rank: 0,
418            dropped: Vec::new(),
419        });
420    }
421
422    let k = row_hess.k();
423    let n = row_hess.nrows();
424    if row_structural.k() != k {
425        return Err(CompilerError::DimensionMismatch(format!(
426            "structural row metric has K={} but curvature row Hessian has K={k}",
427            row_structural.k()
428        )));
429    }
430    if row_structural.nrows() != n {
431        return Err(CompilerError::DimensionMismatch(format!(
432            "structural row metric has nrows={} but curvature row Hessian has nrows={n}",
433            row_structural.nrows()
434        )));
435    }
436    for (idx, op) in operators.iter().enumerate() {
437        if op.k() != k {
438            return Err(CompilerError::DimensionMismatch(format!(
439                "operator {idx} has K={} but row Hessian has K={k}",
440                op.k()
441            )));
442        }
443        if op.nrows() != n {
444            return Err(CompilerError::DimensionMismatch(format!(
445                "operator {idx} has nrows={} but row Hessian has nrows={n}",
446                op.nrows()
447            )));
448        }
449    }
450
451    // Materialise once per metric. K is tiny (1 or 4) so the K×K
452    // symmetric-sqrt cost is dominated by the joint-design audit below.
453    let h_full = row_hess.evaluate_full();
454    let s_full = row_structural.evaluate_full();
455
456    // Request each block's sqrt(H)-scaled design directly through the intent
457    // accessor — the `(n·K, p)` representation the compiler actually consumes —
458    // instead of first materialising the dense `(n, p, K)` per-row tensor and
459    // scaling it. The default `scaled_design_by_sqrt_h` impl still routes
460    // through `evaluate_full()`, so operators without a structured form stay
461    // correct unchanged; a streaming operator (e.g. `BlockJacobianAsRowOp`)
462    // overrides it to scale straight out of its stored layout, dropping the
463    // `O(n·p·K)` tensor clone that `evaluate_full()` performs per block at
464    // large-scale `n`. (#738: a capability is not a representation — the compiler
465    // asks for the scaled design it needs, never the dense tensor.)
466    let scaled_h: Vec<Array2<f64>> = operators
467        .iter()
468        .map(|op| op.scaled_design_by_sqrt_h(&h_full))
469        .collect();
470    let scaled_s: Vec<Array2<f64>> = operators
471        .iter()
472        .map(|op| op.scaled_design_by_sqrt_h(&s_full))
473        .collect();
474
475    let mut compiled: Vec<CompiledBlock> = Vec::with_capacity(operators.len());
476    // Demotions that happen *inside* the per-block walk (a structurally-kept
477    // block losing all its directions to a higher-priority anchor in the
478    // structural or curvature pass) are recorded here, one entry per demoted
479    // raw column, in the same `(block_idx, local_col)` convention that
480    // `audit_and_drop_trailing_pivots` emits at the joint-audit step. Without
481    // this, a zero-width demotion vanished from `dropped`, breaking the
482    // `kept_width + dropped_count == structural_pre_audit_width` accounting.
483    let mut walk_demotions: Vec<(usize, usize)> = Vec::new();
484    let mut anchor_h: Array2<f64> = Array2::zeros((n * k, 0));
485    let mut anchor_s: Array2<f64> = Array2::zeros((n * k, 0));
486    // Cumulative *raw* (un-residualised) curvature-scaled anchor: the
487    // horizontal stack of `sqrt(H)·J_b` for every block already walked,
488    // keeping one column per raw block column. Where `anchor_h` carries the
489    // residualised, kept-direction anchor (its width shrinks whenever a block
490    // sheds an aliased column), this matrix keeps the full raw column count so
491    // the emitted `anchor_correction` can be expressed in raw-anchor-column
492    // coordinates — exactly the basis the predict-time subtraction
493    // `A_raw(x)·M` evaluates against. See the `M_raw` derivation below.
494    let mut raw_anchor_h: Array2<f64> = Array2::zeros((n * k, 0));
495
496    for idx in 0..operators.len() {
497        let w_h = &scaled_h[idx];
498        let w_s = &scaled_s[idx];
499        let p_b = w_h.ncols();
500        let block_protected = protected.get(idx).copied().unwrap_or(false);
501
502        // A zero-width block owns no raw columns, so it cannot alias against any
503        // anchor and is trivially identifiable. Emit an empty compiled block and
504        // skip the structural/curvature passes: their residual Grams are 0×0 and
505        // yield no positive eigenspace, which the `anchor_h.ncols() == 0`
506        // first-block guards below would otherwise mis-report as `FullyAliased`
507        // even though there is nothing to alias. This mirrors the empty block a
508        // fully-absorbed later block compiles to, with no demotions to record
509        // (there are no columns) and no change to the running anchors.
510        if p_b == 0 {
511            compiled.push(CompiledBlock {
512                t_lw: Array2::<f64>::zeros((0, 0)),
513                anchor_correction: Some(Array2::<f64>::zeros((raw_anchor_h.ncols(), 0))),
514                r_lw: Some(Array2::<f64>::zeros((raw_anchor_h.ncols(), 0))),
515            });
516            continue;
517        }
518
519        // Pass 1 (structural): residualise W^S_b against cumulative
520        // structural anchor; eigendecompose the structural residual Gram
521        // and keep only directions with non-zero structural mass → D
522        // (raw-block selector).
523        // Only the structural residual is consumed downstream; the
524        // structural-metric correction M^S is intentionally discarded —
525        // predict-time subtraction uses the curvature metric correction
526        // (`M^H_inner` below), not the structural one.
527        let (residual_s, _) = residualise_in_metric(&anchor_s, w_s)?;
528        let g_s = fast_atb(&residual_s, &residual_s);
529        // Scale reference for the kept-eigenspace tolerance: the *original*
530        // (pre-residualisation) structural block Gram trace. A fully-absorbed
531        // block's residual collapses to ~ε² noise; anchoring tau to that would
532        // keep the noise directions and wrongly treat the block as
533        // structurally independent. The original-block trace is invariant to
534        // absorption, so a near-zero residual is rejected as fully absorbed.
535        let g_s_bb = fast_atb(w_s, w_s);
536        let g_s_trace: f64 = (0..p_b).map(|i| g_s_bb[[i, i]].max(0.0)).sum();
537        // A protected block keeps every raw column: the structural residual
538        // eigenfilter is replaced by identity so no within-block direction is
539        // dropped. It still anchors later blocks at full raw width.
540        let d = if block_protected {
541            Array2::<f64>::eye(p_b)
542        } else {
543            keep_positive_eigenspace(&g_s, n, k, g_s_trace)?
544        };
545        if d.ncols() == 0 {
546            if anchor_h.ncols() == 0 {
547                return Err(CompilerError::FullyAliased {
548                    block_idx: idx,
549                    reason: format!(
550                        "structural residual Gram has no positive eigenspace (block of width {p_b} has zero structural span before any anchor exists)"
551                    ),
552                });
553            }
554            compiled.push(CompiledBlock {
555                t_lw: Array2::<f64>::zeros((p_b, 0)),
556                anchor_correction: Some(Array2::<f64>::zeros((raw_anchor_h.ncols(), 0))),
557                r_lw: Some(Array2::<f64>::zeros((raw_anchor_h.ncols(), 0))),
558            });
559            // The structural pass fully absorbed all `p_b` raw columns into the
560            // higher-priority anchor: record each as a drop so the per-block
561            // width accounting (kept + dropped == raw width) stays exact.
562            for c in 0..p_b {
563                walk_demotions.push((idx, c));
564            }
565            raw_anchor_h = concat_cols(&raw_anchor_h, w_h);
566            continue;
567        }
568
569        // Pass 2 (curvature): form W^H_b · D and residualise against the
570        // cumulative curvature anchor. Eigendecompose the curvature
571        // residual Gram and drop curvature-zero directions inside D →
572        // T_inner. A direction kept by the structural pass but degenerate
573        // here is genuinely curvature-redundant *within* the
574        // structurally-kept basis, so dropping it is correct.
575        let w_h_d = fast_ab(w_h, &d);
576        let (residual_h, m_h_inner_opt) = residualise_in_metric(&anchor_h, &w_h_d)?;
577        let g_h = fast_atb(&residual_h, &residual_h);
578        let p_d = d.ncols();
579        // Scale reference: the *unresidualised* curvature block Gram trace of
580        // `W^H_b · D` (the same convention the closed-form `compile_from_raw_grams`
581        // path uses with `d_t_kh_d`). Anchoring to the residual trace would
582        // collapse to ~ε² when the block is fully curvature-absorbed and keep
583        // its noise directions.
584        let g_h_dd = fast_atb(&w_h_d, &w_h_d);
585        let g_h_trace: f64 = (0..p_d).map(|i| g_h_dd[[i, i]].max(0.0)).sum();
586        // Protected block: retain every structurally-kept direction (identity
587        // curvature span) instead of dropping curvature-degenerate ones; its own
588        // penalty nullspace regularises the conditioning downstream.
589        let t_inner = if block_protected {
590            Array2::<f64>::eye(p_d)
591        } else {
592            keep_positive_eigenspace(&g_h, n, k, g_h_trace)?
593        };
594        if t_inner.ncols() == 0 {
595            if anchor_h.ncols() == 0 {
596                return Err(CompilerError::FullyAliased {
597                    block_idx: idx,
598                    reason: format!(
599                        "curvature residual Gram has no positive eigenspace within structurally-kept basis (block of width {p_b}, structural-kept {p_d}) before any anchor exists"
600                    ),
601                });
602            }
603            compiled.push(CompiledBlock {
604                t_lw: Array2::<f64>::zeros((p_b, 0)),
605                anchor_correction: Some(Array2::<f64>::zeros((raw_anchor_h.ncols(), 0))),
606                r_lw: Some(Array2::<f64>::zeros((raw_anchor_h.ncols(), 0))),
607            });
608            // The structural pass kept `p_d` directions, but the curvature pass
609            // absorbed all of them into the higher-priority anchor. Record each
610            // structurally-kept-but-curvature-demoted direction as a drop so the
611            // pre-audit structural width is fully accounted for.
612            for c in 0..p_d {
613                walk_demotions.push((idx, c));
614            }
615            raw_anchor_h = concat_cols(&raw_anchor_h, w_h);
616            continue;
617        }
618
619        // Compose V = D · T_inner (raw-block → kept).
620        let v = fast_ab(&d, &t_inner);
621
622        // `m_h_inner_opt` was residualised against `anchor_h` as it stands
623        // *here*, i.e. the cumulative kept-direction anchor of all PRIOR
624        // blocks. Snapshot that pre-append anchor and its raw counterpart
625        // before this block's residual columns are appended below; the
626        // change-of-basis for this block's correction must be expressed
627        // against the prior-block anchor that `m` is indexed against, not the
628        // post-append anchor that already carries this block's own columns.
629        let prior_anchor_h = anchor_h.clone();
630        let prior_raw_anchor_h = raw_anchor_h.clone();
631
632        // Append residual-V columns to both cumulative anchors so future
633        // blocks see the structurally-orthogonal and curvature-orthogonal
634        // residual designs of this block, never the raw scaled block.
635        let residual_h_t = fast_ab(&residual_h, &t_inner);
636        anchor_h = concat_cols(&anchor_h, &residual_h_t);
637        // The structural anchor needs the structural-residual restricted
638        // to the kept directions: residual_s · v gives (W^S_b − A^S · M^S)·V.
639        let residual_s_v = fast_ab(&residual_s, &v);
640        anchor_s = concat_cols(&anchor_s, &residual_s_v);
641
642        // Compiled anchor correction lives in the curvature metric — the
643        // predict-time row contribution is `(C(x) · V − A(x) · M)·β`, where
644        // the subtraction makes residuals H-orthogonal at training and `A(x)`
645        // is the *raw* anchor evaluation (one column per raw anchor column).
646        //
647        // `m_h_inner_opt · t_inner` (call it `M_kept`) lives in the
648        // *kept-direction* anchor coordinates of the PRIOR-block anchor
649        // `prior_anchor_h` (the value `anchor_h` held when `m` was produced at
650        // `residualise_in_metric` above, before this block's residual columns
651        // were appended). Its row count is `prior_anchor_h.ncols()`, which
652        // equals the prior-block raw anchor width only when no upstream block
653        // shed an aliased column. The predict path multiplies by the raw
654        // anchor matrix `A_raw` (one column per raw anchor column of the prior
655        // blocks), so we must re-express `M_kept` in raw-anchor-column
656        // coordinates.
657        //
658        // `prior_anchor_h` and `prior_raw_anchor_h` span the same column space
659        // in the curvature metric (the residualisation/rotation only drops
660        // directions that lie inside that span), so there is an exact `Z` with
661        // `prior_raw_anchor_h · Z = prior_anchor_h`. Then
662        //   `prior_anchor_h · M_kept = prior_raw_anchor_h · (Z · M_kept)`,
663        // and the raw-coordinate correction is `M_raw = Z · M_kept`, with row
664        // count `prior_raw_anchor_h.ncols()` = the sum of prior raw anchor
665        // block widths. `Z = (Aᵀ A)⁺ Aᵀ prior_anchor_h` (with
666        // `A = prior_raw_anchor_h`) is the metric-exact least-squares change of
667        // basis (`solve_psd_system`).
668        let m_compiled = match m_h_inner_opt.as_ref() {
669            Some(m) => {
670                let m_kept = fast_ab(m, &t_inner);
671                if m_kept.nrows() != prior_anchor_h.ncols() {
672                    return Err(CompilerError::DimensionMismatch(format!(
673                        "anchor correction must be indexed by prior-block kept anchor directions: \
674                         m_kept has {} rows but prior_anchor_h has {} columns",
675                        m_kept.nrows(),
676                        prior_anchor_h.ncols()
677                    )));
678                }
679                let g_raw = fast_atb(&prior_raw_anchor_h, &prior_raw_anchor_h);
680                let z_rhs = fast_atb(&prior_raw_anchor_h, &prior_anchor_h);
681                let z = solve_psd_system(&g_raw, &z_rhs)?;
682                Some(fast_ab(&z, &m_kept))
683            }
684            None => None,
685        };
686        compiled.push(CompiledBlock {
687            t_lw: v,
688            anchor_correction: m_compiled.clone(),
689            r_lw: m_compiled,
690        });
691
692        // Append this block's raw curvature-scaled columns to the raw anchor
693        // accumulator so the *next* block's `M_raw` is expressed against the
694        // full raw column set of all blocks walked so far.
695        raw_anchor_h = concat_cols(&raw_anchor_h, w_h);
696    }
697
698    // Joint-design audit on the curvature-scaled cumulative anchor: the
699    // identifiability question the fit cares about is curvature-rank.
700    let audit_dropped = audit_and_drop_trailing_pivots(&anchor_h, &mut compiled)?;
701    // Combine in-walk demotions (structural / curvature full absorption of a
702    // block) with the joint-audit trailing-pivot drops so `dropped` accounts
703    // for *every* column the compiler removed, not just the joint-audit ones.
704    let mut dropped = walk_demotions;
705    dropped.extend(audit_dropped);
706    let joint_rank: usize = compiled.iter().map(|b| b.t_lw.ncols()).sum();
707
708    Ok(CompiledBlocks {
709        blocks: compiled,
710        joint_rank,
711        dropped,
712    })
713}
714
715/// Build `W_b = stack_i sqrt(H_i) · J_b,i` flattened to `(n*K, ncols)` from a
716/// materialised `(n, p, K)` tensor. Thin wrapper over
717/// [`scale_jacobian_by_sqrt_h_with`] that reads the tensor element-wise.
718fn scale_block_by_sqrt_h(jb: &Array3<f64>, h_full: &Array3<f64>) -> Array2<f64> {
719    let n = jb.shape()[0];
720    let p = jb.shape()[1];
721    let k = jb.shape()[2];
722    scale_jacobian_by_sqrt_h_with(n, p, k, h_full, |i, a, c| jb[[i, a, c]])
723}
724
725/// Build `W_b = stack_i sqrt(H_i) · J_b,i` flattened to `(n*K, ncols)` without
726/// ever requiring a materialised `(n, p, K)` tensor.
727///
728/// The Jacobian entries are pulled through the `jac` closure
729/// (`jac(i, a, c) = J_b,i[a, c]`), so a structured operator that stores its
730/// Jacobian in a compact / streaming form can supply the sqrt(H)-scaled design
731/// directly — the representation the compiler actually consumes — rather than
732/// being forced to clone a dense `(n, p, K)` tensor first. (#738: a capability
733/// is not a representation — the compiler asks for the scaled `(n·K, p)` design
734/// it needs, not the dense per-row tensor.)
735///
736/// `K` is tiny (1 or 4), so the per-row symmetric sqrt is negligible relative
737/// to the overall compile.
738pub fn scale_jacobian_by_sqrt_h_with(
739    n: usize,
740    p: usize,
741    k: usize,
742    h_full: &Array3<f64>,
743    jac: impl Fn(usize, usize, usize) -> f64,
744) -> Array2<f64> {
745    assert_eq!(h_full.shape(), &[n, k, k]);
746    let mut out = Array2::<f64>::zeros((n * k, p));
747    let mut sqrt_h = Array2::<f64>::zeros((k, k));
748    let mut scratch_jrow = Array2::<f64>::zeros((p, k));
749    for i in 0..n {
750        // Symmetric square root of H_i via eigendecomposition.
751        let h_i = h_full.index_axis(Axis(0), i).to_owned();
752        sqrt_h.fill(0.0);
753        symmetric_sqrt_into(&h_i, &mut sqrt_h);
754        // scratch_jrow[a, c] = J_b,i[a, c] (transpose-friendly layout for
755        // the GEMV below: we want (p × k) · (k,) = (p,) for each column of
756        // sqrt_h, but we batch by writing out[(i*k+c), a] = (sqrt_h · J_b,iᵀ)[c, a].
757        for a in 0..p {
758            for c in 0..k {
759                scratch_jrow[[a, c]] = jac(i, a, c);
760            }
761        }
762        for c in 0..k {
763            for a in 0..p {
764                let mut acc = 0.0;
765                for cp in 0..k {
766                    acc += sqrt_h[[c, cp]] * scratch_jrow[[a, cp]];
767                }
768                out[[i * k + c, a]] = acc;
769            }
770        }
771    }
772    out
773}
774
775/// Symmetric matrix square root via eigendecomposition with negative
776/// eigenvalues clamped to zero (PSD projection guard).
777pub(crate) fn symmetric_sqrt_into(m: &Array2<f64>, out: &mut Array2<f64>) {
778    let k = m.nrows();
779    assert_eq!(m.ncols(), k);
780    assert_eq!(out.shape(), &[k, k]);
781    if k == 1 {
782        out[[0, 0]] = m[[0, 0]].max(0.0).sqrt();
783        return;
784    }
785    let (evals, evecs) = match m.eigh(Side::Lower) {
786        Ok(pair) => pair,
787        Err(_) => {
788            // Fall back to clipped diagonal — extremely defensive for the
789            // K=4 row Hessian which is already PSD-clamped by the caller.
790            out.fill(0.0);
791            for i in 0..k {
792                out[[i, i]] = m[[i, i]].max(0.0).sqrt();
793            }
794            return;
795        }
796    };
797    // out = U · diag(sqrt(max(0, λ))) · Uᵀ
798    let mut scaled = evecs.clone();
799    for j in 0..k {
800        let s = evals[j].max(0.0).sqrt();
801        for i in 0..k {
802            scaled[[i, j]] *= s;
803        }
804    }
805    out.assign(&fast_atb(&evecs.t().to_owned(), &scaled.t().to_owned()));
806    // The above fast_atb computed (Uᵀ)ᵀ · (Uᵀ·diag(s)) = U · diag(s) · Uᵀ
807    // when the inputs are owned. To be safe and avoid layout surprises,
808    // re-do the small multiplication explicitly for K ≤ 4.
809    out.fill(0.0);
810    for i in 0..k {
811        for j in 0..k {
812            let mut acc = 0.0;
813            for l in 0..k {
814                acc += evecs[[i, l]] * evals[l].max(0.0).sqrt() * evecs[[j, l]];
815            }
816            out[[i, j]] = acc;
817        }
818    }
819}
820
821/// Solve `Aᵀ A · M = Aᵀ B` and return `(B − A·M, Some(M))`. With `A`
822/// having zero columns, returns `(B, None)` — the first block needs no
823/// anchor correction.
824fn residualise_in_metric(
825    a_scaled: &Array2<f64>,
826    b_scaled: &Array2<f64>,
827) -> Result<(Array2<f64>, Option<Array2<f64>>), CompilerError> {
828    let d = a_scaled.ncols();
829    if d == 0 {
830        return Ok((b_scaled.clone(), None));
831    }
832    let g_aa = fast_atb(a_scaled, a_scaled);
833    let g_ab = fast_atb(a_scaled, b_scaled);
834    let m = solve_psd_system(&g_aa, &g_ab)?;
835    let a_m = fast_ab(a_scaled, &m);
836    let residual = b_scaled - &a_m;
837    Ok((residual, Some(m)))
838}
839
840/// Solve a PSD linear system `G · M = R` for `M`. Tries the eigen-based
841/// pseudoinverse with a relative threshold and falls back to a damped
842/// solve if the spectrum is ill-conditioned beyond what the threshold
843/// can clean.
844fn solve_psd_system(g: &Array2<f64>, r: &Array2<f64>) -> Result<Array2<f64>, CompilerError> {
845    let n = g.nrows();
846    if n == 0 {
847        return Ok(Array2::zeros((0, r.ncols())));
848    }
849    let (evals, evecs) = g
850        .eigh(Side::Lower)
851        .map_err(|err| CompilerError::LinalgFailure(format!("Gram eigh failed: {err:?}")))?;
852    let lambda_max = evals.iter().cloned().fold(0.0_f64, f64::max).max(0.0);
853    let tol = lambda_max * RANK_REVEAL_EPS_SLACK * (n.max(1) as f64) * f64::EPSILON;
854    // M = U · diag(1/λ_kept) · Uᵀ · R
855    let u_t_r = fast_atb(&evecs, r);
856    let mut scaled = u_t_r.clone();
857    for i in 0..n {
858        let lam = evals[i];
859        let inv = if lam > tol { 1.0 / lam } else { 0.0 };
860        for j in 0..scaled.ncols() {
861            scaled[[i, j]] *= inv;
862        }
863    }
864    let m = fast_ab(&evecs, &scaled);
865    Ok(m)
866}
867
868/// Eigendecompose the residual Gram `G̃` and return `V` made of the
869/// eigenvectors whose eigenvalues exceed
870/// `τ = max(λ_max(G̃), tr(G_BB)) · RANK_REVEAL_EPS_SLACK · n · K · ε`.
871fn keep_positive_eigenspace(
872    g_tilde: &Array2<f64>,
873    n: usize,
874    k: usize,
875    g_bb_trace: f64,
876) -> Result<Array2<f64>, CompilerError> {
877    let p = g_tilde.nrows();
878    if p == 0 {
879        return Ok(Array2::zeros((0, 0)));
880    }
881    // A block whose UNRESIDUALISED diagonal trace is zero owns no positive
882    // eigenspace (an all-zero residual Gram): rank 0.
883    if g_bb_trace <= 0.0 {
884        return Ok(Array2::zeros((p, 0)));
885    }
886    let (evals, evecs) = g_tilde.eigh(Side::Lower).map_err(|err| {
887        CompilerError::LinalgFailure(format!("residual Gram eigh failed: {err:?}"))
888    })?;
889
890    // WEIGHT-INVARIANT RANK COUNT. The rank tolerance is relative to the dominant
891    // eigenvalue, so a single stiff residual direction inflates it until
892    // well-conditioned independent directions are dropped. The marginal-slope
893    // effective Jacobian carries the per-row chain weight c_i = sqrt(1+(s·g_i)²);
894    // it produced a residual Gram spectrum σ² of [7.5e15, 1.3e3, …, 2.3e-3] — one
895    // stiff direction and eleven absolutely well-conditioned ones — and the
896    // lambda_max-relative cutoff dropped all eleven, reporting range_rank 1/12 on
897    // a fully identified time surface. Identifiability is invariant to a positive
898    // per-column scaling (a diagonal congruence D^{-1/2}·G·D^{-1/2} preserves rank
899    // and inertia), so take the rank COUNT from the diagonally-equilibrated
900    // residual Gram, whose cutoff sees true residual correlation rather than
901    // scale. Return the RAW eigenvectors (top-`rank` by descending raw
902    // eigenvalue), so blocks already ranked correctly are byte-identical — only
903    // stiff-direction-mislabeled blocks gain their true rank.
904    let rank = {
905        // Diagonally equilibrate into the column-scale gauge (Sylvester's law of
906        // inertia: the congruence preserves rank), then take the count from the
907        // equilibrated spectrum. See `gam_linalg::decision::equilibrate_gram`.
908        let (g_eq, _) = equilibrate_gram(g_tilde);
909        let (evals_eq, _) = g_eq.eigh(Side::Lower).map_err(|err| {
910            CompilerError::LinalgFailure(format!("equilibrated residual Gram eigh failed: {err:?}"))
911        })?;
912        let lambda_max_eq = evals_eq.iter().cloned().fold(0.0_f64, f64::max).max(0.0);
913        let nk = (n.saturating_mul(k)).max(p).max(1) as f64;
914        let tau_eq = lambda_max_eq * RANK_REVEAL_EPS_SLACK * nk * f64::EPSILON;
915        // Threshold count the pipeline has always acted on: the decision we must
916        // preserve exactly.
917        let threshold_count = evals_eq.iter().filter(|&&e| e > tau_eq).count();
918        // Two-stage rollout (#2337 §9-step-6). STAGE 1 — OBSERVE ONLY: classify
919        // the same decision against a two-sided guard band. When the band is
920        // clean the certified rank equals `threshold_count` by construction (no
921        // eigenvalue lies in `(τ/(1+gap), τ·(1+gap))`, so `#{e ≥ high}` =
922        // `#{e > τ}`). When a value sits inside the band the decision is
923        // host-unstable; we do NOT refuse here — we log the payload so we can
924        // measure Ambiguous frequency before enforcing a refusal path in stage 2
925        // — and fall back to the preserved threshold count.
926        match certified_rank(evals_eq.as_slice().unwrap_or(&[]), tau_eq, RANK_DECISION_GAP) {
927            RankDecision::Certified { rank, .. } => rank,
928            RankDecision::Ambiguous {
929                rank_floor,
930                rank_ceil,
931                sigma_in_band,
932                tol,
933                gap,
934            } => {
935                log::warn!(
936                    "keep_positive_eigenspace: ambiguous equilibrated rank (observe-only, \
937                     #2337 stage 1): rank_floor={rank_floor}, rank_ceil={rank_ceil}, \
938                     sigma_in_band={sigma_in_band:.3e}, tol={tol:.3e}, gap={gap}, \
939                     falling back to threshold_count={threshold_count}"
940                );
941                threshold_count
942            }
943        }
944    };
945
946    // Top-`rank` RAW eigenvectors by descending raw eigenvalue (stable order).
947    let mut kept: Vec<usize> = (0..p).collect();
948    kept.sort_by(|&a, &b| {
949        evals[b]
950            .partial_cmp(&evals[a])
951            .unwrap_or(std::cmp::Ordering::Equal)
952    });
953    kept.truncate(rank);
954    let mut v = Array2::<f64>::zeros((p, kept.len()));
955    for (out_col, &src_col) in kept.iter().enumerate() {
956        for row in 0..p {
957            v[[row, out_col]] = evecs[[row, src_col]];
958        }
959    }
960    Ok(v)
961}
962
963/// Concatenate two matrices column-wise. Both must have the same row count.
964fn concat_cols(left: &Array2<f64>, right: &Array2<f64>) -> Array2<f64> {
965    let nrows = left.nrows().max(right.nrows());
966    let lc = left.ncols();
967    let rc = right.ncols();
968    let mut out = Array2::<f64>::zeros((nrows, lc + rc));
969    if lc > 0 {
970        out.slice_mut(s![.., ..lc]).assign(left);
971    }
972    if rc > 0 {
973        out.slice_mut(s![.., lc..]).assign(right);
974    }
975    out
976}
977
978/// Post-walk audit: column-pivoted QR on the cumulative scaled design.
979/// If rank < p_total, deterministically drop trailing pivots from the
980/// latest block's `V`. Earlier blocks are never modified.
981fn audit_and_drop_trailing_pivots(
982    w_joint: &Array2<f64>,
983    compiled: &mut [CompiledBlock],
984) -> Result<Vec<(usize, usize)>, CompilerError> {
985    let p_total: usize = compiled.iter().map(|b| b.t_lw.ncols()).sum();
986    if p_total == 0 || w_joint.nrows() == 0 {
987        return Ok(Vec::new());
988    }
989
990    // RRQR rank with the codebase's default α.
991    let rrqr = rrqr_with_permutation(w_joint, default_rrqr_rank_alpha())
992        .map_err(|err| CompilerError::LinalgFailure(format!("audit RRQR failed: {err:?}")))?;
993    let rank = rrqr.rank;
994    if rank >= p_total {
995        return Ok(Vec::new());
996    }
997
998    // Trailing pivots are the redundant columns. Attribute every demoted
999    // global column to the *latest* block by truncating its V; earlier
1000    // blocks keep their full V. The demoted suffix is sorted only by
1001    // pivot order, but we drop deterministically: take the count of
1002    // demoted columns and truncate that many trailing columns of the
1003    // latest block.
1004    let drop_count = p_total - rank;
1005    let latest_idx = compiled.len() - 1;
1006    let latest = &mut compiled[latest_idx];
1007    let kept_local = latest.t_lw.ncols().saturating_sub(drop_count);
1008    let dropped_locals: Vec<(usize, usize)> = (kept_local..latest.t_lw.ncols())
1009        .map(|c| (latest_idx, c))
1010        .collect();
1011    // Truncate ALL kept-direction-indexed matrices in lockstep so the
1012    // shape contract (`anchor_correction: d_total × k_kept`, `r_lw:
1013    // d_total × k_kept`, `t_lw: p_raw × k_kept`) holds after the audit
1014    // drops trailing pivots. Forgetting these two left
1015    // `anchor_correction.ncols() == pre_truncation_k_kept` while
1016    // `t_lw.ncols() == post_truncation_k_kept`, surfaced downstream as
1017    // `cross-block identifiability: anchor_correction shape D×P does
1018    // not match expected d_total=D × k_kept=K`.
1019    latest.t_lw = latest.t_lw.slice(s![.., ..kept_local]).to_owned();
1020    if let Some(m) = latest.anchor_correction.as_ref() {
1021        latest.anchor_correction = Some(m.slice(s![.., ..kept_local]).to_owned());
1022    }
1023    if let Some(r) = latest.r_lw.as_ref() {
1024        latest.r_lw = Some(r.slice(s![.., ..kept_local]).to_owned());
1025    }
1026    Ok(dropped_locals)
1027}
1028
1029/// Channel-pair decomposition of every parameter block's row Jacobian.
1030///
1031/// For families with `K` primary-state channels (survival: K=4), each block
1032/// `b` contributes a (n × p_b) channel matrix `X_b^(c)` per channel `c` that
1033/// it touches. Blocks that do not contribute to a channel store `None` in
1034/// that slot. The closed-form Gram compiler consumes this view directly to
1035/// build the joint Gram `K^H` without ever materialising the full
1036/// `(n·K) × p_total` weighted design `W = sqrt(H) · J`.
1037pub struct PrimaryChannelBlocks {
1038    /// Outer index: block. Inner index: channel `c ∈ 0..K`. `None` means the
1039    /// block does not contribute to that channel.
1040    pub blocks: Vec<Vec<Option<Array2<f64>>>>,
1041}
1042
1043/// Closed-form Gram builder: `K^H[a, b] = Σ_{c,d} (X_a^(c))ᵀ · diag(h_{cd}) · X_b^(d)`.
1044///
1045/// Inputs:
1046/// - `channel_blocks`: per-block channel decomposition of the row Jacobian.
1047/// - `row_hess`: `(n × K × K)` per-row PSD Hessian (typically clamped to PSD
1048///   by the family upstream).
1049/// - `raw_block_ranges`: `[start, end)` column ranges of each block inside
1050///   the full `p_total`-wide coefficient vector. Must be contiguous and
1051///   non-overlapping; their union spans `0..p_total`.
1052///
1053/// Returns the symmetric `(p_total × p_total)` Gram matrix.
1054pub fn build_raw_grams_from_channel_blocks(
1055    channel_blocks: &PrimaryChannelBlocks,
1056    row_hess: &dyn RowHessian,
1057    raw_block_ranges: &[std::ops::Range<usize>],
1058) -> Result<Array2<f64>, CompilerError> {
1059    let num_blocks = channel_blocks.blocks.len();
1060    if num_blocks != raw_block_ranges.len() {
1061        return Err(CompilerError::DimensionMismatch(format!(
1062            "channel_blocks ({num_blocks}) and raw_block_ranges ({}) length mismatch",
1063            raw_block_ranges.len()
1064        )));
1065    }
1066    if num_blocks == 0 {
1067        return Ok(Array2::<f64>::zeros((0, 0)));
1068    }
1069    let k = row_hess.k();
1070    let n = row_hess.nrows();
1071    let p_total: usize = raw_block_ranges.iter().map(|r| r.end - r.start).sum();
1072    let expected_total = raw_block_ranges.last().map(|r| r.end).unwrap_or(0);
1073    if expected_total != p_total {
1074        return Err(CompilerError::DimensionMismatch(format!(
1075            "raw_block_ranges must be contiguous from 0; got p_total={p_total} but last end={expected_total}"
1076        )));
1077    }
1078    // Per-block channel-slot shape sanity.
1079    for (b, slots) in channel_blocks.blocks.iter().enumerate() {
1080        if slots.len() != k {
1081            return Err(CompilerError::DimensionMismatch(format!(
1082                "block {b}: expected {k} channel slots, got {}",
1083                slots.len()
1084            )));
1085        }
1086        let p_b = raw_block_ranges[b].end - raw_block_ranges[b].start;
1087        for (c, mat) in slots.iter().enumerate() {
1088            if let Some(x) = mat.as_ref() {
1089                if x.nrows() != n {
1090                    return Err(CompilerError::DimensionMismatch(format!(
1091                        "block {b} channel {c}: nrows={} but row Hessian nrows={n}",
1092                        x.nrows()
1093                    )));
1094                }
1095                if x.ncols() != p_b {
1096                    return Err(CompilerError::DimensionMismatch(format!(
1097                        "block {b} channel {c}: ncols={} but block width={p_b}",
1098                        x.ncols()
1099                    )));
1100                }
1101            }
1102        }
1103    }
1104
1105    // Materialise H once and slice it into K·K length-n vectors h_{cd}.
1106    let h_full = row_hess.evaluate_full();
1107    if h_full.shape() != &[n, k, k] {
1108        return Err(CompilerError::DimensionMismatch(format!(
1109            "row Hessian evaluate_full shape {:?} != [n={n}, k={k}, k={k}]",
1110            h_full.shape()
1111        )));
1112    }
1113    // h_pairs[c * k + d] = length-n vector of H_i[c, d].
1114    let mut h_pairs: Vec<Array1<f64>> = Vec::with_capacity(k * k);
1115    for c in 0..k {
1116        for d in 0..k {
1117            let mut v = Array1::<f64>::zeros(n);
1118            for i in 0..n {
1119                v[i] = h_full[[i, c, d]];
1120            }
1121            h_pairs.push(v);
1122        }
1123    }
1124
1125    let mut gram = Array2::<f64>::zeros((p_total, p_total));
1126    // Accumulate upper triangle (a ≤ b) then symmetrise.
1127    for a in 0..num_blocks {
1128        let range_a = raw_block_ranges[a].clone();
1129        for b in a..num_blocks {
1130            let range_b = raw_block_ranges[b].clone();
1131            let mut block_acc =
1132                Array2::<f64>::zeros((range_a.end - range_a.start, range_b.end - range_b.start));
1133            for c in 0..k {
1134                let Some(x_a_c) = channel_blocks.blocks[a][c].as_ref() else {
1135                    continue;
1136                };
1137                for d in 0..k {
1138                    let Some(x_b_d) = channel_blocks.blocks[b][d].as_ref() else {
1139                        continue;
1140                    };
1141                    let h_cd = &h_pairs[c * k + d];
1142                    // (X_a^(c))ᵀ · diag(h_cd) · X_b^(d)  →  (p_a × p_b).
1143                    let contrib = fast_xt_diag_y(x_a_c, h_cd, x_b_d);
1144                    block_acc += &contrib;
1145                }
1146            }
1147            // Write into upper triangle (and the diagonal block itself).
1148            gram.slice_mut(s![range_a.start..range_a.end, range_b.start..range_b.end])
1149                .assign(&block_acc);
1150        }
1151    }
1152    // Symmetrise: copy upper triangle to lower. Diagonal blocks are
1153    // themselves p_a × p_a — symmetrise within them too.
1154    for i in 0..p_total {
1155        for j in 0..i {
1156            let v = gram[[j, i]];
1157            gram[[i, j]] = v;
1158        }
1159    }
1160    Ok(gram)
1161}
1162
1163/// Structural Gram `K^S`: same shape as [`build_raw_grams_from_channel_blocks`]
1164/// but with the per-row Hessian replaced by the K×K identity. Used by the
1165/// dual-metric compiler as the un-weighted reference geometry.
1166///
1167/// `K^S[a, b] = Σ_c (X_a^(c))ᵀ · X_b^(c)` (cross-channel terms vanish under
1168/// `H_i = I_K`).
1169pub fn build_raw_grams_structural(
1170    channel_blocks: &PrimaryChannelBlocks,
1171    raw_block_ranges: &[std::ops::Range<usize>],
1172) -> Array2<f64> {
1173    let num_blocks = channel_blocks.blocks.len();
1174    assert_eq!(
1175        num_blocks,
1176        raw_block_ranges.len(),
1177        "channel_blocks ({num_blocks}) and raw_block_ranges ({}) length mismatch",
1178        raw_block_ranges.len()
1179    );
1180    if num_blocks == 0 {
1181        return Array2::<f64>::zeros((0, 0));
1182    }
1183    let p_total = raw_block_ranges.last().map(|r| r.end).unwrap_or(0);
1184    let mut gram = Array2::<f64>::zeros((p_total, p_total));
1185    for a in 0..num_blocks {
1186        let range_a = raw_block_ranges[a].clone();
1187        for b in a..num_blocks {
1188            let range_b = raw_block_ranges[b].clone();
1189            let p_a = range_a.end - range_a.start;
1190            let p_b = range_b.end - range_b.start;
1191            let k_a = channel_blocks.blocks[a].len();
1192            let k_b = channel_blocks.blocks[b].len();
1193            assert_eq!(
1194                k_a, k_b,
1195                "structural Gram: block {a} has {k_a} channels but block {b} has {k_b}",
1196            );
1197            let mut block_acc = Array2::<f64>::zeros((p_a, p_b));
1198            for c in 0..k_a {
1199                let (Some(x_a_c), Some(x_b_c)) = (
1200                    channel_blocks.blocks[a][c].as_ref(),
1201                    channel_blocks.blocks[b][c].as_ref(),
1202                ) else {
1203                    continue;
1204                };
1205                let contrib = if a == b {
1206                    // Diagonal block, same channel — symmetric XᵀX.
1207                    fast_ata(x_a_c)
1208                } else {
1209                    fast_atb(x_a_c, x_b_c)
1210                };
1211                block_acc += &contrib;
1212            }
1213            gram.slice_mut(s![range_a.start..range_a.end, range_b.start..range_b.end])
1214                .assign(&block_acc);
1215        }
1216    }
1217    for i in 0..p_total {
1218        for j in 0..i {
1219            let v = gram[[j, i]];
1220            gram[[i, j]] = v;
1221        }
1222    }
1223    gram
1224}
1225
1226/// Build the primary-state curvature Gram `K^H` and structural Gram `K^S`
1227/// for a block decomposition, preferring the device (GPU) path when
1228/// available and falling back to the CPU closed-form builders otherwise.
1229///
1230/// The GPU path is only attempted for survival-family geometry
1231/// (`K = CHANNELS = 4`) — that is the case the GPU kernel
1232/// ([`crate::families::gpu::try_primary_state_gram_cuda`])
1233/// is specialised for via the packed-symmetric `n × 10` weight layout.
1234/// For any other `K` the CPU builders are used unconditionally.
1235///
1236/// Returns `(gram_h, gram_struct)` with the same shape and semantics as
1237/// [`build_raw_grams_from_channel_blocks`] + [`build_raw_grams_structural`].
1238pub fn build_primary_grams_gpu_or_cpu(
1239    channel_blocks: &PrimaryChannelBlocks,
1240    row_hess: &dyn RowHessian,
1241    raw_block_ranges: &[std::ops::Range<usize>],
1242) -> Result<(Array2<f64>, Array2<f64>), CompilerError> {
1243    let k = row_hess.k();
1244    if k == crate::families::gpu::CHANNELS {
1245        let gpu_blocks: Vec<Vec<Option<Array2<f64>>>> = channel_blocks
1246            .blocks
1247            .iter()
1248            .map(|slots| slots.iter().cloned().collect())
1249            .collect();
1250        if let Some(h_packed) = pack_row_hessian_symmetric(row_hess) {
1251            if let Some(bundle) = crate::families::gpu::try_primary_state_gram_cuda(
1252                &gpu_blocks,
1253                &h_packed,
1254                raw_block_ranges,
1255            )
1256            .map_err(|error| CompilerError::GpuFailure(error.to_string()))?
1257            {
1258                log::info!("[identifiability_compile] gram path = gpu");
1259                return Ok((bundle.gram_h, bundle.gram_struct));
1260            }
1261        }
1262    }
1263    log::info!("[identifiability_compile] gram path = cpu");
1264    let gram_h = build_raw_grams_from_channel_blocks(channel_blocks, row_hess, raw_block_ranges)?;
1265    let gram_struct = build_raw_grams_structural(channel_blocks, raw_block_ranges);
1266    Ok((gram_h, gram_struct))
1267}
1268
1269/// Pack a per-row symmetric `K = 4` Hessian into the `n × 10`
1270/// upper-triangular row-major layout consumed by the GPU kernel
1271/// (`packed_index(c, d)` for `c ≤ d`). Returns `None` when `K != 4`.
1272fn pack_row_hessian_symmetric(row_hess: &dyn RowHessian) -> Option<Array2<f64>> {
1273    use crate::families::gpu::{CHANNELS, PACKED_LEN, packed_index};
1274    if row_hess.k() != CHANNELS {
1275        return None;
1276    }
1277    let n = row_hess.nrows();
1278    let h_full = row_hess.evaluate_full();
1279    if h_full.shape() != [n, CHANNELS, CHANNELS] {
1280        return None;
1281    }
1282    let mut packed = Array2::<f64>::zeros((n, PACKED_LEN));
1283    for i in 0..n {
1284        for c in 0..CHANNELS {
1285            for d in c..CHANNELS {
1286                packed[[i, packed_index(c, d)]] = h_full[[i, c, d]];
1287            }
1288        }
1289    }
1290    Some(packed)
1291}
1292
1293/// Closed-form Gram-based compile output: a single `p_raw × p_compiled`
1294/// reparam matrix `T` mapping compiled coordinates back to raw width.
1295/// `T · θ` lifts a fitted compiled-width β back to raw width; predict-time
1296/// row contribution is `X_raw · T · θ` where `X_raw` is the full raw design.
1297///
1298/// `compiled_block_ranges[b]` gives the column range inside `T` (and inside
1299/// the compiled-width coefficient vector) attributable to raw block `b`.
1300/// `raw_block_ranges[b]` gives the corresponding raw-width column range.
1301#[derive(Debug)]
1302pub struct CompiledMap {
1303    /// `(p_raw × p_compiled)` raw-from-compiled reparam matrix.
1304    pub raw_from_compiled: Array2<f64>,
1305    /// Per-block compiled-width column ranges, parallel to
1306    /// `raw_block_ranges`. Same length as the input `ordering`.
1307    pub compiled_block_ranges: Vec<std::ops::Range<usize>>,
1308    /// Per-block raw-width column ranges (copied through from input).
1309    pub raw_block_ranges: Vec<std::ops::Range<usize>>,
1310}
1311
1312/// Neutral view of this compiled reparametrisation for the gauge layer
1313/// (#1521): `Gauge::from_compiled_map` lives DOWN in `gam-problem` and
1314/// names only the `CompiledBlockMap` trait, never the concrete
1315/// `CompiledMap` (which lives ABOVE `gam-problem`). This `impl` supplies
1316/// the inverted dependency edge.
1317impl gam_problem::gauge::CompiledBlockMap for CompiledMap {
1318    fn raw_from_compiled(&self) -> &Array2<f64> {
1319        &self.raw_from_compiled
1320    }
1321    fn raw_block_ranges(&self) -> &[std::ops::Range<usize>] {
1322        &self.raw_block_ranges
1323    }
1324    fn compiled_block_ranges(&self) -> &[std::ops::Range<usize>] {
1325        &self.compiled_block_ranges
1326    }
1327}
1328
1329/// Closed-form Gram-based identifiability compile.
1330///
1331/// Sequential algorithm operating purely on the raw-width Grams
1332/// `K^H = Σ_i J_iᵀ H_i J_i` (curvature) and `K^S = Σ_i J_iᵀ J_i`
1333/// (structural). Walks `ordering` left-to-right; for each block `b` with
1334/// raw-width selector `P_b` (columns of the identity selecting that
1335/// block) and cumulative compiled map `T = [T_0, …, T_{b-1}]`:
1336///
1337/// 1. Structural rank step (drop true gauges):
1338///    `G^S_AA = Tᵀ K^S T`, `G^S_Ab = Tᵀ K^S P_b`, `G^S_bb = P_bᵀ K^S P_b`,
1339///    `R_S = (G^S_AA)^+ G^S_Ab`, `G^S_res = G^S_bb − G^S_Abᵀ R_S`.
1340///    Eigendecompose `G^S_res`; keep positive eigvecs `Q+`. Then
1341///    `D = (P_b − T R_S) · Q+` (raw-space cols, structurally independent
1342///    of `T`).
1343/// 2. Curvature step (within-block conditioning):
1344///    `G^H_AA = Tᵀ K^H T`, `G^H_AD = Tᵀ K^H D`,
1345///    `R_H = (G^H_AA)^+ G^H_AD`, `E = D − T R_H` (raw-space).
1346///    Curvature Gram `G^H_res = Dᵀ K^H D − G^H_ADᵀ R_H`. Eigendecompose
1347///    and keep positive eigvecs `U`. Then `T_b = E · U`.
1348/// 3. Append: `T ← [T, T_b]`.
1349///
1350/// Returns [`CompilerError::FullyAliased`] only when the first block has no
1351/// usable structural/curvature span. Later fully absorbed blocks compile to a
1352/// zero-width block range, which is the reduced-coordinate representation of
1353/// the lower-priority block owning no degrees of freedom.
1354pub fn compile_from_raw_grams(
1355    gram_h: &Array2<f64>,
1356    gram_struct: &Array2<f64>,
1357    raw_block_ranges: &[std::ops::Range<usize>],
1358    ordering: &[BlockOrder],
1359) -> Result<CompiledMap, CompilerError> {
1360    compile_from_raw_grams_protected(gram_h, gram_struct, raw_block_ranges, ordering, &[])
1361}
1362
1363/// Variant of [`compile_from_raw_grams`] that keeps designated blocks at full
1364/// raw width instead of dropping their near-null structural/curvature
1365/// directions.
1366///
1367/// `protected[b] == true` forces block `b` to retain **all** of its raw
1368/// columns: the structural and curvature eigenspace filters that would drop
1369/// weak directions are replaced by identity, so `T_b` embeds the full raw
1370/// block (orthogonalised against earlier anchors) rather than a reduced
1371/// section. The block still serves as a full-width anchor for every later
1372/// (unprotected) block, so cross-block aliasing against it is removed exactly
1373/// as before — only the protected block's own within-block reparameterisation
1374/// is suppressed.
1375///
1376/// This exists for blocks whose effective Jacobian is a **fixed nonlinear
1377/// functional basis** rather than a plain linear design (e.g. the survival
1378/// marginal-slope monotone time-wiggle block). Such a block's chain-rule
1379/// Jacobian recomputes its basis at the raw coefficient width on every
1380/// evaluation and therefore cannot be expressed on a linearly recombined /
1381/// reduced design; reparameterising it silently corrupts — and can index out
1382/// of bounds in — that basis evaluation. Keeping it at raw width lets its own
1383/// penalty nullspace regularise its conditioning, which is the correct
1384/// treatment for a within-block (as opposed to cross-block) rank deficiency.
1385///
1386/// `protected` may be shorter than `ordering` (missing entries default to
1387/// `false`); an empty slice reproduces [`compile_from_raw_grams`] exactly.
1388pub fn compile_from_raw_grams_protected(
1389    gram_h: &Array2<f64>,
1390    gram_struct: &Array2<f64>,
1391    raw_block_ranges: &[std::ops::Range<usize>],
1392    ordering: &[BlockOrder],
1393    protected: &[bool],
1394) -> Result<CompiledMap, CompilerError> {
1395    if raw_block_ranges.len() != ordering.len() {
1396        return Err(CompilerError::DimensionMismatch(format!(
1397            "raw_block_ranges ({}) and ordering ({}) length mismatch",
1398            raw_block_ranges.len(),
1399            ordering.len()
1400        )));
1401    }
1402    let p_raw = raw_block_ranges.last().map(|r| r.end).unwrap_or(0);
1403    if gram_h.shape() != [p_raw, p_raw] {
1404        return Err(CompilerError::DimensionMismatch(format!(
1405            "gram_h shape {:?} != [p_raw={p_raw}, p_raw={p_raw}]",
1406            gram_h.shape()
1407        )));
1408    }
1409    if gram_struct.shape() != [p_raw, p_raw] {
1410        return Err(CompilerError::DimensionMismatch(format!(
1411            "gram_struct shape {:?} != [p_raw={p_raw}, p_raw={p_raw}]",
1412            gram_struct.shape()
1413        )));
1414    }
1415    if raw_block_ranges.is_empty() {
1416        return Ok(CompiledMap {
1417            raw_from_compiled: Array2::<f64>::zeros((0, 0)),
1418            compiled_block_ranges: Vec::new(),
1419            raw_block_ranges: Vec::new(),
1420        });
1421    }
1422    // Validate contiguous ranges from 0.
1423    let mut expected_start = 0usize;
1424    for (b, r) in raw_block_ranges.iter().enumerate() {
1425        if r.start != expected_start {
1426            return Err(CompilerError::DimensionMismatch(format!(
1427                "raw_block_ranges must be contiguous from 0; block {b} starts at {} expected {expected_start}",
1428                r.start
1429            )));
1430        }
1431        expected_start = r.end;
1432    }
1433
1434    // Cumulative raw-from-compiled map. Starts empty (zero compiled cols).
1435    let mut t_cum: Array2<f64> = Array2::<f64>::zeros((p_raw, 0));
1436    let mut compiled_block_ranges: Vec<std::ops::Range<usize>> =
1437        Vec::with_capacity(raw_block_ranges.len());
1438
1439    for (idx, range_b) in raw_block_ranges.iter().enumerate() {
1440        let p_b = range_b.end - range_b.start;
1441        let block_protected = protected.get(idx).copied().unwrap_or(false);
1442        // A zero-width block owns no raw columns. It contributes no compiled
1443        // degrees of freedom and — having no columns — cannot alias against any
1444        // anchor, so it is trivially identifiable. Emit an empty compiled range
1445        // and skip the structural/curvature analysis: a 0×0 residual Gram has no
1446        // positive eigenspace, which the first-block guard below would otherwise
1447        // mis-report as `FullyAliased` even though there is literally nothing to
1448        // alias. This mirrors the empty range a fully-absorbed later block
1449        // already compiles to (see the `q_plus.ncols() == 0` / `u_mat.ncols() == 0`
1450        // branches), keeping `kept_width + dropped_count == raw_width` exact.
1451        if p_b == 0 {
1452            let at = t_cum.ncols();
1453            compiled_block_ranges.push(at..at);
1454            continue;
1455        }
1456        // Slice gram columns/rows by raw block range. P_bᵀ K X = rows
1457        // range_b of K X. K^S T and K^H T are full-rows products.
1458        // 1) Structural rank step.
1459        // K^S · T (p_raw × p_compiled)
1460        let ks_t = fast_ab(gram_struct, &t_cum);
1461        // G^S_AA = Tᵀ K^S T (p_compiled × p_compiled)
1462        let g_s_aa = fast_atb(&t_cum, &ks_t);
1463        // G^S_Ab = Tᵀ K^S P_b = Tᵀ · K^S[:, range_b] (p_compiled × p_b)
1464        let ks_pb = gram_struct
1465            .slice(s![.., range_b.start..range_b.end])
1466            .to_owned();
1467        let g_s_ab = fast_atb(&t_cum, &ks_pb);
1468        // G^S_bb = P_bᵀ K^S P_b = K^S[range_b, range_b] (p_b × p_b)
1469        let g_s_bb = gram_struct
1470            .slice(s![range_b.start..range_b.end, range_b.start..range_b.end])
1471            .to_owned();
1472        // R_S = (G^S_AA)^+ G^S_Ab (p_compiled × p_b)
1473        let r_s = solve_psd_system(&g_s_aa, &g_s_ab)?;
1474        // G^S_res = G^S_bb − G^S_Abᵀ R_S (p_b × p_b), symmetrise.
1475        let g_s_res_raw = &g_s_bb - &fast_atb(&g_s_ab, &r_s);
1476        let g_s_res = symmetrise(&g_s_res_raw);
1477        // Trace of the unresidualised diagonal block (scale ref).
1478        let g_s_bb_trace: f64 = (0..p_b).map(|i| g_s_bb[[i, i]].max(0.0)).sum();
1479        // p_raw stands in as the "n*K" scale for the closed-form tolerance.
1480        // A protected block keeps every raw column (identity structural span);
1481        // the residual-Gram eigenfilter that would drop weak directions is
1482        // suppressed so the block emerges at full raw width.
1483        let q_plus = if block_protected {
1484            Array2::<f64>::eye(p_b)
1485        } else {
1486            keep_positive_eigenspace(&g_s_res, p_raw, 1, g_s_bb_trace)?
1487        };
1488        if q_plus.ncols() == 0 {
1489            if t_cum.ncols() == 0 {
1490                return Err(CompilerError::FullyAliased {
1491                    block_idx: idx,
1492                    reason: format!(
1493                        "structural residual Gram has no positive eigenspace (block of width {p_b} has zero structural span before any anchor exists)"
1494                    ),
1495                });
1496            }
1497            let at = t_cum.ncols();
1498            compiled_block_ranges.push(at..at);
1499            continue;
1500        }
1501        // D = (P_b − T R_S) · Q+ (p_raw × k_kept). Build (P_b − T R_S)
1502        // explicitly as a p_raw × p_b matrix: columns of P_b are columns
1503        // range_b of I_p_raw, so (P_b − T R_S) places −T R_S in all rows
1504        // and adds the identity on rows range_b.
1505        let mut diff = Array2::<f64>::zeros((p_raw, p_b));
1506        if t_cum.ncols() > 0 {
1507            // diff = −T · R_S
1508            let t_rs = fast_ab(&t_cum, &r_s);
1509            for i in 0..p_raw {
1510                for j in 0..p_b {
1511                    diff[[i, j]] = -t_rs[[i, j]];
1512                }
1513            }
1514        }
1515        for j in 0..p_b {
1516            diff[[range_b.start + j, j]] += 1.0;
1517        }
1518        let d_mat = fast_ab(&diff, &q_plus);
1519
1520        // 2) Curvature step.
1521        // K^H · T (p_raw × p_compiled), K^H · D (p_raw × k_kept)
1522        let kh_t = fast_ab(gram_h, &t_cum);
1523        let g_h_aa = fast_atb(&t_cum, &kh_t);
1524        let kh_d = fast_ab(gram_h, &d_mat);
1525        let g_h_ad = fast_atb(&t_cum, &kh_d);
1526        let r_h = solve_psd_system(&g_h_aa, &g_h_ad)?;
1527        // G^H_res = Dᵀ K^H D − G^H_ADᵀ R_H (k_kept × k_kept)
1528        let d_t_kh_d = fast_atb(&d_mat, &kh_d);
1529        let g_h_res_raw = &d_t_kh_d - &fast_atb(&g_h_ad, &r_h);
1530        let g_h_res = symmetrise(&g_h_res_raw);
1531        let k_kept = q_plus.ncols();
1532        let g_h_dd_trace: f64 = (0..k_kept).map(|i| d_t_kh_d[[i, i]].max(0.0)).sum();
1533        // A protected block also retains every structurally-kept curvature
1534        // direction (identity curvature span), so no within-block conditioning
1535        // drop occurs; its own penalty nullspace regularises the fit instead.
1536        let u_mat = if block_protected {
1537            Array2::<f64>::eye(k_kept)
1538        } else {
1539            keep_positive_eigenspace(&g_h_res, p_raw, 1, g_h_dd_trace)?
1540        };
1541        if u_mat.ncols() == 0 {
1542            if t_cum.ncols() == 0 {
1543                return Err(CompilerError::FullyAliased {
1544                    block_idx: idx,
1545                    reason: format!(
1546                        "curvature residual Gram has no positive eigenspace within structurally-kept basis (block of width {p_b}, structural-kept {k_kept}) before any anchor exists"
1547                    ),
1548                });
1549            }
1550            let at = t_cum.ncols();
1551            compiled_block_ranges.push(at..at);
1552            continue;
1553        }
1554        // E = D − T · R_H (p_raw × k_kept); T_b = E · U.
1555        let mut e_mat = d_mat.clone();
1556        if t_cum.ncols() > 0 {
1557            let t_rh = fast_ab(&t_cum, &r_h);
1558            e_mat = &e_mat - &t_rh;
1559        }
1560        let t_b = fast_ab(&e_mat, &u_mat);
1561
1562        let start = t_cum.ncols();
1563        let end = start + t_b.ncols();
1564        compiled_block_ranges.push(start..end);
1565        t_cum = concat_cols(&t_cum, &t_b);
1566    }
1567
1568    // Finite check.
1569    for v in t_cum.iter() {
1570        if !v.is_finite() {
1571            return Err(CompilerError::LinalgFailure(
1572                "compile_from_raw_grams produced non-finite entry in raw_from_compiled".to_string(),
1573            ));
1574        }
1575    }
1576
1577    Ok(CompiledMap {
1578        raw_from_compiled: t_cum,
1579        compiled_block_ranges,
1580        raw_block_ranges: raw_block_ranges.to_vec(),
1581    })
1582}
1583
1584impl CompiledMap {
1585    /// Raw coefficient width (`p_raw`).
1586    pub fn p_raw(&self) -> usize {
1587        self.raw_from_compiled.nrows()
1588    }
1589
1590    /// Compiled (reduced) coefficient width (`p_compiled`).
1591    pub fn p_compiled(&self) -> usize {
1592        self.raw_from_compiled.ncols()
1593    }
1594
1595    /// Reparameterise a raw design into compiled coordinates:
1596    /// `X_compiled = X_raw · T` (`n × p_compiled`). Because the lift is
1597    /// `β_raw = T β_compiled`, the compiled design predicts identically to the
1598    /// raw design on every compiled coefficient: `X_compiled · θ = X_raw · (T θ)`.
1599    /// Families that build directly in reduced coordinates feed this compiled
1600    /// design (and the [`reduce_penalties_with_map`] penalties) to the solver;
1601    /// the rank-deficient raw basis never reaches Newton.
1602    pub fn reduce_design(&self, raw_design: &Array2<f64>) -> Result<Array2<f64>, String> {
1603        if raw_design.ncols() != self.p_raw() {
1604            return Err(format!(
1605                "CompiledMap::reduce_design: raw_design has {} columns, expected p_raw {}",
1606                raw_design.ncols(),
1607                self.p_raw()
1608            ));
1609        }
1610        Ok(fast_ab(raw_design, &self.raw_from_compiled))
1611    }
1612
1613    /// Lift a fitted compiled-width coefficient vector back to raw width:
1614    /// `β_raw = T · β_compiled`. This is the exact inverse direction of the
1615    /// quotient reduction — the reduced coordinates are what Newton/REML
1616    /// operate in, and this map carries the final estimate (and any linear
1617    /// functional of it) back to the original parameterisation so reported
1618    /// coefficients and predictions match the raw design.
1619    pub fn lift_coefficients(&self, beta_compiled: &Array1<f64>) -> Result<Array1<f64>, String> {
1620        if beta_compiled.len() != self.p_compiled() {
1621            return Err(format!(
1622                "CompiledMap::lift_coefficients: beta_compiled len {} != p_compiled {}",
1623                beta_compiled.len(),
1624                self.p_compiled()
1625            ));
1626        }
1627        Ok(self.raw_from_compiled.dot(beta_compiled))
1628    }
1629
1630    /// The rows of `T` belonging to raw block `b` (`T[raw_block_ranges[b], :]`,
1631    /// shape `p_b_raw × p_compiled`). A raw-block penalty `S_b` acts only on
1632    /// these raw columns, so the penalty's reduced-coordinate form depends on
1633    /// `T` only through this slice.
1634    fn raw_block_rows(&self, block_idx: usize) -> Result<Array2<f64>, String> {
1635        let range = self.raw_block_ranges.get(block_idx).ok_or_else(|| {
1636            format!(
1637                "CompiledMap::raw_block_rows: block {block_idx} out of range {}",
1638                self.raw_block_ranges.len()
1639            )
1640        })?;
1641        Ok(self
1642            .raw_from_compiled
1643            .slice(s![range.start..range.end, ..])
1644            .to_owned())
1645    }
1646}
1647
1648/// Transform a per-block raw-width penalty into the compiled (reduced)
1649/// coordinate frame defined by `map`.
1650///
1651/// `raw_penalties[b]` is the penalty matrix `S_b` acting on raw block `b`
1652/// (shape `p_b_raw × p_b_raw`), or `None` for an unpenalised block. The
1653/// returned `reduced[b]` is the **full** `(p_compiled × p_compiled)` penalty
1654/// `Tᵀ Ŝ_b T`, where `Ŝ_b` embeds `S_b` into the `p_raw × p_raw` zero matrix
1655/// at block `b`'s position. Because `Ŝ_b` is zero outside block `b`'s rows and
1656/// columns, this equals `T_bᵀ S_b T_b` with `T_b = T[raw_block_ranges[b], :]`,
1657/// so the reduced penalty is computed from the block's lift rows alone — no
1658/// dense `p_raw × p_raw` embedding is materialised.
1659///
1660/// Exactness: for any compiled coefficient `θ` with raw lift `β = T θ`, the raw
1661/// penalty energy `βᵀ Ŝ_b β = (T θ)ᵀ Ŝ_b (T θ) = θᵀ (Tᵀ Ŝ_b T) θ`, so the
1662/// reduced penalty reproduces the raw penalty energy on every lifted point.
1663/// A compiled block that absorbed to zero width simply contributes a zero
1664/// column range; its raw penalty (if any) projects onto the surviving
1665/// compiled directions through `T_b`, never lost.
1666pub fn reduce_penalties_with_map(
1667    map: &CompiledMap,
1668    raw_penalties: &[Option<Array2<f64>>],
1669) -> Result<Vec<Option<Array2<f64>>>, String> {
1670    if raw_penalties.len() != map.raw_block_ranges.len() {
1671        return Err(format!(
1672            "reduce_penalties_with_map: raw_penalties ({}) != blocks ({})",
1673            raw_penalties.len(),
1674            map.raw_block_ranges.len()
1675        ));
1676    }
1677    let p_compiled = map.p_compiled();
1678    let mut reduced: Vec<Option<Array2<f64>>> = Vec::with_capacity(raw_penalties.len());
1679    for (block_idx, raw_penalty) in raw_penalties.iter().enumerate() {
1680        let Some(s_b) = raw_penalty.as_ref() else {
1681            reduced.push(None);
1682            continue;
1683        };
1684        let p_b_raw = map.raw_block_ranges[block_idx].len();
1685        if s_b.shape() != [p_b_raw, p_b_raw] {
1686            return Err(format!(
1687                "reduce_penalties_with_map: block {block_idx} penalty shape {:?} != [{p_b_raw}, {p_b_raw}]",
1688                s_b.shape()
1689            ));
1690        }
1691        // T_b = T[raw rows of block b, :]  (p_b_raw × p_compiled)
1692        let t_b = map.raw_block_rows(block_idx)?;
1693        // S_compiled = T_bᵀ S_b T_b  (p_compiled × p_compiled)
1694        let s_t_b = fast_ab(s_b, &t_b); // (p_b_raw × p_compiled)
1695        let s_compiled_raw = fast_atb(&t_b, &s_t_b); // (p_compiled × p_compiled)
1696        let mut s_compiled = symmetrise(&s_compiled_raw);
1697        if s_compiled.shape() != [p_compiled, p_compiled] {
1698            return Err(format!(
1699                "reduce_penalties_with_map: block {block_idx} reduced penalty shape {:?} != [{p_compiled}, {p_compiled}]",
1700                s_compiled.shape()
1701            ));
1702        }
1703        for v in s_compiled.iter_mut() {
1704            if !v.is_finite() {
1705                return Err(format!(
1706                    "reduce_penalties_with_map: block {block_idx} reduced penalty has non-finite entry"
1707                ));
1708            }
1709        }
1710        reduced.push(Some(s_compiled));
1711    }
1712    Ok(reduced)
1713}
1714
1715/// Per-block exact orthogonal reparameterisation of structural confounds.
1716///
1717/// `block_transforms[b]` is a dense `(p_b × r_b)` reparam `V_b` mapping raw
1718/// block-`b` coefficients to reduced coordinates: the orthogonalised block
1719/// design is `X_b · V_b`, and a fitted reduced coefficient lifts back to raw
1720/// space exactly via `β_b_raw = V_b · θ_b`. `r_b ≤ p_b`; `r_b < p_b` exactly
1721/// when block `b` carries `p_b − r_b` directions already spanned (in the
1722/// pilot W-metric) by the cumulative anchor of all higher-priority blocks —
1723/// those directions are removed (not penalised), so the joint design
1724/// `[X_0 V_0 | X_1 V_1 | …]` has the overlap excised exactly.
1725pub struct BlockOrthogonalization {
1726    /// `block_transforms[b]`: the `(p_b × r_b)` reparam `V_b` for raw block `b`,
1727    /// in the **original block order** (parallel to the `block_designs` input).
1728    pub block_transforms: Vec<Array2<f64>>,
1729    /// `(block_idx, local_raw_col_count_dropped)` for every block whose
1730    /// reduced width is strictly smaller than its raw width — i.e. the blocks
1731    /// that shed overlap directions against the anchor. Empty when no block
1732    /// overlapped (every `V_b` is then a `p_b × p_b` rotation/identity).
1733    pub dropped: Vec<(usize, usize)>,
1734    /// One structural annotation per input block, in original block order.
1735    ///
1736    /// This is the explicit "same direction vs independent direction" verdict:
1737    /// `Independent` means the block kept its full realized-design rank, while
1738    /// `PartiallyAbsorbed...` / `FullyAbsorbed...` mean the lower-priority block
1739    /// shared realized-design directions with the cumulative anchor and those
1740    /// directions were removed rather than assigned a separate penalty.
1741    pub direction_annotations: Vec<PenalizedDirectionAnnotation>,
1742}
1743
1744/// Build per-block exact W-metric orthogonalising reparameterisations.
1745///
1746/// `block_designs[b]` is the raw `(n × p_b)` design of block `b`.
1747/// `priority[b]` is the block's gauge priority — blocks are residualised in
1748/// **descending** priority order, so the highest-priority block keeps its full
1749/// column span and lower-priority blocks shed only the directions already
1750/// explained by the cumulative higher-priority anchor. `weight` is the pilot
1751/// W-metric row weight `w_i ≥ 0` (the diagonal of the working GLM/GAM Hessian
1752/// at the pilot β); pass an all-ones vector for the plain Euclidean metric.
1753///
1754/// The returned `block_transforms` are in the **original** block order. For a
1755/// block whose columns are all W-orthogonal to the anchor, `V_b` is a square
1756/// `p_b × p_b` orthonormal rotation (rank preserved, round-trip exact). For a
1757/// block with an overlap of dimension `d`, `V_b` is `p_b × (p_b − d)` and the
1758/// `d` overlap directions are removed exactly.
1759///
1760/// Exactness / round-trip: `X_b · V_b` is the reduced design and
1761/// `β_b_raw = V_b · θ_b` lifts a reduced fit back to raw coordinates. `V_b` has
1762/// orthonormal columns (eigenvectors of the residual Gram), so the lift is the
1763/// minimum-norm raw representative of the reduced fit.
1764pub fn orthogonalize_design_blocks(
1765    block_designs: &[Array2<f64>],
1766    priority: &[u32],
1767    weight: &[f64],
1768) -> Result<BlockOrthogonalization, CompilerError> {
1769    if block_designs.len() != priority.len() {
1770        return Err(CompilerError::DimensionMismatch(format!(
1771            "block_designs ({}) and priority ({}) length mismatch",
1772            block_designs.len(),
1773            priority.len()
1774        )));
1775    }
1776    if block_designs.is_empty() {
1777        return Ok(BlockOrthogonalization {
1778            block_transforms: Vec::new(),
1779            dropped: Vec::new(),
1780            direction_annotations: Vec::new(),
1781        });
1782    }
1783    let n = block_designs[0].nrows();
1784    for (b, x) in block_designs.iter().enumerate() {
1785        if x.nrows() != n {
1786            return Err(CompilerError::DimensionMismatch(format!(
1787                "block {b} design has {} rows but block 0 has {n}",
1788                x.nrows()
1789            )));
1790        }
1791    }
1792    if weight.len() != n {
1793        return Err(CompilerError::DimensionMismatch(format!(
1794            "weight length {} != n {n}",
1795            weight.len()
1796        )));
1797    }
1798    // sqrt(W) row scale. The pilot Hessian is PSD-clamped upstream; accepting
1799    // a negative or non-finite value here would silently change the requested
1800    // metric and can turn an aliased direction into an apparently independent
1801    // one. Reject the invalid mathematical object at the boundary.
1802    let mut sqrt_w = Array1::<f64>::zeros(n);
1803    for i in 0..n {
1804        let wi = weight[i];
1805        if !wi.is_finite() || wi < 0.0 {
1806            return Err(CompilerError::InvalidMetric(format!(
1807                "weight[{i}] must be finite and non-negative; got {wi}"
1808            )));
1809        }
1810        sqrt_w[i] = wi.sqrt();
1811    }
1812
1813    // Descending-priority visitation order over the original block indices.
1814    // Stable on ties (preserves input order) so the anchor build is
1815    // deterministic.
1816    let mut order: Vec<usize> = (0..block_designs.len()).collect();
1817    order.sort_by(|&a, &b| priority[b].cmp(&priority[a]));
1818
1819    // Cumulative weighted anchor `A = sqrt(W) · [kept block designs]`.
1820    let mut anchor: Array2<f64> = Array2::<f64>::zeros((n, 0));
1821
1822    // Output transforms indexed by ORIGINAL block index (filled out of order).
1823    let mut block_transforms: Vec<Option<Array2<f64>>> = vec![None; block_designs.len()];
1824    let mut direction_annotations: Vec<Option<PenalizedDirectionAnnotation>> =
1825        vec![None; block_designs.len()];
1826    let mut dropped: Vec<(usize, usize)> = Vec::new();
1827
1828    for &b in order.iter() {
1829        let x_b = &block_designs[b];
1830        let p_b = x_b.ncols();
1831        // Weighted block design `W_b = sqrt(W) · X_b`.
1832        let mut w_b = x_b.clone();
1833        for i in 0..n {
1834            let s = sqrt_w[i];
1835            for j in 0..p_b {
1836                w_b[[i, j]] *= s;
1837            }
1838        }
1839        // Residualise `W_b` against the cumulative anchor in the W-metric and
1840        // eigendecompose the residual Gram. Eigenvectors with positive
1841        // eigenvalues span block `b`'s W-orthogonal-to-anchor column space;
1842        // the zero-eigenvalue directions are exactly the overlap with the
1843        // anchor and are removed.
1844        let (residual, _correction) = residualise_in_metric(&anchor, &w_b)?;
1845        let g_res = symmetrise(&fast_atb(&residual, &residual));
1846        // Scale reference for `keep_positive_eigenspace` must be the
1847        // *original* (pre-residualisation) weighted block Gram trace, NOT the
1848        // residual's. When `b` is fully absorbed by a higher-priority anchor
1849        // the residual collapses to floating-point noise (~ε² of the original
1850        // O(1) data); anchoring tau to that noise floor would keep the noise
1851        // eigenvalues and misreport a fully-absorbed block as `Independent`.
1852        // The original-block trace is invariant to absorption, so a near-zero
1853        // residual is correctly rejected as fully absorbed.
1854        let g_bb = fast_atb(&w_b, &w_b);
1855        let g_bb_trace: f64 = (0..p_b).map(|i| g_bb[[i, i]].max(0.0)).sum();
1856        let v_b = keep_positive_eigenspace(&g_res, n, 1, g_bb_trace)?;
1857        let r_b = v_b.ncols();
1858        let absorbed_width = p_b - r_b;
1859        let kind = if absorbed_width == 0 {
1860            PenalizedDirectionAnnotationKind::Independent
1861        } else if r_b == 0 {
1862            PenalizedDirectionAnnotationKind::FullyAbsorbedByHigherPriority
1863        } else {
1864            PenalizedDirectionAnnotationKind::PartiallyAbsorbedByHigherPriority
1865        };
1866        direction_annotations[b] = Some(PenalizedDirectionAnnotation {
1867            block_idx: b,
1868            raw_width: p_b,
1869            kept_width: r_b,
1870            absorbed_width,
1871            kind,
1872        });
1873        if absorbed_width > 0 {
1874            dropped.push((b, absorbed_width));
1875        }
1876        // Append this block's kept, W-orthogonalised weighted columns to the
1877        // anchor so lower-priority blocks residualise against them too. The
1878        // residual (already anchor-orthogonal) projected onto the kept basis
1879        // is `residual · V_b` — these are mutually orthogonal in the W-metric
1880        // by construction of `keep_positive_eigenspace`.
1881        let kept_weighted = fast_ab(&residual, &v_b);
1882        anchor = concat_cols(&anchor, &kept_weighted);
1883        block_transforms[b] = Some(v_b);
1884    }
1885
1886    let block_transforms: Vec<Array2<f64>> = block_transforms
1887        .into_iter()
1888        .enumerate()
1889        .map(|(b, t)| {
1890            t.ok_or_else(|| {
1891                CompilerError::LinalgFailure(format!(
1892                    "orthogonalize_design_blocks: block {b} transform was never assigned"
1893                ))
1894            })
1895        })
1896        .collect::<Result<Vec<_>, _>>()?;
1897    let direction_annotations: Vec<PenalizedDirectionAnnotation> = direction_annotations
1898        .into_iter()
1899        .enumerate()
1900        .map(|(b, annotation)| {
1901            annotation.ok_or_else(|| {
1902                CompilerError::LinalgFailure(format!(
1903                    "orthogonalize_design_blocks: block {b} direction annotation was never assigned"
1904                ))
1905            })
1906        })
1907        .collect::<Result<Vec<_>, _>>()?;
1908
1909    // Finite check on every transform.
1910    for (b, v) in block_transforms.iter().enumerate() {
1911        for value in v.iter() {
1912            if !value.is_finite() {
1913                return Err(CompilerError::LinalgFailure(format!(
1914                    "orthogonalize_design_blocks: block {b} transform has a non-finite entry"
1915                )));
1916            }
1917        }
1918    }
1919
1920    Ok(BlockOrthogonalization {
1921        block_transforms,
1922        dropped,
1923        direction_annotations,
1924    })
1925}
1926
1927/// Symmetrise a (nearly-symmetric) matrix by averaging with its transpose.
1928fn symmetrise(m: &Array2<f64>) -> Array2<f64> {
1929    let (r, c) = m.dim();
1930    assert_eq!(r, c, "symmetrise expects square matrix");
1931    let mut out = Array2::<f64>::zeros((r, c));
1932    for i in 0..r {
1933        for j in 0..c {
1934            out[[i, j]] = 0.5 * (m[[i, j]] + m[[j, i]]);
1935        }
1936    }
1937    out
1938}
1939
1940#[cfg(test)]
1941mod tests {
1942    use super::*;
1943    use ndarray::{Array1, Array2};
1944
1945    /// Convenience: wrap a dense `(n × p)` block design as a `K=1`
1946    /// row-Jacobian operator. Used by tests; production families ship their
1947    /// own concrete operators.
1948    struct DenseScalarOperator {
1949        design: Array2<f64>,
1950    }
1951
1952    impl DenseScalarOperator {
1953        fn new(design: Array2<f64>) -> Self {
1954            Self { design }
1955        }
1956    }
1957
1958    impl RowJacobianOperator for DenseScalarOperator {
1959        fn k(&self) -> usize {
1960            1
1961        }
1962        fn ncols(&self) -> usize {
1963            self.design.ncols()
1964        }
1965        fn nrows(&self) -> usize {
1966            self.design.nrows()
1967        }
1968        fn apply_row(&self, row: usize, delta_beta: &[f64], out: &mut [f64]) {
1969            assert_eq!(out.len(), 1);
1970            let mut acc = 0.0;
1971            for (j, &b) in delta_beta.iter().enumerate() {
1972                acc += self.design[[row, j]] * b;
1973            }
1974            out[0] = acc;
1975        }
1976        fn evaluate_full(&self) -> Array3<f64> {
1977            let n = self.design.nrows();
1978            let p = self.design.ncols();
1979            let mut out = Array3::<f64>::zeros((n, p, 1));
1980            for i in 0..n {
1981                for j in 0..p {
1982                    out[[i, j, 0]] = self.design[[i, j]];
1983                }
1984            }
1985            out
1986        }
1987    }
1988
1989    // `IdentityRowHessian` is re-exported from the parent module's `use
1990    // super::*;` above (now a public struct so the dual-metric API can
1991    // share the default structural metric with callers).
1992
1993    /// Diagonal row Hessian with per-row scalar weights (K=1 case).
1994    struct DiagonalScalarRowHessian {
1995        w: Array1<f64>,
1996    }
1997
1998    impl DiagonalScalarRowHessian {
1999        fn new(w: Array1<f64>) -> Self {
2000            Self { w }
2001        }
2002    }
2003
2004    impl RowHessian for DiagonalScalarRowHessian {
2005        fn k(&self) -> usize {
2006            1
2007        }
2008        fn nrows(&self) -> usize {
2009            self.w.len()
2010        }
2011        fn fill_row(&self, row: usize, out: &mut [f64]) {
2012            assert_eq!(out.len(), 1);
2013            out[0] = self.w[row];
2014        }
2015        fn evaluate_full(&self) -> Array3<f64> {
2016            let n = self.w.len();
2017            let mut out = Array3::<f64>::zeros((n, 1, 1));
2018            for i in 0..n {
2019                out[[i, 0, 0]] = self.w[i];
2020            }
2021            out
2022        }
2023    }
2024
2025    fn op(design: Array2<f64>) -> Arc<dyn RowJacobianOperator> {
2026        Arc::new(DenseScalarOperator::new(design))
2027    }
2028
2029    /// §10 test #1: two affine blocks, identity row Hessian. The compiled
2030    /// second-block design must be orthogonal to the first block under the
2031    /// (identity) row metric to machine epsilon.
2032    #[test]
2033    fn compile_two_block_orthogonalises_under_metric() {
2034        let n = 50;
2035        let a = Array2::from_shape_fn((n, 3), |(i, j)| ((i + 1) as f64).sin().powi((j + 1) as i32));
2036        // B partly aliases A's first column.
2037        let b = Array2::from_shape_fn((n, 2), |(i, j)| {
2038            0.5 * a[[i, 0]] + ((i as f64) * 0.13 + j as f64).cos()
2039        });
2040        let hess = IdentityRowHessian::new(n, 1);
2041        let ops = vec![op(a.clone()), op(b.clone())];
2042        let compiled = compile(&ops, &hess, &[BlockOrder::Marginal, BlockOrder::Logslope])
2043            .expect("compile should succeed");
2044        // Build A's design (no rotation) and B's compiled design B·V − A·M.
2045        let v_b = &compiled.blocks[1].t_lw;
2046        let m_b = compiled.blocks[1]
2047            .anchor_correction
2048            .as_ref()
2049            .expect("second block must carry an anchor correction");
2050        let b_v = b.dot(v_b);
2051        let a_m = a.dot(m_b);
2052        let b_compiled = &b_v - &a_m;
2053        // <A, B_compiled>_I = Aᵀ · B_compiled should be ≈ 0.
2054        let cross = a.t().dot(&b_compiled);
2055        let max_err = cross.iter().fold(0.0_f64, |acc, &v| acc.max(v.abs()));
2056        assert!(
2057            max_err < 1e-10,
2058            "orthogonality residual too large: {max_err:e}"
2059        );
2060    }
2061
2062    /// §10 test #2: three-block chain with sequential aliases.
2063    #[test]
2064    fn compile_three_block_chain() {
2065        let n = 80;
2066        let a = Array2::from_shape_fn((n, 2), |(i, j)| (i as f64 * 0.1 + j as f64).sin());
2067        let b = Array2::from_shape_fn((n, 2), |(i, j)| {
2068            0.3 * a[[i, 0]] + (j as f64) * (i as f64).cos()
2069        });
2070        let c = Array2::from_shape_fn((n, 2), |(i, j)| {
2071            0.2 * a[[i, 1]] + 0.4 * b[[i, 0]] + ((i + j) as f64).tan().min(5.0).max(-5.0)
2072        });
2073        let hess = IdentityRowHessian::new(n, 1);
2074        let ops = vec![op(a), op(b), op(c)];
2075        let compiled = compile(
2076            &ops,
2077            &hess,
2078            &[
2079                BlockOrder::Marginal,
2080                BlockOrder::Logslope,
2081                BlockOrder::LinkDev,
2082            ],
2083        )
2084        .expect("compile should succeed");
2085        let total: usize = compiled.blocks.iter().map(|b| b.t_lw.ncols()).sum();
2086        assert_eq!(
2087            compiled.joint_rank, total,
2088            "audit must report full rank on synthetic full-rank design"
2089        );
2090    }
2091
2092    /// `compile_protected` keeps a rank-deficient protected first block at full
2093    /// raw width (identity V) while the unprotected path drops its null
2094    /// direction, and later blocks still orthogonalise against the full anchor.
2095    /// Mirrors the `compile_from_raw_grams_protected` guard for the operator
2096    /// (per-term) reduction path used by the survival time-wiggle time block.
2097    #[test]
2098    fn compile_protected_keeps_rank_deficient_first_block_full_width() {
2099        let n = 40;
2100        // Block A: two identical columns → structural rank 1 (one within-block
2101        // null the unprotected filter drops).
2102        let a = Array2::from_shape_fn((n, 2), |(i, _)| ((i + 1) as f64 * 0.31).sin());
2103        let b = Array2::from_shape_fn((n, 2), |(i, j)| ((i as f64) * 0.17 + j as f64).cos());
2104        let hess = IdentityRowHessian::new(n, 1);
2105        let ordering = [BlockOrder::Time, BlockOrder::Marginal];
2106
2107        let unprotected = compile(&[op(a.clone()), op(b.clone())], &hess, &ordering)
2108            .expect("unprotected compile");
2109        assert_eq!(
2110            unprotected.blocks[0].t_lw.ncols(),
2111            1,
2112            "unprotected first block drops its duplicate column"
2113        );
2114
2115        let protected = compile_protected(
2116            &[op(a.clone()), op(b.clone())],
2117            &hess,
2118            &ordering,
2119            &[true, false],
2120        )
2121        .expect("protected compile");
2122        let v_a = &protected.blocks[0].t_lw;
2123        assert_eq!(
2124            v_a.ncols(),
2125            2,
2126            "protected first block retains its full raw width"
2127        );
2128        // V_a is the 2×2 identity: raw coords == compiled coords for the
2129        // protected first block.
2130        for i in 0..2 {
2131            for j in 0..2 {
2132                let expect = if i == j { 1.0 } else { 0.0 };
2133                assert!(
2134                    (v_a[[i, j]] - expect).abs() <= 1e-12,
2135                    "protected first block V must be identity, got [{i},{j}]={}",
2136                    v_a[[i, j]]
2137                );
2138            }
2139        }
2140    }
2141
2142    /// §10 test #3: non-identity row Hessian. With K=1 and weights `w`,
2143    /// the projection of a 1-col block `b` onto a 1-col block `a` is
2144    /// `Σ w·a·b / Σ w·a²`. Verify the Gram solve recovers this scalar.
2145    #[test]
2146    fn compile_weighted_metric_nontrivial() {
2147        let n = 32;
2148        let a: Array2<f64> = Array2::from_shape_fn((n, 1), |(i, _)| (i as f64 + 1.0).sqrt());
2149        let b: Array2<f64> =
2150            Array2::from_shape_fn((n, 1), |(i, _)| 0.7 * a[[i, 0]] + (i as f64 * 0.05).cos());
2151        let w = Array1::from_shape_fn(n, |i| 0.5 + (i as f64 * 0.2).sin().abs());
2152        let hess = DiagonalScalarRowHessian::new(w.clone());
2153        let ops = vec![op(a.clone()), op(b.clone())];
2154        let compiled = compile(&ops, &hess, &[BlockOrder::Marginal, BlockOrder::Logslope])
2155            .expect("compile should succeed");
2156        let m = compiled.blocks[1]
2157            .anchor_correction
2158            .as_ref()
2159            .expect("anchor correction present");
2160        let analytic_num: f64 = (0..n).map(|i| w[i] * a[[i, 0]] * b[[i, 0]]).sum();
2161        let analytic_den: f64 = (0..n).map(|i| w[i] * a[[i, 0]] * a[[i, 0]]).sum();
2162        let analytic = analytic_num / analytic_den;
2163        assert!(m.dim() == (1, 1));
2164        assert!(
2165            (m[[0, 0]] - analytic).abs() < 1e-10,
2166            "weighted projection mismatch: got {got}, analytic {analytic}",
2167            got = m[[0, 0]]
2168        );
2169    }
2170
2171    /// Regression for #372: an anchor block that internally sheds an aliased
2172    /// column makes the residualised kept-anchor width (`anchor_h.ncols()`)
2173    /// strictly smaller than the raw anchor width (`d_total`). The emitted
2174    /// `anchor_correction` must be expressed in *raw* anchor-column
2175    /// coordinates so the predict-time / install-time subtraction
2176    /// `A_raw(x)·M` is dimensionally and metrically correct. Previously the
2177    /// correction was indexed by kept directions, producing a (d_total−1)×k
2178    /// matrix and the failure
2179    /// `anchor_correction shape 36x6 does not match d_total=37`.
2180    #[test]
2181    fn compile_emits_anchor_correction_in_raw_column_coordinates() {
2182        let n = 64;
2183        // Anchor block A has 3 raw columns but only rank 2: col 2 is an exact
2184        // linear combination of cols 0 and 1, so the compiler keeps just two
2185        // anchor directions (kept width 2 < raw width 3).
2186        let a: Array2<f64> = Array2::from_shape_fn((n, 3), |(i, j)| {
2187            let c0 = (i as f64 * 0.07 + 1.0).ln();
2188            let c1 = (i as f64 * 0.13).sin();
2189            match j {
2190                0 => c0,
2191                1 => c1,
2192                _ => 2.0 * c0 - 0.5 * c1,
2193            }
2194        });
2195        // Candidate block C: partly aliases A's span plus genuine signal.
2196        let c: Array2<f64> = Array2::from_shape_fn((n, 2), |(i, j)| {
2197            0.4 * a[[i, 0]] + (j as f64) * (i as f64 * 0.05).cos() + (i as f64 * 0.011).tanh()
2198        });
2199        let w = Array1::from_shape_fn(n, |i| 0.3 + (i as f64 * 0.17).sin().abs());
2200        let hess = DiagonalScalarRowHessian::new(w.clone());
2201        let ops = vec![op(a.clone()), op(c.clone())];
2202        let compiled = compile(&ops, &hess, &[BlockOrder::Marginal, BlockOrder::LinkDev])
2203            .expect("compile should succeed");
2204
2205        let v = &compiled.blocks[1].t_lw;
2206        let m = compiled.blocks[1]
2207            .anchor_correction
2208            .as_ref()
2209            .expect("candidate block must carry an anchor correction");
2210        let k_kept = v.ncols();
2211        assert!(k_kept >= 1, "candidate must keep at least one direction");
2212
2213        // The off-by-one the issue tripped on: M must have one row per *raw*
2214        // anchor column (3), not per kept anchor direction (2).
2215        assert_eq!(
2216            m.nrows(),
2217            a.ncols(),
2218            "anchor_correction must be indexed by raw anchor columns (d_total), \
2219             got {} rows for {} raw anchor columns",
2220            m.nrows(),
2221            a.ncols(),
2222        );
2223        assert_eq!(m.ncols(), k_kept, "anchor_correction width must match V");
2224
2225        // Metric correctness: the raw-coordinate subtraction A_raw·M must make
2226        // the compiled candidate design W-orthogonal to the full raw anchor
2227        // span. C̃ = C·V − A·M; require Aᵀ W C̃ ≈ 0 column-wise.
2228        let c_v = c.dot(v);
2229        let a_m = a.dot(m);
2230        let c_tilde = &c_v - &a_m;
2231        let mut max_cross = 0.0_f64;
2232        for ac in 0..a.ncols() {
2233            for cc in 0..c_tilde.ncols() {
2234                let mut acc = 0.0;
2235                for i in 0..n {
2236                    acc += w[i] * a[[i, ac]] * c_tilde[[i, cc]];
2237                }
2238                max_cross = max_cross.max(acc.abs());
2239            }
2240        }
2241        assert!(
2242            max_cross < 1e-9,
2243            "raw-coordinate anchor correction must W-orthogonalise the candidate \
2244             against the raw anchor span; max |Aᵀ W C̃| = {max_cross:e}"
2245        );
2246    }
2247
2248    /// §10 test #4: deliberately rank-deficient joint design. The trailing
2249    /// pivot drop must come from the *latest* block in the ordering.
2250    #[test]
2251    fn compile_drops_trailing_pivots_from_latest_block() {
2252        let n = 40;
2253        let a = Array2::from_shape_fn((n, 2), |(i, j)| (i as f64 + 1.0).ln() * (j as f64 + 1.0));
2254        // c is exactly a's first column → after residualising c against a,
2255        // the residual span is zero in that direction, but a non-zero
2256        // independent column also exists. Add an extra exact-alias column
2257        // to force trailing-pivot drop at the audit stage.
2258        let c = Array2::from_shape_fn((n, 2), |(i, j)| {
2259            if j == 0 {
2260                a[[i, 0]]
2261            } else {
2262                (i as f64 * 0.1).cos()
2263            }
2264        });
2265        let hess = IdentityRowHessian::new(n, 1);
2266        let ops = vec![op(a), op(c)];
2267        // Manually inject a known alias: pass a second block whose
2268        // residualised columns will themselves be linearly dependent on
2269        // the first block after metric projection — already covered by the
2270        // eigenvalue threshold inside `compile`. Verify either drop path
2271        // (eigen-threshold or audit) attributes loss to block index 1.
2272        let compiled = compile(&ops, &hess, &[BlockOrder::Marginal, BlockOrder::Logslope])
2273            .expect("compile should succeed");
2274        // Either the eigen-threshold dropped a column from block 1, or
2275        // the audit did. In both cases block 1's V must have fewer than
2276        // its 2 input columns.
2277        let v1_cols = compiled.blocks[1].t_lw.ncols();
2278        assert!(
2279            v1_cols < 2 || !compiled.dropped.is_empty(),
2280            "expected rank loss attributed to block 1, got v1_cols={v1_cols}, dropped={dropped:?}",
2281            dropped = compiled.dropped
2282        );
2283        for (block_idx, _) in &compiled.dropped {
2284            assert_eq!(
2285                *block_idx, 1,
2286                "audit drops must come from the latest block only"
2287            );
2288        }
2289    }
2290
2291    /// Regression: when `audit_and_drop_trailing_pivots` truncates the
2292    /// latest block's `t_lw`, the sibling `anchor_correction` and `r_lw`
2293    /// matrices must be truncated to the same `k_kept` so the trailing-
2294    /// block install path sees a coherent
2295    /// `t_lw.ncols() == anchor_correction.ncols() == r_lw.ncols()` shape.
2296    ///
2297    /// Pre-fix bug: only `t_lw` got truncated. Downstream callers
2298    /// asserting `anchor_correction.ncols() == k_kept` then failed with
2299    /// `cross-block identifiability: anchor_correction shape D×P does
2300    /// not match expected d_total=D × k_kept=K` — surfaced via the
2301    /// large-scale V+M repro test.
2302    #[test]
2303    fn audit_truncation_keeps_t_lw_and_anchor_correction_in_lockstep() {
2304        let n = 40;
2305        let a = Array2::from_shape_fn((n, 2), |(i, j)| (i as f64 + 1.0).ln() * (j as f64 + 1.0));
2306        let c = Array2::from_shape_fn((n, 2), |(i, j)| {
2307            if j == 0 {
2308                a[[i, 0]]
2309            } else {
2310                (i as f64 * 0.1).cos()
2311            }
2312        });
2313        let hess = IdentityRowHessian::new(n, 1);
2314        let ops = vec![op(a), op(c)];
2315        let compiled = compile(&ops, &hess, &[BlockOrder::Marginal, BlockOrder::Logslope])
2316            .expect("compile should succeed");
2317        for (idx, block) in compiled.blocks.iter().enumerate() {
2318            let k_kept = block.t_lw.ncols();
2319            if let Some(m) = block.anchor_correction.as_ref() {
2320                assert_eq!(
2321                    m.ncols(),
2322                    k_kept,
2323                    "block {idx}: anchor_correction.ncols()={ac} must equal t_lw.ncols()={k_kept} \
2324                     after audit truncation",
2325                    ac = m.ncols(),
2326                );
2327            }
2328            if let Some(r) = block.r_lw.as_ref() {
2329                assert_eq!(
2330                    r.ncols(),
2331                    k_kept,
2332                    "block {idx}: r_lw.ncols()={r_cols} must equal t_lw.ncols()={k_kept} \
2333                     after audit truncation",
2334                    r_cols = r.ncols(),
2335                );
2336            }
2337        }
2338    }
2339
2340    /// §10 test #5: regression test for the deleted FlexEvaluation skip
2341    /// bug. A flex anchor (represented by a dense scalar operator with the
2342    /// same column span as the parametric reference) must receive the same
2343    /// residualisation as the parametric anchor.
2344    #[test]
2345    fn compile_flex_anchor_is_first_class() {
2346        let n = 60;
2347        // Two parametric blocks A, B; a third "flex" block C whose
2348        // operator is dense (modelling a compiled flex anchor's column
2349        // span). All-parametric reference vs. mixed parametric+flex must
2350        // produce identical compiled blocks B (residualised against A)
2351        // because the compiler treats every input as a `RowJacobianOperator`.
2352        let a = Array2::from_shape_fn((n, 2), |(i, j)| (i as f64 * 0.07 + j as f64).sin());
2353        let b = Array2::from_shape_fn((n, 2), |(i, j)| {
2354            0.4 * a[[i, 0]] + (j as f64) * (i as f64 + 1.0).ln()
2355        });
2356        let hess = IdentityRowHessian::new(n, 1);
2357
2358        let ops_param = vec![op(a.clone()), op(b.clone())];
2359        let compiled_param = compile(
2360            &ops_param,
2361            &hess,
2362            &[BlockOrder::Marginal, BlockOrder::Logslope],
2363        )
2364        .expect("compile should succeed");
2365
2366        // Now wrap A's design behind a mock anchor evaluator and feed it
2367        // to the compiler as a `DenseScalarOperator` with the same span.
2368        // The B-block result must match the parametric reference.
2369        let ops_flex = vec![op(a.clone()), op(b.clone())];
2370        let compiled_flex = compile(
2371            &ops_flex,
2372            &hess,
2373            &[BlockOrder::ScoreWarp, BlockOrder::LinkDev],
2374        )
2375        .expect("compile should succeed");
2376
2377        let m_param = compiled_param.blocks[1].anchor_correction.as_ref().unwrap();
2378        let m_flex = compiled_flex.blocks[1].anchor_correction.as_ref().unwrap();
2379        assert_eq!(m_param.dim(), m_flex.dim());
2380        let max_diff = (m_param - m_flex)
2381            .iter()
2382            .fold(0.0_f64, |acc, &v| acc.max(v.abs()));
2383        assert!(
2384            max_diff < 1e-12,
2385            "flex vs parametric anchor correction mismatch: {max_diff:e}"
2386        );
2387    }
2388
2389    /// §10 test #7: Bernoulli row Hessian = IRLS weight. Verified at the
2390    /// trait level — a `DiagonalScalarRowHessian` round-trips through
2391    /// `evaluate_full` to the same per-row scalar.
2392    #[test]
2393    fn bernoulli_row_hessian_matches_irls_weight() {
2394        let w = Array1::from(vec![0.1, 0.5, 0.9, 0.25, 0.75]);
2395        let hess = DiagonalScalarRowHessian::new(w.clone());
2396        let full = hess.evaluate_full();
2397        assert_eq!(full.shape(), &[5, 1, 1]);
2398        for i in 0..5 {
2399            assert_eq!(full[[i, 0, 0]], w[i]);
2400            let mut buf = [0.0_f64; 1];
2401            hess.fill_row(i, &mut buf);
2402            assert_eq!(buf[0], w[i]);
2403        }
2404    }
2405
2406    /// §10 test #8: predict-path roundtrip. With the parametric setting,
2407    /// the row-application of `(C(x)·V − A(x)·M)` at training rows must
2408    /// equal the in-metric residual computed during `compile`.
2409    #[test]
2410    fn compiler_predict_path_roundtrip() {
2411        let n = 24;
2412        let a = Array2::from_shape_fn((n, 2), |(i, j)| (i as f64 * 0.21).cos() + j as f64);
2413        let b = Array2::from_shape_fn((n, 2), |(i, j)| {
2414            0.3 * a[[i, 0]] + (i as f64 + j as f64).sqrt()
2415        });
2416        let hess = IdentityRowHessian::new(n, 1);
2417        let ops = vec![op(a.clone()), op(b.clone())];
2418        let compiled = compile(&ops, &hess, &[BlockOrder::Marginal, BlockOrder::Logslope])
2419            .expect("compile should succeed");
2420        let v_b = &compiled.blocks[1].t_lw;
2421        let m_b = compiled.blocks[1].anchor_correction.as_ref().unwrap();
2422        // Training-time residual: B · V − A · M.
2423        let predict_design = b.dot(v_b) - a.dot(m_b);
2424        // Compare to the algebraic in-metric residual: same expression
2425        // (identity row Hessian collapses sqrt(H) = I), so this is a
2426        // self-consistency / shape check ensuring V and M compose to the
2427        // promised predict-time operator.
2428        assert_eq!(predict_design.nrows(), n);
2429        assert_eq!(predict_design.ncols(), v_b.ncols());
2430        // Finite-value gate.
2431        for &val in predict_design.iter() {
2432            assert!(val.is_finite(), "predict design produced non-finite entry");
2433        }
2434    }
2435
2436    /// `r_lw` and `anchor_correction` are populated on every non-first
2437    /// block as `M_b · V_b` at compiled width. The first block carries
2438    /// `None`. Also verifies the H-orthogonality invariant that the
2439    /// cumulative anchor for the next iteration is orthogonal (in the row
2440    /// metric) to the prior block's design.
2441    #[test]
2442    fn compile_exposes_r_lw_equal_to_m_dot_v() {
2443        let n = 40;
2444        let a = Array2::from_shape_fn((n, 2), |(i, j)| (i as f64 * 0.17 + j as f64).sin());
2445        // B partially aliases A's first column, so anchor correction is non-trivial.
2446        let b = Array2::from_shape_fn((n, 2), |(i, j)| {
2447            0.6 * a[[i, 0]] + ((i as f64) * 0.11 + j as f64).cos()
2448        });
2449        let hess = IdentityRowHessian::new(n, 1);
2450        let ops = vec![op(a.clone()), op(b.clone())];
2451        let compiled = compile(&ops, &hess, &[BlockOrder::Marginal, BlockOrder::Logslope])
2452            .expect("compile should succeed");
2453
2454        // First block: no anchor → both fields None.
2455        assert!(compiled.blocks[0].r_lw.is_none());
2456        assert!(compiled.blocks[0].anchor_correction.is_none());
2457
2458        // Second block: r_lw and anchor_correction must both equal M·V at
2459        // compiled width (p_a_kept × p_b_kept).
2460        let v_a = &compiled.blocks[0].t_lw;
2461        let v_b = &compiled.blocks[1].t_lw;
2462        let m_compiled = compiled.blocks[1]
2463            .anchor_correction
2464            .as_ref()
2465            .expect("second block must carry an anchor correction");
2466        let r_lw = compiled.blocks[1]
2467            .r_lw
2468            .as_ref()
2469            .expect("second block must expose r_lw");
2470        let p_a_kept = v_a.ncols();
2471        let p_b_kept = v_b.ncols();
2472        assert_eq!(
2473            m_compiled.dim(),
2474            (p_a_kept, p_b_kept),
2475            "anchor_correction must be at compiled width"
2476        );
2477        assert_eq!(r_lw.dim(), (p_a_kept, p_b_kept));
2478        // r_lw and anchor_correction are synonymous.
2479        let diff = r_lw - m_compiled;
2480        let max_diff = diff.iter().fold(0.0_f64, |acc, &x| acc.max(x.abs()));
2481        assert!(
2482            max_diff == 0.0,
2483            "r_lw and anchor_correction must be identical"
2484        );
2485
2486        // H-orthogonality (identity row metric): the residualised
2487        // compiled B-design `B·V − A·(M·V)` must be orthogonal to A in
2488        // the column-inner-product sense. This validates that the
2489        // cumulative anchor build uses `(W_b − A·M)·V` rather than `W_b·V`.
2490        let b_compiled = b.dot(v_b) - a.dot(m_compiled);
2491        let cross = a.t().dot(&b_compiled);
2492        let max_cross = cross.iter().fold(0.0_f64, |acc, &x| acc.max(x.abs()));
2493        assert!(
2494            max_cross < 1e-10,
2495            "compiled B-design must be H-orthogonal to A: max cross = {max_cross:e}"
2496        );
2497    }
2498
2499    /// `K=4` dense row Hessian: per-row PSD matrix supplied directly.
2500    struct DenseRowHessian {
2501        h: Array3<f64>,
2502    }
2503
2504    impl RowHessian for DenseRowHessian {
2505        fn k(&self) -> usize {
2506            self.h.shape()[1]
2507        }
2508        fn nrows(&self) -> usize {
2509            self.h.shape()[0]
2510        }
2511        fn fill_row(&self, row: usize, out: &mut [f64]) {
2512            let k = self.k();
2513            assert_eq!(out.len(), k * k);
2514            for c in 0..k {
2515                for d in 0..k {
2516                    out[c * k + d] = self.h[[row, c, d]];
2517                }
2518            }
2519        }
2520        fn evaluate_full(&self) -> Array3<f64> {
2521            self.h.clone()
2522        }
2523    }
2524
2525    /// Reference W-based Gram for verification: build `W = sqrt(H) · J` then
2526    /// return `Wᵀ W`. Mirrors the in-walk path in [`compile`].
2527    fn reference_gram_from_w(j_full: &Array3<f64>, h_full: &Array3<f64>) -> Array2<f64> {
2528        let w = scale_block_by_sqrt_h(j_full, h_full);
2529        fast_ata(&w)
2530    }
2531
2532    /// Two-block toy at K=4: build per-channel (n × p_b) blocks and verify
2533    /// the closed-form Gram matches the reference W-based Gram.
2534    #[test]
2535    fn closed_form_gram_matches_reference_two_block_k4() {
2536        let n = 17;
2537        let k = 4;
2538        let p_a = 3;
2539        let p_b = 2;
2540
2541        // Random-ish per-channel design matrices for each block.
2542        let make_block = |seed: f64, n: usize, p: usize| -> Vec<Option<Array2<f64>>> {
2543            (0..4)
2544                .map(|c| {
2545                    let m = Array2::from_shape_fn((n, p), |(i, j)| {
2546                        ((i as f64 + 1.0) * (j as f64 + 1.0) * (c as f64 + 1.0) + seed).sin()
2547                    });
2548                    Some(m)
2549                })
2550                .collect()
2551        };
2552        let block_a = make_block(0.3, n, p_a);
2553        let block_b = make_block(1.1, n, p_b);
2554
2555        // Per-row PSD H: random symmetric PSD via Mᵀ M.
2556        let h = Array3::from_shape_fn((n, k, k), |(i, c, d)| {
2557            let mut acc = 0.0;
2558            for r in 0..k {
2559                let mc = ((i + 1) as f64 * (c + 1) as f64 * (r + 1) as f64 * 0.13).cos();
2560                let md = ((i + 1) as f64 * (d + 1) as f64 * (r + 1) as f64 * 0.13).cos();
2561                acc += mc * md;
2562            }
2563            acc + if c == d { 0.5 } else { 0.0 }
2564        });
2565        let row_hess = DenseRowHessian { h: h.clone() };
2566
2567        let channel_blocks = PrimaryChannelBlocks {
2568            blocks: vec![block_a.clone(), block_b.clone()],
2569        };
2570        let raw_ranges = vec![0..p_a, p_a..(p_a + p_b)];
2571
2572        let gram = build_raw_grams_from_channel_blocks(&channel_blocks, &row_hess, &raw_ranges)
2573            .expect("closed-form Gram should succeed");
2574
2575        // Reference: assemble full row Jacobian J as (n × p_total × K) by
2576        // placing per-block, per-channel slices at the right columns.
2577        let p_total = p_a + p_b;
2578        let mut j_full = Array3::<f64>::zeros((n, p_total, k));
2579        for c in 0..k {
2580            if let Some(xa) = block_a[c].as_ref() {
2581                for i in 0..n {
2582                    for j in 0..p_a {
2583                        j_full[[i, j, c]] = xa[[i, j]];
2584                    }
2585                }
2586            }
2587            if let Some(xb) = block_b[c].as_ref() {
2588                for i in 0..n {
2589                    for j in 0..p_b {
2590                        j_full[[i, p_a + j, c]] = xb[[i, j]];
2591                    }
2592                }
2593            }
2594        }
2595        let ref_gram = reference_gram_from_w(&j_full, &h);
2596
2597        let diff = &gram - &ref_gram;
2598        let max_err = diff.iter().fold(0.0_f64, |acc, &v| acc.max(v.abs()));
2599        let scale = ref_gram.iter().fold(0.0_f64, |acc, &v| acc.max(v.abs()));
2600        assert!(
2601            max_err < 1e-9 * scale.max(1.0),
2602            "closed-form Gram mismatches reference: max_err={max_err:e}, scale={scale:e}"
2603        );
2604
2605        // Symmetry of the result.
2606        for i in 0..p_total {
2607            for j in 0..p_total {
2608                assert!(
2609                    (gram[[i, j]] - gram[[j, i]]).abs() < 1e-12,
2610                    "closed-form Gram not symmetric at ({i},{j})"
2611                );
2612            }
2613        }
2614    }
2615
2616    /// Channel sparsity test: block A contributes only to channel 0, block B
2617    /// only to channel 3. Cross-block contribution must be exactly
2618    /// `(X_A^(0))ᵀ · diag(h_{03}) · X_B^(3)` — zero when `h_03 ≡ 0`,
2619    /// non-zero otherwise.
2620    #[test]
2621    fn closed_form_gram_channel_sparsity() {
2622        let n = 13;
2623        let k = 4;
2624        let p_a = 2;
2625        let p_b = 2;
2626
2627        let xa = Array2::from_shape_fn((n, p_a), |(i, j)| ((i + 1) as f64 * 0.21 + j as f64).cos());
2628        let xb = Array2::from_shape_fn((n, p_b), |(i, j)| {
2629            ((i + 1) as f64 * 0.17 + j as f64).sin() + 0.5
2630        });
2631
2632        let block_a: Vec<Option<Array2<f64>>> = vec![Some(xa.clone()), None, None, None];
2633        let block_b: Vec<Option<Array2<f64>>> = vec![None, None, None, Some(xb.clone())];
2634
2635        // Case 1: H with non-zero h_{03} (and h_{30}). The cross-block
2636        // (A, B) entries must equal `Xaᵀ · diag(h_03) · Xb`.
2637        let h_03_vec = Array1::from_shape_fn(n, |i| 0.7 + 0.3 * ((i as f64) * 0.4).sin());
2638        let h = Array3::from_shape_fn((n, k, k), |(i, c, d)| {
2639            // Symmetric: only the (0,3)/(3,0) off-diagonal carries weight,
2640            // plus a strong PSD diagonal so per-row H is PSD.
2641            if (c, d) == (0, 3) || (c, d) == (3, 0) {
2642                h_03_vec[i]
2643            } else if c == d {
2644                2.0
2645            } else {
2646                0.0
2647            }
2648        });
2649        let row_hess = DenseRowHessian { h: h.clone() };
2650
2651        let channel_blocks = PrimaryChannelBlocks {
2652            blocks: vec![block_a.clone(), block_b.clone()],
2653        };
2654        let raw_ranges = vec![0..p_a, p_a..(p_a + p_b)];
2655        let gram = build_raw_grams_from_channel_blocks(&channel_blocks, &row_hess, &raw_ranges)
2656            .expect("closed-form Gram should succeed");
2657
2658        // Cross-block submatrix.
2659        let cross = gram.slice(s![0..p_a, p_a..(p_a + p_b)]).to_owned();
2660        // Expected: only the (c=0, d=3) channel-pair survives.
2661        let expected = fast_xt_diag_y(&xa, &h_03_vec, &xb);
2662        let diff = &cross - &expected;
2663        let max_err = diff.iter().fold(0.0_f64, |acc, &v| acc.max(v.abs()));
2664        assert!(
2665            max_err < 1e-12,
2666            "cross-block Gram must equal Xaᵀ·diag(h_03)·Xb: max_err={max_err:e}"
2667        );
2668
2669        // Case 2: zero out h_{03} → cross-block must be zero.
2670        let h_zero = Array3::from_shape_fn((n, k, k), |(_, c, d)| if c == d { 2.0 } else { 0.0 });
2671        let row_hess_zero = DenseRowHessian { h: h_zero };
2672        let gram_zero =
2673            build_raw_grams_from_channel_blocks(&channel_blocks, &row_hess_zero, &raw_ranges)
2674                .expect("closed-form Gram should succeed");
2675        let cross_zero = gram_zero.slice(s![0..p_a, p_a..(p_a + p_b)]);
2676        let max_zero = cross_zero.iter().fold(0.0_f64, |acc, &v| acc.max(v.abs()));
2677        assert!(
2678            max_zero < 1e-12,
2679            "cross-block Gram must vanish when coupling channel pair is zero: got {max_zero:e}"
2680        );
2681    }
2682
2683    /// Structural Gram: identity per-row Hessian collapses the channel-pair
2684    /// sum to within-channel `XᵀX`. Validates [`build_raw_grams_structural`].
2685    #[test]
2686    fn structural_gram_matches_within_channel_sum() {
2687        let n = 11;
2688        let p_a = 2;
2689        let p_b = 3;
2690        let make_block = |seed: f64, n: usize, p: usize| -> Vec<Option<Array2<f64>>> {
2691            (0..4)
2692                .map(|c| {
2693                    if c == 1 {
2694                        // Sparse channel for variety.
2695                        return None;
2696                    }
2697                    Some(Array2::from_shape_fn((n, p), |(i, j)| {
2698                        ((i as f64 + 1.0) * (j as f64 + 1.0) + seed * (c as f64 + 1.0)).sin()
2699                    }))
2700                })
2701                .collect()
2702        };
2703        let block_a = make_block(0.1, n, p_a);
2704        let block_b = make_block(0.7, n, p_b);
2705        let channel_blocks = PrimaryChannelBlocks {
2706            blocks: vec![block_a.clone(), block_b.clone()],
2707        };
2708        let raw_ranges = vec![0..p_a, p_a..(p_a + p_b)];
2709        let gram = build_raw_grams_structural(&channel_blocks, &raw_ranges);
2710
2711        // Hand-compute cross block: Σ_c Xaᵀ Xb over channels where both
2712        // sides are present (skipping channel 1 entirely).
2713        let mut expected_cross = Array2::<f64>::zeros((p_a, p_b));
2714        for c in 0..4 {
2715            if let (Some(xa), Some(xb)) = (block_a[c].as_ref(), block_b[c].as_ref()) {
2716                expected_cross += &fast_atb(xa, xb);
2717            }
2718        }
2719        let cross = gram.slice(s![0..p_a, p_a..(p_a + p_b)]).to_owned();
2720        let diff = &cross - &expected_cross;
2721        let max_err = diff.iter().fold(0.0_f64, |acc, &v| acc.max(v.abs()));
2722        assert!(
2723            max_err < 1e-12,
2724            "structural cross-block must equal Σ_c Xaᵀ·Xb: max_err={max_err:e}"
2725        );
2726
2727        // Symmetry.
2728        for i in 0..(p_a + p_b) {
2729            for j in 0..(p_a + p_b) {
2730                assert!(
2731                    (gram[[i, j]] - gram[[j, i]]).abs() < 1e-12,
2732                    "structural Gram not symmetric at ({i},{j})"
2733                );
2734            }
2735        }
2736    }
2737
2738    // Per-row Hessian (K=1) sourced from an arbitrary positive vector —
2739    // used by the dual-metric sanity test to drive both structural and
2740    // curvature passes with the *same* non-identity weights.
2741    fn diag_hess(w: Array1<f64>) -> DiagonalScalarRowHessian {
2742        DiagonalScalarRowHessian::new(w)
2743    }
2744
2745    /// L#1: dual-metric with structural = curvature reproduces single-metric
2746    /// `compile()` exactly. The two passes degenerate to one because the
2747    /// structural-anchor and curvature-anchor are the same matrix.
2748    #[test]
2749    fn dual_metric_with_equal_metrics_matches_single_metric() {
2750        let n = 36;
2751        let a = Array2::from_shape_fn((n, 2), |(i, j)| (i as f64 * 0.13 + j as f64).sin());
2752        // B partially aliases A's first column.
2753        let b = Array2::from_shape_fn((n, 2), |(i, j)| {
2754            0.4 * a[[i, 0]] + (i as f64 * 0.07 + j as f64).cos()
2755        });
2756        let w = Array1::from_shape_fn(n, |i| 0.5 + (i as f64 * 0.17).sin().abs());
2757        let curvature = diag_hess(w.clone());
2758        let ordering = [BlockOrder::Marginal, BlockOrder::Logslope];
2759
2760        let ops_single = vec![op(a.clone()), op(b.clone())];
2761        let single = compile(&ops_single, &curvature, &ordering)
2762            .expect("single-metric compile should succeed");
2763
2764        // Dual-metric with structural = curvature (same `RowHessian` on both
2765        // sides). The structural pass collapses to the curvature pass.
2766        let structural_same = diag_hess(w.clone());
2767        let ops_dual = vec![op(a.clone()), op(b.clone())];
2768        let dual = compile_with_dual_metric(&ops_dual, &curvature, &structural_same, &ordering)
2769            .expect("dual-metric compile should succeed");
2770
2771        assert_eq!(single.blocks.len(), dual.blocks.len());
2772        for (idx, (sb, db)) in single.blocks.iter().zip(dual.blocks.iter()).enumerate() {
2773            assert_eq!(sb.t_lw.dim(), db.t_lw.dim(), "block {idx}: V dims differ");
2774            let max_v = (&sb.t_lw - &db.t_lw)
2775                .iter()
2776                .fold(0.0_f64, |acc, &v| acc.max(v.abs()));
2777            assert!(max_v < 1e-10, "block {idx}: V mismatch {max_v:e}");
2778            match (sb.anchor_correction.as_ref(), db.anchor_correction.as_ref()) {
2779                (None, None) => {}
2780                (Some(s), Some(d)) => {
2781                    assert_eq!(s.dim(), d.dim());
2782                    let max_m = (s - d).iter().fold(0.0_f64, |acc, &v| acc.max(v.abs()));
2783                    assert!(max_m < 1e-10, "block {idx}: M mismatch {max_m:e}");
2784                }
2785                _ => panic!("block {idx}: one side has anchor correction, the other does not"),
2786            }
2787        }
2788        assert_eq!(single.joint_rank, dual.joint_rank);
2789    }
2790
2791    /// L#2: the pilot-curvature trap. A 2-block toy where the pilot
2792    /// curvature `H` has a zero direction that is NOT a real gauge — the
2793    /// dual-metric path keeps it (identity-structural sees it as a full-
2794    /// rank structural direction), while a single-metric path through the
2795    /// same H would drop it.
2796    ///
2797    /// Construction: two K=1 blocks `A` (n × 1) and `B` (n × 1). Choose H
2798    /// (diagonal row weights) so that `H · B` happens to be a scalar
2799    /// multiple of `H · A` (curvature alias) but `B` is *not* a scalar
2800    /// multiple of `A` in the unweighted metric. Specifically, pick rows
2801    /// where `w_i` is non-zero only on a handful of rows where A and B
2802    /// happen to be proportional, and zero on the rows where they differ.
2803    /// Under identity-structural this is structurally-independent; under H
2804    /// it is a (spurious) curvature alias.
2805    #[test]
2806    fn dual_metric_resists_pilot_curvature_alias() {
2807        let n = 12;
2808        // A: x_i = i+1 (no zeros). B: equals 2·A on rows 0..6 only; the
2809        // remaining rows are uncorrelated (linear vs trigonometric).
2810        let a = Array2::from_shape_fn((n, 1), |(i, _)| (i as f64) + 1.0);
2811        let b = Array2::from_shape_fn((n, 1), |(i, _)| {
2812            if i < 6 {
2813                2.0 * a[[i, 0]]
2814            } else {
2815                ((i as f64) * 0.3).cos() + 0.5
2816            }
2817        });
2818
2819        // Curvature weights are non-zero ONLY on the rows where B == 2A.
2820        // Under curvature metric, B is exactly 2·A → curvature-rank drops
2821        // B fully. Under identity-structural, B is independent of A across
2822        // all rows → structural-rank is 1 (kept).
2823        let mut w_vec = vec![0.0_f64; n];
2824        for w in &mut w_vec[..6] {
2825            *w = 1.0;
2826        }
2827        let w = Array1::from(w_vec);
2828        let curvature = diag_hess(w.clone());
2829
2830        // Reference single-metric compile (uses identity by `compile()` —
2831        // which now routes through identity-structural). For this test we
2832        // explicitly invoke the dual-metric API both ways.
2833        let id_struct = IdentityRowHessian::new(n, 1);
2834        let ordering = [BlockOrder::Marginal, BlockOrder::Logslope];
2835
2836        // Path 1: dual-metric with identity-structural (the new default).
2837        // Structural pass: B is independent of A across all rows → keep
2838        // B's single column.
2839        let ops_dual = vec![op(a.clone()), op(b.clone())];
2840        let dual = compile_with_dual_metric(&ops_dual, &curvature, &id_struct, &ordering);
2841
2842        // Path 2: dual-metric with structural = curvature (the "H decides
2843        // everything" trap). On the curvature-only rows, B ≡ 2A, so
2844        // structural pass sees zero residual span and rejects the block.
2845        let ops_h_only = vec![op(a.clone()), op(b.clone())];
2846        let h_only = compile_with_dual_metric(&ops_h_only, &curvature, &curvature, &ordering);
2847
2848        // The H-only path must fail (FullyAliased) or strip B's column.
2849        // The dual (identity-structural) path must keep B.
2850        match h_only {
2851            Err(CompilerError::FullyAliased { block_idx, .. }) => {
2852                assert_eq!(block_idx, 1, "H-only path must alias block 1");
2853            }
2854            Ok(out) => {
2855                // If the H-only path somehow compiled, it must have
2856                // either dropped B's column to zero width or audited it
2857                // out. Either way B's V must be empty after the audit
2858                // attributes the drop.
2859                let v1_cols = out.blocks[1].t_lw.ncols();
2860                assert!(
2861                    v1_cols == 0 || !out.dropped.is_empty(),
2862                    "H-only path should reject B's curvature-aliased column; v1_cols={v1_cols}, dropped={dropped:?}",
2863                    dropped = out.dropped,
2864                );
2865            }
2866            Err(other) => panic!("unexpected H-only error: {other:?}"),
2867        }
2868
2869        let dual =
2870            dual.expect("dual-metric must succeed: identity-structural sees B as independent");
2871        // The dual path may still drop B's column at the joint audit step
2872        // because the joint H-scaled design is rank-1 (only the first
2873        // block contributes non-zero rows under the curvature weights).
2874        // What matters is that the *structural* decision did NOT drop B
2875        // — verified by the structural pass not raising FullyAliased and
2876        // by B's `t_lw` having the full structural width before the audit
2877        // demotes it. After audit, B's V may shrink because the curvature
2878        // joint design is rank-deficient, and that is expected.
2879        assert_eq!(dual.blocks.len(), 2);
2880        assert_eq!(dual.blocks[0].t_lw.ncols(), 1, "A must keep its column");
2881        // Block 1 either keeps its structural rank-1 column or is audited
2882        // away by the joint H-rank check, but in either case the per-block
2883        // pre-audit width must reflect that the structural pass kept the
2884        // column (i.e. the function did not return FullyAliased).
2885        let v1_post_audit = dual.blocks[1].t_lw.ncols();
2886        let dropped_count = dual.dropped.len();
2887        assert_eq!(
2888            v1_post_audit + dropped_count,
2889            1,
2890            "structural pass kept B's column; audit may demote it but the pre-audit width was 1"
2891        );
2892    }
2893
2894    /// L#3: identity-structural lets the compiler keep a direction even
2895    /// when the pilot curvature has reduced rank. This is the same
2896    /// scenario as L#2 but with a curvature `H` whose row weights are all
2897    /// strictly positive — so the *only* aliasing source is the structural
2898    /// pass deciding to keep or drop. The dual-metric path with non-trivial
2899    /// `H` and identity-structural must agree with the dual-metric path
2900    /// with identity on both sides whenever the blocks are structurally
2901    /// non-aliased.
2902    #[test]
2903    fn dual_metric_identity_structural_preserves_full_rank() {
2904        let n = 24;
2905        let a = Array2::from_shape_fn((n, 2), |(i, j)| ((i + 1) as f64 + j as f64).sqrt());
2906        let b = Array2::from_shape_fn((n, 2), |(i, j)| {
2907            ((i + 1) as f64).ln() + (i as f64 * 0.1 + j as f64).cos()
2908        });
2909        let w = Array1::from_shape_fn(n, |i| 0.4 + (i as f64 * 0.05).sin().powi(2));
2910        let curvature = diag_hess(w.clone());
2911        let id_struct = IdentityRowHessian::new(n, 1);
2912        let ordering = [BlockOrder::Marginal, BlockOrder::Logslope];
2913
2914        let ops = vec![op(a.clone()), op(b.clone())];
2915        let out =
2916            compile_with_dual_metric(&ops, &curvature, &id_struct, &ordering).expect("compile");
2917        // Both blocks structurally independent → both keep full width.
2918        assert_eq!(out.blocks[0].t_lw.ncols(), 2);
2919        assert_eq!(out.blocks[1].t_lw.ncols(), 2);
2920        assert_eq!(out.dropped.len(), 0);
2921        assert_eq!(out.joint_rank, 4);
2922    }
2923
2924    /// Smoke test for the GPU-or-CPU dispatch helper. On non-CUDA hosts
2925    /// (or when the runtime is unavailable) the helper falls back to the
2926    /// CPU closed-form builders; the result must match the CPU builders
2927    /// called directly. When a CUDA runtime is live, parity vs. CPU is
2928    /// verified to tight tolerance.
2929    #[test]
2930    fn build_primary_grams_gpu_or_cpu_two_block_k4_matches_cpu() {
2931        let n = 11;
2932        let k = 4;
2933        let p_a = 2;
2934        let p_b = 3;
2935
2936        let make_block = |seed: f64, n: usize, p: usize| -> Vec<Option<Array2<f64>>> {
2937            (0..4)
2938                .map(|c| {
2939                    let m = Array2::from_shape_fn((n, p), |(i, j)| {
2940                        ((i as f64 + 1.0) * (j as f64 + 1.0) * (c as f64 + 1.0) + seed).sin()
2941                    });
2942                    Some(m)
2943                })
2944                .collect()
2945        };
2946        let block_a = make_block(0.7, n, p_a);
2947        let block_b = make_block(-0.4, n, p_b);
2948
2949        let h = Array3::from_shape_fn((n, k, k), |(i, c, d)| {
2950            let mut acc = 0.0;
2951            for r in 0..k {
2952                let mc = ((i + 1) as f64 * (c + 1) as f64 * (r + 1) as f64 * 0.11).cos();
2953                let md = ((i + 1) as f64 * (d + 1) as f64 * (r + 1) as f64 * 0.11).cos();
2954                acc += mc * md;
2955            }
2956            acc + if c == d { 0.25 } else { 0.0 }
2957        });
2958        let row_hess = DenseRowHessian { h: h.clone() };
2959
2960        let channel_blocks = PrimaryChannelBlocks {
2961            blocks: vec![block_a, block_b],
2962        };
2963        let raw_ranges = vec![0..p_a, p_a..(p_a + p_b)];
2964
2965        let (gram_h, gram_struct) =
2966            build_primary_grams_gpu_or_cpu(&channel_blocks, &row_hess, &raw_ranges)
2967                .expect("dispatch helper should succeed");
2968
2969        let cpu_h = build_raw_grams_from_channel_blocks(&channel_blocks, &row_hess, &raw_ranges)
2970            .expect("CPU curvature Gram should succeed");
2971        let cpu_s = build_raw_grams_structural(&channel_blocks, &raw_ranges);
2972
2973        let tol = 1e-9_f64;
2974        for idx in cpu_h.indexed_iter().map(|(i, _)| i) {
2975            let diff = (gram_h[idx] - cpu_h[idx]).abs();
2976            let scale = cpu_h[idx].abs().max(1.0);
2977            assert!(
2978                diff <= tol * scale,
2979                "gram_h mismatch at {idx:?}: helper={} cpu={}",
2980                gram_h[idx],
2981                cpu_h[idx]
2982            );
2983        }
2984        for idx in cpu_s.indexed_iter().map(|(i, _)| i) {
2985            let diff = (gram_struct[idx] - cpu_s[idx]).abs();
2986            let scale = cpu_s[idx].abs().max(1.0);
2987            assert!(
2988                diff <= tol * scale,
2989                "gram_struct mismatch at {idx:?}: helper={} cpu={}",
2990                gram_struct[idx],
2991                cpu_s[idx]
2992            );
2993        }
2994    }
2995
2996    // ---- compile_from_raw_grams tests ----
2997
2998    /// Build (gram_h, gram_struct) for a K=1 scalar two-block toy via the
2999    /// per-block channel-block builders. Used by the closed-form tests
3000    /// below.
3001    fn scalar_grams_two_block(
3002        a: &Array2<f64>,
3003        b: &Array2<f64>,
3004        w: &Array1<f64>,
3005    ) -> (Array2<f64>, Array2<f64>, Vec<std::ops::Range<usize>>) {
3006        let p_a = a.ncols();
3007        let p_b = b.ncols();
3008        let raw_ranges = vec![0..p_a, p_a..(p_a + p_b)];
3009        let channel_blocks = PrimaryChannelBlocks {
3010            blocks: vec![vec![Some(a.clone())], vec![Some(b.clone())]],
3011        };
3012        let row_hess = DiagonalScalarRowHessian::new(w.clone());
3013        let gram_h =
3014            build_raw_grams_from_channel_blocks(&channel_blocks, &row_hess, &raw_ranges).unwrap();
3015        let gram_struct = build_raw_grams_structural(&channel_blocks, &raw_ranges);
3016        (gram_h, gram_struct, raw_ranges)
3017    }
3018
3019    /// Block B is a column-duplicate of block A in the structural metric
3020    /// → the lower-priority block compiles to zero width instead of making
3021    /// callers skip reduced-coordinate construction.
3022    #[test]
3023    fn compile_from_raw_grams_full_structural_alias() {
3024        let n = 10;
3025        let a = Array2::from_shape_fn((n, 2), |(i, j)| ((i + 1) as f64 * (j + 1) as f64).sin());
3026        // Block B = A · L for some 2×2 invertible L → same column span.
3027        let l = Array2::from_shape_vec((2, 2), vec![1.0, 0.5, -0.25, 1.0]).unwrap();
3028        let b = a.dot(&l);
3029        let w = Array1::ones(n);
3030        let (gram_h, gram_struct, raw_ranges) = scalar_grams_two_block(&a, &b, &w);
3031        let res = compile_from_raw_grams(
3032            &gram_h,
3033            &gram_struct,
3034            &raw_ranges,
3035            &[BlockOrder::Marginal, BlockOrder::Logslope],
3036        )
3037        .expect("lower-priority full alias should compile to zero width");
3038        assert_eq!(res.compiled_block_ranges[0].len(), 2);
3039        assert_eq!(res.compiled_block_ranges[1].len(), 0);
3040        assert_eq!(res.raw_from_compiled.dim(), (4, 2));
3041        assert!(
3042            res.raw_from_compiled
3043                .slice(s![raw_ranges[1].clone(), ..])
3044                .iter()
3045                .all(|v| v.abs() <= 1.0e-12),
3046            "zero-width block must not retain raw coefficient directions in T"
3047        );
3048    }
3049
3050    /// A zero-width *first* block has no columns to alias and must compile to
3051    /// an empty range with the remaining blocks intact — not abort with
3052    /// `FullyAliased`. Regression for the survival location-scale lognormal AFT
3053    /// pre-fit channel-aware audit, whose `time_transform` block collapses to
3054    /// zero free coefficients under the parametric AFT reduction and previously
3055    /// crashed the fit ("block of width 0 has zero structural span").
3056    #[test]
3057    fn compile_from_raw_grams_zero_width_first_block_is_identifiable() {
3058        let n = 12;
3059        let empty = Array2::<f64>::zeros((n, 0));
3060        let b = Array2::from_shape_fn((n, 2), |(i, j)| {
3061            ((i + 1) as f64 * (j + 1) as f64 * 0.23).cos()
3062        });
3063        let w = Array1::ones(n);
3064        let (gram_h, gram_struct, raw_ranges) = scalar_grams_two_block(&empty, &b, &w);
3065        let map = compile_from_raw_grams(
3066            &gram_h,
3067            &gram_struct,
3068            &raw_ranges,
3069            &[BlockOrder::Marginal, BlockOrder::Logslope],
3070        )
3071        .expect("zero-width first block must be trivially identifiable, not FullyAliased");
3072        assert_eq!(
3073            map.compiled_block_ranges[0].len(),
3074            0,
3075            "empty first block keeps zero columns"
3076        );
3077        assert_eq!(
3078            map.compiled_block_ranges[1].len(),
3079            2,
3080            "the second block keeps its full structural rank"
3081        );
3082        assert_eq!(map.raw_from_compiled.dim(), (2, 2));
3083    }
3084
3085    /// A `protected` first block keeps every raw column even when it is
3086    /// internally rank-deficient (a duplicate-column structural null that the
3087    /// unprotected path drops), and later blocks still reduce against the full
3088    /// raw anchor. Regression for the survival marginal-slope monotone
3089    /// time-wiggle time block: its chain-rule Jacobian recomputes a fixed
3090    /// `p_tw`-column wiggle basis on every evaluation, so a reduced (`p_time <
3091    /// p_tw`) time design made that Jacobian write past its buffer — an
3092    /// out-of-bounds panic in the phase-4b compiled-map path.
3093    #[test]
3094    fn compile_from_raw_grams_protected_keeps_full_rank_deficient_first_block() {
3095        let n = 14;
3096        // Block A (first, highest priority): two IDENTICAL columns → structural
3097        // rank 1, i.e. one within-block null direction the unprotected filter
3098        // drops. Stands in for the wiggle time block whose raw width must be
3099        // preserved.
3100        // Column value depends only on the row → both columns are identical.
3101        let a = Array2::from_shape_fn((n, 2), |(i, _)| ((i + 1) as f64 * 0.37).sin());
3102        // Block B: genuinely independent, so it survives at full width.
3103        let b = Array2::from_shape_fn((n, 2), |(i, j)| {
3104            ((i + 1) as f64 * (0.29 + j as f64 * 0.11)).cos()
3105        });
3106        let w = Array1::ones(n);
3107        let (gram_h, gram_struct, raw_ranges) = scalar_grams_two_block(&a, &b, &w);
3108        let ordering = [BlockOrder::Time, BlockOrder::Marginal];
3109
3110        // Unprotected: the duplicate column is dropped → block 0 reduces to 1.
3111        let unprotected = compile_from_raw_grams(&gram_h, &gram_struct, &raw_ranges, &ordering)
3112            .expect("unprotected compile");
3113        assert_eq!(
3114            unprotected.compiled_block_ranges[0].len(),
3115            1,
3116            "unprotected first block drops its structural-null direction"
3117        );
3118
3119        // Protected: block 0 keeps both raw columns; T's block-0 diagonal is the
3120        // 2×2 identity (raw coords == compiled coords for the protected block).
3121        let protected = compile_from_raw_grams_protected(
3122            &gram_h,
3123            &gram_struct,
3124            &raw_ranges,
3125            &ordering,
3126            &[true, false],
3127        )
3128        .expect("protected compile");
3129        assert_eq!(
3130            protected.compiled_block_ranges[0].len(),
3131            2,
3132            "protected first block retains its full raw width"
3133        );
3134        let t_block0 = protected
3135            .raw_from_compiled
3136            .slice(s![0..2, protected.compiled_block_ranges[0].clone()])
3137            .to_owned();
3138        for i in 0..2 {
3139            for j in 0..2 {
3140                let expect = if i == j { 1.0 } else { 0.0 };
3141                assert!(
3142                    (t_block0[[i, j]] - expect).abs() <= 1e-12,
3143                    "protected first block map must be identity, got [{i},{j}]={}",
3144                    t_block0[[i, j]]
3145                );
3146            }
3147        }
3148    }
3149
3150    #[test]
3151    fn orthogonalization_annotates_independent_and_fully_absorbed_blocks() {
3152        let n = 18;
3153        let anchor = Array2::from_shape_fn((n, 2), |(i, j)| {
3154            ((i + 1) as f64 * (0.19 + j as f64 * 0.07)).sin()
3155        });
3156        let duplicate = anchor.clone();
3157        let independent = Array2::from_shape_fn((n, 1), |(i, _)| ((i + 1) as f64 * 0.43).cos());
3158        let weight = vec![1.0; n];
3159        let ortho = orthogonalize_design_blocks(
3160            &[anchor, duplicate, independent],
3161            &[200, 100, 50],
3162            &weight,
3163        )
3164        .expect("structural annotation compile");
3165
3166        assert_eq!(
3167            ortho.direction_annotations[0].kind,
3168            PenalizedDirectionAnnotationKind::Independent
3169        );
3170        assert_eq!(ortho.direction_annotations[0].absorbed_width, 0);
3171        assert_eq!(
3172            ortho.direction_annotations[1].kind,
3173            PenalizedDirectionAnnotationKind::FullyAbsorbedByHigherPriority,
3174            "a duplicated lower-priority block is the same realized-design direction"
3175        );
3176        assert_eq!(ortho.direction_annotations[1].raw_width, 2);
3177        assert_eq!(ortho.direction_annotations[1].kept_width, 0);
3178        assert_eq!(ortho.direction_annotations[1].absorbed_width, 2);
3179        assert_eq!(
3180            ortho.direction_annotations[2].kind,
3181            PenalizedDirectionAnnotationKind::Independent,
3182            "a genuinely new realized-design direction keeps its own penalty block"
3183        );
3184        assert_eq!(ortho.direction_annotations[2].raw_width, 1);
3185        assert_eq!(ortho.direction_annotations[2].kept_width, 1);
3186        assert_eq!(ortho.dropped, vec![(1, 2)]);
3187    }
3188
3189    #[test]
3190    fn orthogonalization_rejects_invalid_row_metric_weights() {
3191        let design = Array2::from_shape_fn((4, 1), |(row, _)| row as f64 + 1.0);
3192        for invalid in [-1.0, f64::NAN, f64::INFINITY] {
3193            let result = orthogonalize_design_blocks(
3194                std::slice::from_ref(&design),
3195                &[1],
3196                &[1.0, invalid, 1.0, 1.0],
3197            );
3198            let error = match result {
3199                Err(error) => error,
3200                Ok(_) => panic!("an invalid W-metric must be rejected, not silently clamped"),
3201            };
3202            assert!(
3203                matches!(error, CompilerError::InvalidMetric(_)),
3204                "unexpected error for weight {invalid}: {error}"
3205            );
3206        }
3207    }
3208
3209    #[test]
3210    fn compile_from_raw_grams_three_block_full_logslope_alias_keeps_fast_path() {
3211        let n = 24;
3212        let time = Array2::from_shape_fn((n, 2), |(i, j)| {
3213            ((i + 1) as f64 * (j + 2) as f64 * 0.17).sin()
3214        });
3215        let marginal = Array2::from_shape_fn((n, 1), |(i, _)| ((i + 3) as f64 * 0.11).cos());
3216        let logslope = marginal.clone();
3217        let p_time = time.ncols();
3218        let p_marg = marginal.ncols();
3219        let p_log = logslope.ncols();
3220        let raw_ranges = vec![
3221            0..p_time,
3222            p_time..(p_time + p_marg),
3223            (p_time + p_marg)..(p_time + p_marg + p_log),
3224        ];
3225        let channel_blocks = PrimaryChannelBlocks {
3226            blocks: vec![
3227                vec![Some(time.clone())],
3228                vec![Some(marginal.clone())],
3229                vec![Some(logslope.clone())],
3230            ],
3231        };
3232        let row_hess = DiagonalScalarRowHessian::new(Array1::ones(n));
3233        let gram_h =
3234            build_raw_grams_from_channel_blocks(&channel_blocks, &row_hess, &raw_ranges).unwrap();
3235        let gram_struct = build_raw_grams_structural(&channel_blocks, &raw_ranges);
3236
3237        let map = compile_from_raw_grams(
3238            &gram_h,
3239            &gram_struct,
3240            &raw_ranges,
3241            &[BlockOrder::Time, BlockOrder::Marginal, BlockOrder::Logslope],
3242        )
3243        .expect("fully aliased logslope block should not skip the compiled-map path");
3244
3245        assert_eq!(map.compiled_block_ranges[0].len(), p_time);
3246        assert_eq!(map.compiled_block_ranges[1].len(), p_marg);
3247        assert_eq!(map.compiled_block_ranges[2].len(), 0);
3248        assert_eq!(
3249            map.raw_from_compiled.dim(),
3250            (p_time + p_marg + p_log, p_time + p_marg)
3251        );
3252        let x_raw = {
3253            let mut out = Array2::<f64>::zeros((n, p_time + p_marg + p_log));
3254            out.slice_mut(s![.., raw_ranges[0].clone()]).assign(&time);
3255            out.slice_mut(s![.., raw_ranges[1].clone()])
3256                .assign(&marginal);
3257            out.slice_mut(s![.., raw_ranges[2].clone()])
3258                .assign(&logslope);
3259            out
3260        };
3261        let x_compiled = fast_ab(&x_raw, &map.raw_from_compiled);
3262        let rrqr = rrqr_with_permutation(&x_compiled, default_rrqr_rank_alpha()).unwrap();
3263        assert_eq!(rrqr.rank, x_compiled.ncols());
3264    }
3265
3266    /// Partial alias: block B's first column duplicates A; second column is
3267    /// independent. Closed-form `T` must have shape `(p_raw × (p_a + 1))`
3268    /// — block 1's compiled width is exactly the independent direction —
3269    /// and the joint design `X_raw · T` must span the same column space as
3270    /// the W-based reference compile result.
3271    #[test]
3272    fn compile_from_raw_grams_partial_alias_matches_w_reference() {
3273        let n = 25;
3274        let a = Array2::from_shape_fn((n, 2), |(i, j)| {
3275            ((i + 1) as f64 * (j + 1) as f64 * 0.3).sin()
3276        });
3277        // B = [a_0  +  independent]
3278        let mut b = Array2::<f64>::zeros((n, 2));
3279        for i in 0..n {
3280            b[[i, 0]] = a[[i, 0]];
3281            b[[i, 1]] = ((i + 1) as f64 * 0.7).cos();
3282        }
3283        let w = Array1::from_shape_fn(n, |i| 1.0 + 0.1 * (i as f64));
3284        let (gram_h, gram_struct, raw_ranges) = scalar_grams_two_block(&a, &b, &w);
3285        let compiled = compile_from_raw_grams(
3286            &gram_h,
3287            &gram_struct,
3288            &raw_ranges,
3289            &[BlockOrder::Marginal, BlockOrder::Logslope],
3290        )
3291        .expect("closed-form compile must succeed");
3292        let p_a = a.ncols();
3293        let p_b = b.ncols();
3294        assert_eq!(compiled.raw_from_compiled.shape()[0], p_a + p_b);
3295        assert_eq!(
3296            compiled.raw_from_compiled.shape()[1],
3297            p_a + 1,
3298            "partial alias should leave compiled width = p_a + 1 (one column dropped from B)"
3299        );
3300        // Block ranges sum to compiled width.
3301        assert_eq!(compiled.compiled_block_ranges[0], 0..p_a);
3302        assert_eq!(
3303            compiled.compiled_block_ranges[1].end - compiled.compiled_block_ranges[1].start,
3304            1
3305        );
3306
3307        // Column-span equality vs. W-reference: stack the raw design
3308        // X_raw = [A | B] and check that range(X_raw · T) ⊆ range(X_raw)
3309        // and has the same rank as the W-based compile.
3310        let mut x_raw = Array2::<f64>::zeros((n, p_a + p_b));
3311        for i in 0..n {
3312            for j in 0..p_a {
3313                x_raw[[i, j]] = a[[i, j]];
3314            }
3315            for j in 0..p_b {
3316                x_raw[[i, p_a + j]] = b[[i, j]];
3317            }
3318        }
3319        let x_compiled = fast_ab(&x_raw, &compiled.raw_from_compiled);
3320        // Rank of compiled design via Gram eigvals.
3321        let g_compiled = fast_ata(&x_compiled);
3322        let (evals, _) = g_compiled.eigh(Side::Lower).unwrap();
3323        let lam_max = evals.iter().cloned().fold(0.0_f64, f64::max);
3324        let tol = lam_max * 64.0 * (g_compiled.nrows() as f64) * f64::EPSILON;
3325        let rank_compiled = evals.iter().filter(|&&l| l > tol).count();
3326        assert_eq!(
3327            rank_compiled,
3328            p_a + 1,
3329            "compiled design column rank must equal p_a + 1 after dropping the alias"
3330        );
3331
3332        // Reference compile via the W-based dual-metric path on the same
3333        // scalar blocks; compiled total width should also be p_a + 1.
3334        let ops_dual: Vec<Arc<dyn RowJacobianOperator>> = vec![op(a.clone()), op(b.clone())];
3335        let curvature = DiagonalScalarRowHessian::new(w.clone());
3336        let id_struct = IdentityRowHessian::new(n, 1);
3337        let dual = compile_with_dual_metric(
3338            &ops_dual,
3339            &curvature,
3340            &id_struct,
3341            &[BlockOrder::Marginal, BlockOrder::Logslope],
3342        )
3343        .expect("dual metric compile should succeed");
3344        let dual_total: usize = dual.blocks.iter().map(|b| b.t_lw.ncols()).sum();
3345        assert_eq!(dual_total, p_a + 1, "W-reference total width should match");
3346    }
3347
3348    /// Three-block toy: changing the ordering changes the per-block
3349    /// compiled widths (later blocks absorb the alias instead of earlier).
3350    #[test]
3351    fn compile_from_raw_grams_three_block_ordering_matters() {
3352        let n = 30;
3353        let a = Array2::from_shape_fn((n, 2), |(i, j)| {
3354            ((i + 1) as f64 * (j + 2) as f64 * 0.2).sin()
3355        });
3356        // B has 2 cols: col 0 independent, col 1 = a[:, 0]
3357        let mut b = Array2::<f64>::zeros((n, 2));
3358        for i in 0..n {
3359            b[[i, 0]] = ((i + 1) as f64 * 0.4).cos();
3360            b[[i, 1]] = a[[i, 0]];
3361        }
3362        // C has 2 cols: col 0 independent, col 1 = a[:, 1]
3363        let mut c = Array2::<f64>::zeros((n, 2));
3364        for i in 0..n {
3365            c[[i, 0]] = ((i + 1) as f64 * 0.55).sin();
3366            c[[i, 1]] = a[[i, 1]];
3367        }
3368        let w = Array1::ones(n);
3369
3370        let build = |b0: &Array2<f64>, b1: &Array2<f64>, b2: &Array2<f64>| {
3371            let raw_ranges = vec![
3372                0..b0.ncols(),
3373                b0.ncols()..(b0.ncols() + b1.ncols()),
3374                (b0.ncols() + b1.ncols())..(b0.ncols() + b1.ncols() + b2.ncols()),
3375            ];
3376            let channel_blocks = PrimaryChannelBlocks {
3377                blocks: vec![
3378                    vec![Some(b0.clone())],
3379                    vec![Some(b1.clone())],
3380                    vec![Some(b2.clone())],
3381                ],
3382            };
3383            let row_hess = DiagonalScalarRowHessian::new(w.clone());
3384            let gram_h =
3385                build_raw_grams_from_channel_blocks(&channel_blocks, &row_hess, &raw_ranges)
3386                    .unwrap();
3387            let gram_struct = build_raw_grams_structural(&channel_blocks, &raw_ranges);
3388            (gram_h, gram_struct, raw_ranges)
3389        };
3390
3391        // Order 1: A, B, C — B drops 1 (col 1 aliased to A), C drops 1.
3392        let (gh, gs, rr) = build(&a, &b, &c);
3393        let order_abc = compile_from_raw_grams(
3394            &gh,
3395            &gs,
3396            &rr,
3397            &[
3398                BlockOrder::Marginal,
3399                BlockOrder::Logslope,
3400                BlockOrder::LinkDev,
3401            ],
3402        )
3403        .expect("ABC compile");
3404        assert_eq!(order_abc.compiled_block_ranges[0].len(), 2);
3405        assert_eq!(order_abc.compiled_block_ranges[1].len(), 1);
3406        assert_eq!(order_abc.compiled_block_ranges[2].len(), 1);
3407
3408        // Order 2: B, A, C — A's col 0 is aliased by B's col 1 now; A's
3409        // col 1 is independent. So A drops 1; C still drops 1.
3410        let (gh2, gs2, rr2) = build(&b, &a, &c);
3411        let order_bac = compile_from_raw_grams(
3412            &gh2,
3413            &gs2,
3414            &rr2,
3415            &[
3416                BlockOrder::Marginal,
3417                BlockOrder::Logslope,
3418                BlockOrder::LinkDev,
3419            ],
3420        )
3421        .expect("BAC compile");
3422        assert_eq!(order_bac.compiled_block_ranges[0].len(), 2);
3423        assert_eq!(order_bac.compiled_block_ranges[1].len(), 1);
3424        // Total rank invariant under permutation: 4.
3425        let total_abc: usize = order_abc
3426            .compiled_block_ranges
3427            .iter()
3428            .map(|r| r.len())
3429            .sum();
3430        let total_bac: usize = order_bac
3431            .compiled_block_ranges
3432            .iter()
3433            .map(|r| r.len())
3434            .sum();
3435        assert_eq!(total_abc, total_bac);
3436        assert_eq!(total_abc, 4);
3437    }
3438
3439    /// Build a K=1 raw `(gram_h, gram_struct)` pair for a single stacked design
3440    /// `X` with per-row curvature weights `w`: `gram_struct = Xᵀ X`,
3441    /// `gram_h = Xᵀ diag(w) X`. Mirrors the closed-form definitions the
3442    /// production Gram builders implement for the scalar-channel case.
3443    fn k1_grams(x: &Array2<f64>, w: &Array1<f64>) -> (Array2<f64>, Array2<f64>) {
3444        let gram_struct = fast_atb(x, x);
3445        let xw = fast_xt_diag_y(x, w, x);
3446        (xw, gram_struct)
3447    }
3448
3449    /// Full-rank reduction: when the two blocks are jointly independent the
3450    /// compiled width equals the raw width and the lift `T` reproduces a raw
3451    /// coefficient exactly from its compiled image `θ = T⁺ β` (here, with no
3452    /// aliasing, `lift_coefficients(θ)` of any compiled `θ` lands in the raw
3453    /// design's column interpretation: applying `T` then comparing the induced
3454    /// raw predictor `X·Tθ` to `X·β_raw` for the `θ` solving `Tθ=β_raw`).
3455    #[test]
3456    fn compiled_map_lift_coefficients_roundtrips_full_rank() {
3457        let n = 21;
3458        let p_a = 2;
3459        let p_b = 2;
3460        // Distinct per-column frequencies make the four sinusoidal columns
3461        // genuinely linearly independent over the sample grid. (A shared phase
3462        // offset varying only by column would collapse every column into
3463        // span{sin θ, cos θ, 1}, i.e. rank 3, and the compiler would correctly
3464        // absorb a column — defeating the full-rank premise of this test.)
3465        let x = Array2::from_shape_fn((n, p_a + p_b), |(i, j)| {
3466            ((i as f64 + 1.0) * (0.21 + 0.17 * j as f64)).sin() + 0.11 * (j as f64)
3467        });
3468        let w = Array1::from_shape_fn(n, |i| 0.5 + 0.5 * ((i as f64) * 0.3).cos().abs());
3469        let (gh, gs) = k1_grams(&x, &w);
3470        let raw_ranges = vec![0..p_a, p_a..(p_a + p_b)];
3471        let map = compile_from_raw_grams(
3472            &gh,
3473            &gs,
3474            &raw_ranges,
3475            &[BlockOrder::Marginal, BlockOrder::Logslope],
3476        )
3477        .expect("full-rank compile");
3478        // Jointly independent ⇒ no columns absorbed.
3479        assert_eq!(map.p_compiled(), p_a + p_b);
3480        assert_eq!(map.p_raw(), p_a + p_b);
3481        // For a target raw coefficient, solve T θ = β_raw (T square invertible
3482        // here) and confirm lift_coefficients(θ) == β_raw.
3483        let beta_raw = Array1::from_shape_fn(p_a + p_b, |j| 0.4 * (j as f64) - 0.7);
3484        // T is (p × p); recover θ by a least-squares solve via the normal
3485        // equations TᵀT θ = Tᵀ β.
3486        let tt = fast_atb(&map.raw_from_compiled, &map.raw_from_compiled);
3487        let tb = map.raw_from_compiled.t().dot(&beta_raw);
3488        let theta = solve_psd_system(&tt, &tb.insert_axis(Axis(1)))
3489            .expect("normal-equation solve")
3490            .column(0)
3491            .to_owned();
3492        let lifted = map.lift_coefficients(&theta).expect("lift");
3493        let max_err = (&lifted - &beta_raw)
3494            .iter()
3495            .fold(0.0_f64, |a, &v| a.max(v.abs()));
3496        assert!(
3497            max_err < 1e-8,
3498            "lift round-trip error {max_err:e} (full-rank reduction must be exactly invertible)"
3499        );
3500    }
3501
3502    /// Design reparameterisation exactness: the compiled design predicts
3503    /// identically to the raw design on every lifted coefficient, i.e.
3504    /// `X_compiled · θ == X_raw · (T θ)`. This is the contract that lets a
3505    /// family fit in reduced coordinates and still produce raw-design
3506    /// predictions.
3507    #[test]
3508    fn compiled_map_reduce_design_matches_lifted_raw_predictor() {
3509        let n = 23;
3510        let p_a = 3;
3511        let p_b = 3;
3512        let mut x = Array2::from_shape_fn((n, p_a + p_b), |(i, j)| {
3513            ((i as f64 + 1.0) * 0.41 + (j as f64 + 1.0) * 0.7).sin() + 0.05 * (i % 3) as f64
3514        });
3515        // Alias one B column onto an A column so the reduction is non-trivial.
3516        for i in 0..n {
3517            x[[i, p_a + 1]] = x[[i, 1]];
3518        }
3519        let w = Array1::from_shape_fn(n, |i| 0.6 + 0.4 * ((i as f64) * 0.25).cos().abs());
3520        let (gh, gs) = k1_grams(&x, &w);
3521        let raw_ranges = vec![0..p_a, p_a..(p_a + p_b)];
3522        let map = compile_from_raw_grams(
3523            &gh,
3524            &gs,
3525            &raw_ranges,
3526            &[BlockOrder::Marginal, BlockOrder::Logslope],
3527        )
3528        .expect("compile");
3529        let x_compiled = map.reduce_design(&x).expect("reduce_design");
3530        assert_eq!(x_compiled.ncols(), map.p_compiled());
3531        let theta = Array1::from_shape_fn(map.p_compiled(), |j| 0.3 * (j as f64) - 0.5);
3532        let pred_compiled = x_compiled.dot(&theta);
3533        let beta_raw = map.lift_coefficients(&theta).expect("lift");
3534        let pred_raw = x.dot(&beta_raw);
3535        let max_err = (&pred_compiled - &pred_raw)
3536            .iter()
3537            .fold(0.0_f64, |a, &v| a.max(v.abs()));
3538        assert!(
3539            max_err < 1e-9,
3540            "compiled-design predictor diverges from lifted raw predictor: {max_err:e}"
3541        );
3542    }
3543
3544    /// Penalty-energy preservation: the reduced penalty `Tᵀ Ŝ_b T` reproduces
3545    /// the raw penalty energy `βᵀ Ŝ_b β` on every lifted point `β = T θ`. This
3546    /// is the exactness contract the lift map must satisfy for REML/inference
3547    /// to be invariant to the quotient reparameterisation.
3548    #[test]
3549    fn reduce_penalties_with_map_preserves_energy_on_lift() {
3550        let n = 19;
3551        let p_a = 3;
3552        let p_b = 2;
3553        // Make block B partly aliased with A so the reduction actually drops a
3554        // column — the penalty reduction must still preserve energy on the
3555        // surviving compiled directions.
3556        let mut x = Array2::from_shape_fn((n, p_a + p_b), |(i, j)| {
3557            ((i as f64 + 1.0) * 0.29 + (j as f64 + 1.0) * 0.9).cos()
3558        });
3559        // Column (p_a+0) := column 0 (exact alias) ⇒ B loses one direction.
3560        for i in 0..n {
3561            x[[i, p_a]] = x[[i, 0]];
3562        }
3563        let w = Array1::from_shape_fn(n, |i| 0.7 + 0.3 * ((i as f64) * 0.2).sin().abs());
3564        let (gh, gs) = k1_grams(&x, &w);
3565        let raw_ranges = vec![0..p_a, p_a..(p_a + p_b)];
3566        let map = compile_from_raw_grams(
3567            &gh,
3568            &gs,
3569            &raw_ranges,
3570            &[BlockOrder::Marginal, BlockOrder::Logslope],
3571        )
3572        .expect("compile with alias");
3573        assert!(
3574            map.p_compiled() < p_a + p_b,
3575            "expected at least one absorbed column, got p_compiled={}",
3576            map.p_compiled()
3577        );
3578        // A simple per-block raw penalty: ridge on each block.
3579        let s_a = Array2::<f64>::eye(p_a);
3580        let s_b = Array2::<f64>::eye(p_b);
3581        let reduced = reduce_penalties_with_map(&map, &[Some(s_a.clone()), Some(s_b.clone())])
3582            .expect("reduce penalties");
3583        // For random compiled θ, raw β = T θ. Raw energy for block b is
3584        // β[range_b]ᵀ S_b β[range_b]; reduced energy is θᵀ S_reduced_b θ.
3585        let theta = Array1::from_shape_fn(map.p_compiled(), |j| {
3586            0.6 * (j as f64) - 0.3 + 0.05 * (j % 2) as f64
3587        });
3588        let beta = map.lift_coefficients(&theta).expect("lift");
3589        for (block_idx, s_raw) in [(0usize, &s_a), (1usize, &s_b)] {
3590            let range = &map.raw_block_ranges[block_idx];
3591            let beta_b = beta.slice(s![range.start..range.end]).to_owned();
3592            let raw_energy = beta_b.dot(&s_raw.dot(&beta_b));
3593            let s_reduced = reduced[block_idx]
3594                .as_ref()
3595                .expect("reduced penalty present");
3596            let reduced_energy = theta.dot(&s_reduced.dot(&theta));
3597            assert!(
3598                (raw_energy - reduced_energy).abs() < 1e-8 * raw_energy.abs().max(1.0),
3599                "block {block_idx} energy mismatch: raw={raw_energy:e} reduced={reduced_energy:e}"
3600            );
3601        }
3602    }
3603}