gam 0.3.109

Generalized penalized likelihood engine
Documentation
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
145
146
147
148
149
150
151
152
153
154
155
156
157
158
159
160
161
162
163
164
165
166
167
168
169
170
171
172
173
174
175
176
177
178
179
180
181
182
183
184
185
186
187
188
189
190
191
192
193
194
195
196
197
198
199
200
201
202
203
204
205
206
207
208
209
210
211
212
213
214
215
216
217
218
219
220
221
222
223
224
225
226
227
228
229
230
231
232
233
234
235
236
237
238
239
240
241
242
243
244
245
246
247
248
249
250
251
252
253
254
255
256
257
258
259
260
261
262
263
264
265
266
267
268
269
270
271
272
273
274
275
276
277
278
279
280
281
282
283
284
285
286
287
288
289
290
291
292
293
294
295
296
297
298
299
300
301
302
303
304
305
306
307
308
309
310
311
312
313
314
315
316
317
318
319
320
321
322
323
324
325
326
327
328
329
330
331
332
333
334
335
336
337
338
339
340
341
342
343
344
345
346
347
348
349
350
351
352
353
354
355
356
357
358
359
360
361
362
363
364
365
366
367
368
369
370
371
372
373
374
375
376
377
378
379
380
381
382
383
384
385
386
387
388
389
390
391
392
393
394
395
396
397
398
399
400
401
402
403
404
405
406
407
408
409
410
411
412
413
414
415
416
417
418
419
420
421
422
423
424
425
426
427
428
429
430
431
432
433
434
435
436
437
438
439
440
441
442
443
444
445
446
447
448
449
450
451
452
453
454
455
456
457
458
459
460
461
462
463
464
465
466
467
468
469
470
471
472
473
474
475
476
477
478
479
480
481
482
483
484
485
486
487
488
489
490
491
492
493
494
495
496
497
498
499
500
501
502
503
504
505
506
507
508
509
510
511
512
513
514
515
516
517
518
519
520
521
522
523
524
525
526
527
528
529
//! Honest accounting for outer-solver seed validation.
//!
//! The legacy aggregate error built three integers — `generated`,
//! `attempted`, `rejected` — and dumped each rejection's text into a
//! single comma-joined `reasons: [...]` blob. Those names lied:
//! `attempted = min(generated, seed_budget)` rather than "number of
//! seeds we actually ran inner solves on", and `rejected` lumped
//! NaN-domain failures together with structural rank deficiencies and
//! never named *why* the cascade is unable to land on any seed.
//!
//! [`StartupStats`] replaces those counters with a category breakdown
//! derived from the structured [`InnerFailure`] classifier. The same
//! string-sentinel parser the inner-status module uses powers the
//! breakdown here, so a refactor of the inner solver to emit
//! [`InnerFailure`] natively flows through this module without changes
//! at the call site.
//!
//! The struct also drives the seed-loop's structural early-exit: when
//! every observed failure carries the same genuinely structural
//! `(diagnosis, carrying_block)` pair, every remaining ρ candidate will
//! fail the same way, so the outer skips them instead of paying a full
//! joint-Newton inner solve per duplicate. Numerical certificate
//! refusals, such as a phantom multiplier with well-conditioned
//! `H_pen`, are deliberately excluded: continuation treats them as
//! recoverable by changing the ρ path, so startup must not infer that
//! sibling seeds are impossible.

use std::fmt::Write;

use crate::families::custom_family::KktRefusalDiagnosis;
use crate::solver::inner_status::{InnerFailure, classify_inner_error};

/// Records one failed seed candidate along with its structured failure
/// classification, the validation phase tag that produced it, and the
/// 0-based seed index in the candidate list.
#[derive(Clone, Debug)]
pub(crate) struct SeedRejection {
    pub seed_idx: usize,
    pub phase: &'static str,
    pub failure: InnerFailure,
}

impl SeedRejection {
    pub(crate) fn from_message(seed_idx: usize, phase: &'static str, message: String) -> Self {
        Self {
            seed_idx,
            phase,
            failure: classify_inner_error(message),
        }
    }
}

/// Per-category counters built from a collection of [`SeedRejection`].
/// All counts are honest: `screened`, `exact_validated`, and
/// `solver_started` are populated by the seed loop directly; the
/// rejection categories are summed from the `InnerFailure` variants.
#[derive(Clone, Debug, Default)]
pub(crate) struct StartupStats {
    pub generated: usize,
    pub screened: usize,
    pub exact_validated: usize,
    pub solver_started: usize,
    pub rejected_by_kkt: usize,
    pub rejected_by_domain: usize,
    pub rejected_by_objective: usize,
    pub rejected_by_budget: usize,
    pub rejected_other: usize,
}

impl StartupStats {
    pub(crate) fn from_rejections(
        generated: usize,
        screened: usize,
        exact_validated: usize,
        solver_started: usize,
        rejections: &[SeedRejection],
    ) -> Self {
        let mut stats = Self {
            generated,
            screened,
            exact_validated,
            solver_started,
            ..Self::default()
        };
        for rej in rejections {
            match &rej.failure {
                InnerFailure::CertRefused { .. } => stats.rejected_by_kkt += 1,
                InnerFailure::LikelihoodFailure(_) => stats.rejected_by_domain += 1,
                InnerFailure::BudgetExhausted { .. } | InnerFailure::TrustRegionFloor { .. } => {
                    stats.rejected_by_budget += 1
                }
                // A pre-fit identifiability failure is structural in
                // the same shape as a KKT cert refusal — bucket it
                // with `rejected_by_kkt` so the seed-screening
                // structural early-exit accounting sees it.
                InnerFailure::IdentifiabilityFailure { .. } => stats.rejected_by_kkt += 1,
                InnerFailure::Other(msg) => {
                    if msg.contains("non-finite")
                        || msg.contains("not finite")
                        || msg.contains("Infinity")
                        || msg.contains("inf")
                    {
                        stats.rejected_by_objective += 1;
                    } else {
                        stats.rejected_other += 1;
                    }
                }
            }
        }
        stats
    }

    pub(crate) fn total_rejected(&self) -> usize {
        self.rejected_by_kkt
            + self.rejected_by_domain
            + self.rejected_by_objective
            + self.rejected_by_budget
            + self.rejected_other
    }
}

/// `(diagnosis, carrying_block)` key shared by genuinely structural
/// rejections. When every observed rejection carries the same key, the
/// outer seed loop short-circuits — there is no point burning a full
/// inner solve on each remaining ρ candidate just to watch the same
/// structural rank/alias/active-set defect reject it.
pub(crate) type StructuralKey = (KktRefusalDiagnosis, Option<String>);

pub(crate) fn structural_key(failure: &InnerFailure) -> Option<StructuralKey> {
    match failure {
        InnerFailure::CertRefused {
            diagnosis,
            carrying_block,
            ..
        } => match diagnosis {
            KktRefusalDiagnosis::RankDeficientHPen
            | KktRefusalDiagnosis::ActiveSetIncomplete
            | KktRefusalDiagnosis::AliasingDetectedAtFit => {
                Some((*diagnosis, carrying_block.clone()))
            }
            KktRefusalDiagnosis::PhantomMultiplierWithWellConditionedH => None,
        },
        _ => None,
    }
}

/// `Some(key)` when every rejection in `rejections` is a genuinely
/// structural failure with an identical `(diagnosis, carrying_block)`
/// pair, and the cascade has produced at least `min_count`
/// observations. The caller uses this to break the seed loop early and
/// to format the structural-cause diagnosis in the final error.
pub(crate) fn uniform_structural_key(
    rejections: &[SeedRejection],
    min_count: usize,
) -> Option<StructuralKey> {
    if rejections.len() < min_count {
        return None;
    }
    let mut iter = rejections.iter();
    let key = structural_key(&iter.next()?.failure)?;
    for rej in iter {
        let candidate = structural_key(&rej.failure)?;
        if candidate != key {
            return None;
        }
    }
    Some(key)
}

/// Render a structural-cause diagnosis hint based on the agreed-upon
/// `(diagnosis, carrying_block)` pair. The phrasing names the user's
/// next step (reduce knots / increase λ / wait for null-space
/// absorption) so the failure is actionable rather than just labelled.
pub(crate) fn structural_diagnosis_hint(key: &StructuralKey) -> String {
    let (diagnosis, carrying) = key;
    let carrying_label = carrying
        .as_deref()
        .map(|name| format!("smooth '{name}'"))
        .unwrap_or_else(|| "the smooth carrying the dominant KKT residual".to_string());
    match diagnosis {
        KktRefusalDiagnosis::RankDeficientHPen => format!(
            "structural rank deficiency in {carrying_label} — no seed is solvable. \
             Either reduce the smooth's knot count, increase its smoothing parameter, \
             or rely on the smooth-construction null-space absorption pass once it lands."
        ),
        KktRefusalDiagnosis::PhantomMultiplierWithWellConditionedH => format!(
            "every seed terminates at a phantom multiplier in {carrying_label} while H_pen \
             is well-conditioned — the active-set projection captures part but not all of \
             the gradient. Likely an incomplete inequality-constraint set or a basis whose \
             range still hides a near-null direction the data does not constrain."
        ),
        KktRefusalDiagnosis::ActiveSetIncomplete => format!(
            "every seed exits with an incomplete active set on {carrying_label}. The \
             outer cascade cannot grow the active set further without changing the \
             smooth's constraint family."
        ),
        KktRefusalDiagnosis::AliasingDetectedAtFit => format!(
            "cross-block identifiability aliasing surfaced at {carrying_label} during the \
             inner solve — a binding active set or λ-dependent direction created an alias \
             the pre-fit audit could not see. Structural fix only: drop or reparameterise \
             the aliased block; no rho-anneal will recover."
        ),
    }
}

/// Format the structured "no candidate seeds passed outer startup
/// validation" payload. Returns a single multi-line `String` because
/// `EstimationError::RemlOptimizationFailed` carries a single message
/// field.
pub(crate) fn format_no_seeds_passed(
    context: &str,
    stats: &StartupStats,
    rejections: &[SeedRejection],
    structural: Option<&StructuralKey>,
    early_exit_note: &str,
) -> String {
    let mut out = String::new();
    writeln!(
        &mut out,
        "no candidate seeds passed outer startup validation ({context}):"
    )
    .expect("writing to String cannot fail");
    writeln!(
        &mut out,
        "  generated={}, screened={}, exact_validated={}, solver_started={}",
        stats.generated, stats.screened, stats.exact_validated, stats.solver_started,
    )
    .expect("writing to String cannot fail");
    writeln!(
        &mut out,
        "  rejection breakdown: rejected_by_kkt={}, rejected_by_domain={}, \
         rejected_by_objective={}, rejected_by_budget={}, rejected_other={} (total={})",
        stats.rejected_by_kkt,
        stats.rejected_by_domain,
        stats.rejected_by_objective,
        stats.rejected_by_budget,
        stats.rejected_other,
        stats.total_rejected(),
    )
    .expect("writing to String cannot fail");
    if let Some(key) = structural {
        writeln!(
            &mut out,
            "  uniform CertRefused: diagnosis={}, carrying-block={}",
            key.0.as_str(),
            key.1.as_deref().unwrap_or("<unknown>"),
        )
        .expect("writing to String cannot fail");
        writeln!(&mut out, "  diagnosis: {}", structural_diagnosis_hint(key))
            .expect("writing to String cannot fail");
    }
    if !early_exit_note.is_empty() {
        writeln!(&mut out, "  {early_exit_note}").expect("writing to String cannot fail");
    }
    if !rejections.is_empty() {
        writeln!(&mut out, "  per-seed reasons:").expect("writing to String cannot fail");
        for rej in rejections {
            writeln!(
                &mut out,
                "    seed {} ({}): {}",
                rej.seed_idx,
                rej.phase,
                rej.failure.message(),
            )
            .expect("writing to String cannot fail");
        }
    }
    // Trim the trailing newline so the message embeds cleanly inside
    // `EstimationError::RemlOptimizationFailed("...")`.
    while out.ends_with('\n') {
        out.pop();
    }
    out
}

#[cfg(test)]
mod tests {
    use super::*;

    fn cert_refused(seed_idx: usize, block: &str) -> SeedRejection {
        SeedRejection::from_message(
            seed_idx,
            "validation",
            format!(
                "cycle=7 cert REFUSED: residual=5.0e+05 > 4·tol=4.0e+03; \
                 carrying-block: {block} (idx=0, |g|=5.0e+05, |Sβ|=1.0e-03, \
                 |∇L-Sβ|=5.0e+05, |β|=1.0e+00, width=12); diagnosis: rank_deficient_H_pen; \
                 reduce knots"
            ),
        )
    }

    fn phantom_refused(seed_idx: usize, block: &str) -> SeedRejection {
        SeedRejection::from_message(
            seed_idx,
            "validation",
            format!(
                "cycle=7 cert REFUSED: residual=5.0e+00 > 4·tol=4.0e-06; \
                 carrying-block: {block} (idx=0, |g|=5.0e+00, |Sβ|=1.0e-03, \
                 |∇L-Sβ|=5.0e+00, |β|=5.0e+01, width=20); \
                 H_pen spectrum: λ_max=1.0e+03, λ_min=1.0e+00, cond=1.0e+03; \
                 diagnosis: phantom_multiplier_with_well_conditioned_H"
            ),
        )
    }

    #[test]
    fn structural_key_extracts_diagnosis_only_for_cert_refused() {
        let cert = cert_refused(0, "time_surface").failure;
        let key = structural_key(&cert).expect("CertRefused must yield a structural key");
        assert_eq!(key.0, KktRefusalDiagnosis::RankDeficientHPen);
        assert_eq!(key.1.as_deref(), Some("time_surface"));

        let domain = SeedRejection::from_message(
            0,
            "validation",
            "likelihood evaluation failed: NaN response".to_string(),
        )
        .failure;
        assert!(
            structural_key(&domain).is_none(),
            "non-cert-refused failures must not present a structural key"
        );

        let phantom = phantom_refused(0, "marginal_surface").failure;
        assert!(
            structural_key(&phantom).is_none(),
            "well-conditioned phantom multipliers are rho-local certificate refusals, not structural seed-loop keys"
        );
    }

    #[test]
    fn startup_stats_categorises_cert_refused() {
        let rejections = vec![
            cert_refused(0, "time_surface"),
            cert_refused(1, "time_surface"),
        ];
        let stats = StartupStats::from_rejections(5, 5, 5, 0, &rejections);
        assert_eq!(stats.generated, 5);
        assert_eq!(stats.solver_started, 0);
        assert_eq!(stats.rejected_by_kkt, 2);
        assert_eq!(stats.rejected_by_domain, 0);
        assert_eq!(stats.total_rejected(), 2);
    }

    #[test]
    fn uniform_structural_key_detects_repeating_cert_refused() {
        let rejections = vec![
            cert_refused(0, "time_surface"),
            cert_refused(1, "time_surface"),
            cert_refused(2, "time_surface"),
        ];
        let key = uniform_structural_key(&rejections, 2).expect("uniform key");
        assert_eq!(key.0, KktRefusalDiagnosis::RankDeficientHPen);
        assert_eq!(key.1.as_deref(), Some("time_surface"));
    }

    #[test]
    fn uniform_structural_key_rejects_mixed_blocks() {
        let rejections = vec![cert_refused(0, "time_surface"), cert_refused(1, "marginal")];
        assert!(uniform_structural_key(&rejections, 2).is_none());
    }

    #[test]
    fn uniform_structural_key_rejects_mixed_failure_kinds() {
        let cert = cert_refused(0, "time_surface");
        let domain = SeedRejection::from_message(
            1,
            "validation",
            "likelihood evaluation failed: NaN response".to_string(),
        );
        assert!(uniform_structural_key(&[cert, domain], 2).is_none());
    }

    #[test]
    fn uniform_structural_key_ignores_repeated_phantom_multiplier_refusals() {
        let rejections = vec![
            phantom_refused(0, "marginal_surface"),
            phantom_refused(1, "marginal_surface"),
            phantom_refused(2, "marginal_surface"),
        ];
        assert!(
            uniform_structural_key(&rejections, 2).is_none(),
            "phantom_multiplier_with_well_conditioned_H is recoverable by trying another rho seed; startup must not skip sibling seeds"
        );
    }

    #[test]
    fn no_seeds_payload_does_not_call_phantom_refusals_structural() {
        let rejections = vec![
            phantom_refused(0, "marginal_surface"),
            phantom_refused(1, "marginal_surface"),
        ];
        let stats = StartupStats::from_rejections(5, 5, 2, 0, &rejections);
        let key = uniform_structural_key(&rejections, 2);
        let msg = format_no_seeds_passed("custom family", &stats, &rejections, key.as_ref(), "");
        assert!(msg.contains("rejected_by_kkt=2"));
        assert!(!msg.contains("uniform CertRefused"));
        assert!(!msg.contains("early-exit triggered"));
        assert!(
            msg.contains("phantom_multiplier_with_well_conditioned_H"),
            "per-seed diagnostics must still preserve the actual refusal"
        );
    }

    /// Simulates the outer seed loop's iterative behaviour: failures
    /// arrive one at a time, and after each one we probe whether
    /// `uniform_structural_key` is ready to fire the structural
    /// early-exit (Stage 3). The contract is:
    ///   - after one failure the key is not yet stable (min_count=2)
    ///   - after two identical failures it fires
    ///   - if the third failure deviates the key would no longer be uniform
    /// The seed loop in `outer_strategy.rs` mirrors this exact pattern,
    /// so the test pins the behaviour without needing to spin up the
    /// full outer optimiser.
    #[test]
    fn iterative_loop_triggers_early_exit_at_second_uniform_failure() {
        const MIN_COUNT: usize = 2;
        let mut rejections: Vec<SeedRejection> = Vec::new();

        rejections.push(cert_refused(0, "time_surface"));
        assert!(
            uniform_structural_key(&rejections, MIN_COUNT).is_none(),
            "single failure must not trigger early-exit; threshold guards \
             against transient one-off CertRefused at exploration seeds"
        );

        rejections.push(cert_refused(1, "time_surface"));
        let key = uniform_structural_key(&rejections, MIN_COUNT)
            .expect("second matching failure must trigger early-exit");
        assert_eq!(key.0, KktRefusalDiagnosis::RankDeficientHPen);
        assert_eq!(key.1.as_deref(), Some("time_surface"));

        // If we kept iterating past early-exit (hypothetically) a
        // deviating third failure would invalidate the key. Verify the
        // equality check is strict on (diagnosis, block) — never on
        // diagnosis alone.
        rejections.push(cert_refused(2, "marginal"));
        assert!(
            uniform_structural_key(&rejections, MIN_COUNT).is_none(),
            "structural key must be invalidated when a sibling block \
             carries the residual at a later seed"
        );
    }

    /// Pins the structural-cause hint copy. The phrasing names the
    /// user's next action so the error is actionable; the test guards
    /// against accidental message regressions when the diagnosis enum
    /// is extended.
    #[test]
    fn structural_diagnosis_hint_names_next_action_per_diagnosis() {
        let rank = structural_diagnosis_hint(&(
            KktRefusalDiagnosis::RankDeficientHPen,
            Some("time_surface".to_string()),
        ));
        assert!(rank.contains("structural rank deficiency"));
        assert!(rank.contains("time_surface"));
        assert!(rank.contains("reduce the smooth's knot count"));

        let phantom = structural_diagnosis_hint(&(
            KktRefusalDiagnosis::PhantomMultiplierWithWellConditionedH,
            None,
        ));
        assert!(phantom.contains("phantom multiplier"));
        assert!(phantom.contains("the smooth carrying the dominant KKT residual"));

        let active = structural_diagnosis_hint(&(
            KktRefusalDiagnosis::ActiveSetIncomplete,
            Some("constraint_block".to_string()),
        ));
        assert!(active.contains("incomplete active set"));
        assert!(active.contains("constraint_block"));
    }

    /// Smoke test that the full final-error formatter (used by
    /// `run_outer_with_plan` when no seed converges) builds a payload
    /// that names every field the user needs to triage a failed fit:
    /// honest counters, per-category breakdown, structural hint, and
    /// the original per-seed messages.
    #[test]
    fn format_no_seeds_passed_payload_carries_full_triage_surface() {
        let rejections = vec![
            cert_refused(0, "time_surface"),
            cert_refused(1, "time_surface"),
            cert_refused(2, "time_surface"),
        ];
        let stats = StartupStats::from_rejections(5, 5, 3, 0, &rejections);
        let key = uniform_structural_key(&rejections, 2);
        let msg = format_no_seeds_passed(
            "custom family",
            &stats,
            &rejections,
            key.as_ref(),
            "early-exit triggered: every observed seed reported the same structural CertRefused",
        );
        // Honest counters
        assert!(msg.contains("generated=5"));
        assert!(msg.contains("exact_validated=3"));
        assert!(msg.contains("solver_started=0"));
        // Per-category breakdown
        assert!(msg.contains("rejected_by_kkt=3"));
        // Structural diagnosis
        assert!(msg.contains("diagnosis=rank_deficient_H_pen"));
        assert!(msg.contains("carrying-block=time_surface"));
        assert!(msg.contains("structural rank deficiency"));
        // Early-exit note
        assert!(msg.contains("early-exit triggered"));
        // Per-seed reasons preserved (the original messages still bubble)
        assert!(msg.contains("seed 0 (validation)"));
        assert!(msg.contains("seed 2 (validation)"));
    }

    #[test]
    fn format_no_seeds_passed_emits_structured_payload() {
        let rejections = vec![
            cert_refused(0, "time_surface"),
            cert_refused(1, "time_surface"),
        ];
        let stats = StartupStats::from_rejections(5, 5, 5, 0, &rejections);
        let key = uniform_structural_key(&rejections, 2);
        let msg = format_no_seeds_passed("custom family", &stats, &rejections, key.as_ref(), "");
        assert!(msg.contains("generated=5"));
        assert!(msg.contains("solver_started=0"));
        assert!(msg.contains("rejected_by_kkt=2"));
        assert!(msg.contains("diagnosis=rank_deficient_H_pen"));
        assert!(msg.contains("carrying-block=time_surface"));
        assert!(msg.contains("structural rank deficiency"));
    }
}