gam_solve/pirls/state.rs
1use crate::active_set::ConstraintKktDiagnostics;
2use crate::estimate::EstimationError;
3use gam_linalg::matrix::{DesignMatrix, ReparamOperator, SignedWeightsView, SymmetricMatrix};
4use gam_problem::LinearInequalityConstraints;
5use gam_problem::{Coefficients, GlmLikelihoodSpec, InverseLink, LinearPredictor, RidgePassport};
6use gam_terms::construction::ReparamResult;
7use ndarray::{ArcArray1, Array1, Array2, ArrayView1};
8use serde::{Deserialize, Serialize};
9use std::sync::Arc;
10
11use super::{compute_observed_hessian_curvature_arrays, computeworkingweight_derivatives_from_eta};
12
13/// Whether the solve operates in sparse-native or dense-transformed coordinates.
14#[derive(Clone, Copy, Debug, PartialEq, Eq)]
15pub enum PirlsLinearSolvePath {
16 DenseTransformed,
17 SparseNative,
18}
19
20/// Coordinate frame for the PIRLS inner iteration.
21#[derive(Clone, Copy, Debug, PartialEq, Eq)]
22pub enum PirlsCoordinateFrame {
23 TransformedQs,
24 OriginalSparseNative,
25}
26
27/// Firth bias-reduction diagnostics at convergence.
28#[derive(Debug, Clone, Default)]
29pub enum FirthDiagnostics {
30 #[default]
31 Inactive,
32 Active {
33 jeffreys_logdet: f64,
34 hat_diag: Array1<f64>,
35 },
36}
37
38impl FirthDiagnostics {
39 #[inline]
40 pub fn jeffreys_logdet(&self) -> Option<f64> {
41 match self {
42 Self::Inactive => None,
43 Self::Active {
44 jeffreys_logdet, ..
45 } => Some(*jeffreys_logdet),
46 }
47 }
48}
49
50/// Which information matrix the penalized Hessian carries at the current
51/// PIRLS iterate.
52///
53/// Canonical links (logit-Binomial, log-Poisson) have W_obs == W_Fisher, so
54/// the two choices coincide. Non-canonical links (probit, cloglog, mixture,
55/// flexible, Gamma-log, ...) need observed information W_obs = W_Fisher -
56/// (y - mu) * B for the outer REML/Laplace log|H| and trace terms to be
57/// exact; Fisher weights alone yield a PQL-type surrogate. We fall back to
58/// `Fisher` only when the observed-information Hessian fails the
59/// positive-definiteness check, since the inner Newton step must be SPD.
60#[derive(Debug, Clone, Copy, PartialEq, Eq, Serialize, Deserialize)]
61pub enum HessianCurvatureKind {
62 /// Expected (Fisher) information: W_Fisher = h'^2 / (phi * V(mu)).
63 /// Used as the inner iteration matrix when observed curvature fails (non-SPD).
64 Fisher,
65 /// Observed information: W_obs = W_Fisher - (y - mu) * B.
66 /// Required for the outer REML log|H| and trace terms (exact Laplace).
67 Observed,
68}
69
70/// The exported Laplace curvature kind used for the outer REML criterion.
71#[derive(Debug, Clone, PartialEq, Serialize, Deserialize)]
72pub enum ExportedLaplaceCurvature {
73 ObservedExact,
74 ExpectedInformationSurrogate,
75 InvalidObservedCurvature {
76 min_eigenvalue: f64,
77 pd_tolerance: f64,
78 gradient_norm: f64,
79 },
80}
81
82/// Working state at a PIRLS iterate: gradient, Hessian, deviance, etc.
83#[derive(Debug, Clone)]
84pub struct WorkingState {
85 pub eta: LinearPredictor,
86 pub gradient: Array1<f64>,
87 pub hessian: gam_linalg::matrix::SymmetricMatrix,
88 /// Inner data log-kernel. A profiled Gaussian stores exactly `-D/2` for
89 /// conventional deviance `D`; likelihoods with a resolved physical scale
90 /// store the strict eta-space log-likelihood omitting response constants.
91 pub log_likelihood: f64,
92 pub deviance: f64,
93 pub penalty_term: f64,
94 pub firth: FirthDiagnostics,
95 // Ridge added to ensure positive definiteness of the penalized Hessian.
96 // `penalty_term` stores the full quadratic form contribution
97 // ridge * ||beta||^2. The optimization objective uses
98 // 0.5 * (deviance + penalty_term), so this corresponds to
99 // 0.5 * ridge * ||beta||^2 on the log-likelihood scale.
100 pub ridge_used: f64,
101 pub hessian_curvature: HessianCurvatureKind,
102 // Natural scale of the penalized gradient, used to form a scale-invariant
103 // KKT certificate. Equal to ||X'(weighted_residual)||_2 + ||S*beta||_2
104 // (+ ridge*||beta||_2 when a stabilizing ridge is active). Under
105 // stochastic noise the score component scales as O(sqrt(n)), so an
106 // absolute ||g||_2 < tol test rejects fits whose normalized stationarity
107 // residual is already negligible. Convergence uses ||g||_2 / (1 + this).
108 pub gradient_natural_scale: f64,
109}
110
111impl WorkingState {
112 /// Value minimized by PIRLS for this fully evaluated state.
113 #[inline]
114 pub fn penalized_objective(&self) -> f64 {
115 0.5 * (self.deviance + self.penalty_term)
116 }
117
118 #[inline]
119 pub fn jeffreys_logdet(&self) -> Option<f64> {
120 self.firth.jeffreys_logdet()
121 }
122
123 /// Scale-invariant relative gradient residual.
124 ///
125 /// Returns ||g||_2 / (1 + ||score||_2 + ||S*beta||_2 + ridge*||beta||_2).
126 /// `g_norm` is the projected/constrained stationarity residual in the
127 /// current PIRLS basis; the denominator is the natural magnitude of the
128 /// penalized gradient and is invariant under uniform rescaling of the
129 /// objective.
130 #[inline]
131 pub fn relative_gradient_norm(&self, g_norm: f64) -> f64 {
132 g_norm / (1.0 + self.gradient_natural_scale)
133 }
134
135 /// Dimension-based scale `√n · max(1, √p)` for the structural KKT bound.
136 ///
137 /// Under standardized columns, the score `Xᵀ(μ − y)` has components of
138 /// order O(√n), so the absolute test ‖g‖ < τ becomes systematically too
139 /// tight at large n. Multiplying τ by this scale restores the advertised
140 /// per-observation meaning.
141 #[inline]
142 pub(crate) fn kkt_dimension_scale(&self) -> f64 {
143 let n = self.eta.len().max(1) as f64;
144 let p = (self.gradient.len() as f64).max(1.0);
145 n.sqrt() * p.sqrt()
146 }
147
148 /// Strict KKT acceptance: `g_norm` certifies stationarity under EITHER
149 /// scale-invariant criterion (dimension-based or data-driven natural-scale).
150 ///
151 /// Both certificates are invariant under uniform rescaling of the objective
152 /// `F → c·F` (in the limit where the natural scale dominates the additive
153 /// `1` floor). Acceptance under either is sufficient because:
154 /// - the natural-scale bound is tighter when the data are well-scaled
155 /// (it tracks actual gradient component magnitudes);
156 /// - the dimension bound is tighter when the design matrix has unusual
157 /// scaling (so the natural scale is dominated by a single component).
158 #[inline]
159 pub fn certifies_kkt(&self, g_norm: f64, tol: f64) -> bool {
160 g_norm < tol * self.kkt_dimension_scale() || self.relative_gradient_norm(g_norm) < tol
161 }
162
163 /// Near-stationary band (10× the strict KKT tolerance) under EITHER
164 /// scale-invariant criterion. Used as a "good-enough" plateau check
165 /// that classifies a fit as `StalledAtValidMinimum` rather than as a
166 /// hard non-convergence. The band is `10 · tol` without a
167 /// floor — a caller asking for `tol = 1e-12` gets a 1e-11 band, not
168 /// the 1e-5 the old `tol.max(1e-6) * 10` formula silently widened it
169 /// to. The 1e-6 floor was masking real convergence regressions
170 /// (e.g. `constant_prior_mean_centers_penalty`'s LM-ridge induced
171 /// 2.5e-8 bias visible only when the user asked for sub-1e-6
172 /// precision).
173 #[inline]
174 pub fn near_stationary_kkt(&self, g_norm: f64, tol: f64) -> bool {
175 let near_tol = tol * 10.0;
176 g_norm <= near_tol * self.kkt_dimension_scale()
177 || self.relative_gradient_norm(g_norm) <= near_tol
178 }
179}
180
181/// Numerically stable Euclidean norm of an `Array1<f64>`.
182///
183/// Used to assemble the penalized-gradient natural scale at every
184/// `WorkingState` construction site (main GAM, identity-link short circuit,
185/// survival, test mocks). Centralizing here avoids drift between sites and
186/// makes the convergence certificate's denominator a single source of truth.
187///
188/// One pass, no allocation, O(p). At p≈10⁴ the cost is ≪ the O(np²) PIRLS
189/// inner work, so this is free in any setting where it matters.
190#[inline]
191pub fn array1_l2_norm(v: &Array1<f64>) -> f64 {
192 v.iter().map(|x| x * x).sum::<f64>().sqrt()
193}
194
195/// Adaptive KKT tolerance parameters for the inner PIRLS convergence test.
196#[derive(Clone, Copy, Debug)]
197pub struct AdaptiveKktTolerance {
198 pub eta: f64,
199 pub floor: f64,
200 pub ceiling: f64,
201 pub outer_grad_norm: f64,
202}
203
204/// Per-iteration PIRLS diagnostic info reported to the callback.
205#[derive(Clone, Debug)]
206pub struct WorkingModelIterationInfo {
207 pub iteration: usize,
208 pub deviance: f64,
209 pub gradient_norm: f64,
210 pub step_size: f64,
211 pub step_halving: usize,
212}
213
214/// Result of the inner `runworking_model_pirls` loop.
215#[derive(Clone)]
216pub struct WorkingModelPirlsResult {
217 pub beta: Coefficients,
218 pub state: WorkingState,
219 pub status: PirlsStatus,
220 pub iterations: usize,
221 pub lastgradient_norm: f64,
222 pub last_deviance_change: f64,
223 pub last_step_size: f64,
224 pub last_step_halving: usize,
225 pub max_abs_eta: f64,
226 pub constraint_kkt: Option<ConstraintKktDiagnostics>,
227 /// The KKT tolerance this solve's convergence certificate was actually
228 /// decided against — `crate::pirls::convergence::effective_kkt_tolerance`,
229 /// i.e. the ADAPTIVE value when the outer schedule supplied one and the
230 /// configured tolerance otherwise.
231 ///
232 /// Carried because a refusal that says "the inner mode did not converge"
233 /// is unreadable without it: the certificate is
234 /// `‖g‖ < tol·√n·√p OR ‖g‖/(1+natural scale) < tol`, and both bounds move
235 /// with `tol` while `tol` itself tightens monotonically toward
236 /// `reml_tolerance/100` as the outer search converges. Without this number
237 /// a reader cannot tell a fit that stalled from a fit that was asked for
238 /// more precision than the inner solver's own tolerances can deliver
239 /// (#2705 group B).
240 ///
241 /// `None` where no certificate was evaluated at all — the zero-iteration
242 /// closed-form syntheses, which are exact and have nothing to certify. An
243 /// absent measurement stays absent rather than borrowing the configured
244 /// tolerance as if it had decided something.
245 pub final_kkt_tolerance: Option<f64>,
246 /// Levenberg-Marquardt damping coefficient at the last accepted
247 /// inner iter. Used by the REML runtime to seed the next PIRLS call
248 /// at the same outer fit, avoiding 4-6 iters of damping rediscovery
249 /// when the geometry calls for `λ_LM > 1e-6`.
250 pub final_lm_lambda: f64,
251 /// Gain ratio (`actual_reduction / predicted_reduction`) at the
252 /// last accepted inner iter. `None` when no step was accepted
253 /// (rejection-exhausted, MaxIterationsReached without acceptance).
254 /// Programmatic counterpart to the per-iter `[PIRLS lm-trajectory]`
255 /// log line's `accept_rho` field — the log is grep-only, this
256 /// field is queryable by the outer schedule and convergence guard.
257 /// Values near 1.0 indicate the quadratic model is faithful;
258 /// values much smaller indicate the LM model is over-stating
259 /// predicted reduction and the inner Newton may benefit from
260 /// shorter steps.
261 pub final_accept_rho: Option<f64>,
262 /// Minimum penalized objective (`½(state.deviance + state.penalty_term)`)
263 /// observed across all iterations whose state was computed during the
264 /// inner P-IRLS loop. The penalized objective is monotonically decreasing
265 /// along any descent path the inner solver takes, so this minimum is a
266 /// principled seed-screening proxy that remains meaningful even when the
267 /// solver hit its iteration cap before reaching the mode. `f64::INFINITY`
268 /// when no state was ever computed (paths that synthesize a result
269 /// without iterating, e.g. zero-iteration warm-only paths).
270 pub min_penalized_deviance: f64,
271 pub exported_laplace_curvature: ExportedLaplaceCurvature,
272}
273
274/// The status of the P-IRLS convergence.
275#[derive(Clone, Copy, Debug, PartialEq, Eq, Serialize, Deserialize)]
276pub enum PirlsStatus {
277 /// Converged successfully within tolerance.
278 Converged,
279 /// Reached the iteration limit at a near-stationary checkpoint whose local
280 /// gradient/Hessian diagnostics look minimum-like. This remains a
281 /// non-converged checkpoint; only `Converged` may mint a fit.
282 StalledAtValidMinimum,
283 /// Reached maximum iterations without converging.
284 MaxIterationsReached,
285 /// Levenberg-Marquardt step search exhausted its retry budget (damping λ
286 /// reached its ceiling, attempts counter expired, or λ went non-finite)
287 /// before the projected gradient entered the near-stationary band. Distinct
288 /// from `MaxIterationsReached`, which means the outer iteration counter
289 /// itself ran out — that exhaustion is a "looped 100×, made progress each
290 /// time but never converged" signal, while this one is a "no acceptable
291 /// step direction even after damping" signal pointing at curvature trouble
292 /// or saturated likelihoods.
293 LmStepSearchExhausted,
294 /// Fitting process became unstable, likely due to perfect separation.
295 Unstable,
296}
297
298impl PirlsStatus {
299 /// Whether the inner loop concluded without producing a usable mode.
300 /// Both the iteration-cap and LM-exhausted exits should be treated the
301 /// same by callers that just want to know "did we get a valid solution?".
302 #[inline]
303 pub const fn is_failed_max_iterations(self) -> bool {
304 matches!(
305 self,
306 PirlsStatus::MaxIterationsReached | PirlsStatus::LmStepSearchExhausted
307 )
308 }
309
310 /// Short human-readable label for reports and diagnostics. Stable text
311 /// (not the `Debug` rendering) so report output does not silently change if
312 /// the variant identifiers are ever renamed.
313 #[inline]
314 pub const fn label(self) -> &'static str {
315 match self {
316 PirlsStatus::Converged => "Converged",
317 PirlsStatus::StalledAtValidMinimum => "Stalled at valid minimum",
318 PirlsStatus::MaxIterationsReached => "Max iterations reached",
319 PirlsStatus::LmStepSearchExhausted => "LM step search exhausted",
320 PirlsStatus::Unstable => "Unstable (possible separation)",
321 }
322 }
323
324 /// Whether this status represents a clean convergence to the mode. Only
325 /// `Converged` qualifies; every other state carries a caveat a reader
326 /// should see flagged.
327 #[inline]
328 pub const fn is_converged(self) -> bool {
329 matches!(self, PirlsStatus::Converged)
330 }
331}
332
333/// Holds the result of a converged P-IRLS inner loop for a fixed rho.
334///
335/// # Basis of Returned Tensors
336///
337/// **IMPORTANT:** All vector and matrix outputs in this struct (`beta_transformed`,
338/// `penalized_hessian_transformed`) are in the **stable, transformed basis**
339/// that was computed for the given set of smoothing parameters.
340///
341/// To obtain coefficients in the original, interpretable basis, the caller must
342/// back-transform them using the `qs` matrix from the `reparam_result` field:
343/// `beta_original = reparam_result.qs.dot(&beta_transformed)`
344///
345/// # Fields
346///
347/// * `beta_transformed`: The estimated coefficient vector in the STABLE, TRANSFORMED basis.
348/// * `penalized_hessian_transformed`: The penalized Hessian matrix at convergence
349/// (`X'W_H X + S_λ`, with `W_H` equal to Fisher or observed curvature,
350/// depending on the accepted PIRLS step) in the STABLE, TRANSFORMED basis.
351/// * `deviance`: The final deviance value. This is family-specific:
352/// - Gaussian identity: weighted residual sum of squares.
353/// - Binomial families: binomial deviance.
354/// - Poisson log: Poisson deviance.
355/// - Gamma log: Gamma unit deviance scaled by the fitted Gamma shape.
356/// * `finalweights`: The final Hessian-side working weights at convergence.
357/// * `solveweights`: The final score-side Fisher weights used in
358/// `X'W(z-eta) - S beta`.
359/// * `reparam_result`: Contains the transformation matrix (`qs`) and other reparameterization data.
360///
361/// # Point Estimate: Posterior Mode (MAP)
362///
363/// The coefficients returned by PIRLS are the **posterior mode** (Maximum A Posteriori estimate),
364/// not the posterior mean. For risk predictions, the posterior mean is theoretically preferable
365/// mode ≈ mean and it doesn't matter. For asymmetric posteriors (rare events, boundary effects),
366/// the mean would give more accurate calibrated probabilities. To obtain the posterior mean,
367/// one would need MCMC sampling from the posterior and average f(patient, β) over samples.
368#[derive(Clone)]
369pub struct PirlsResult {
370 pub likelihood: GlmLikelihoodSpec,
371 // Coefficients and Hessian are now in the STABLE, TRANSFORMED basis
372 pub beta_transformed: Coefficients,
373 pub penalized_hessian_transformed: SymmetricMatrix,
374 // Single stabilized Hessian for consistent cost/gradient computation
375 pub stabilizedhessian_transformed: SymmetricMatrix,
376 /// Canonical ridge metadata passport consumed by outer objective/gradient code.
377 pub ridge_passport: RidgePassport,
378
379 // The unpenalized deviance, calculated from mu and y
380 pub deviance: f64,
381
382 // Effective degrees of freedom at the solution
383 pub edf: f64,
384
385 // The penalty term, calculated stably within P-IRLS.
386 // This is beta_transformed' * S_transformed * beta_transformed, plus
387 // ridge_used * ||beta||^2 when stabilization is active so that the
388 // penalized deviance matches the stabilized Hessian.
389 pub stable_penalty_term: f64,
390
391 /// Firth diagnostics in the converged PIRLS state.
392 pub firth: FirthDiagnostics,
393
394 // Diagonal weights defining the Hessian surface returned to outer REML/LAML.
395 //
396 // For canonical links Fisher = Observed identically. For non-canonical links,
397 // PIRLS always recomputes observed weights at the accepted β̂ in a
398 // post-convergence finalization step (see "Post-convergence Laplace curvature
399 // finalization"), so `finalweights` carries the *observed-information* diagonal
400 // whenever the model supports it — even if the inner LM loop ended on Fisher
401 // due to a fallback. Exact label of what these represent is in
402 // `exported_laplace_curvature`; do not infer the kind from `hessian_curvature`
403 // (which records what the inner loop's last accepted step happened to use).
404 // #1868: the length-`n` row fields are `ArcArray1` (reference-counted
405 // ndarray, O(1) clone) so the n-free κ-trial skip path can SHARE the
406 // once-built frozen row bundle across every trial instead of
407 // re-materialising these placeholders per callback. On the exact path they
408 // are built owned and moved into the shared representation via
409 // `.into_shared()` (O(1) — no element copy). `ArcArray1` is an `ArrayBase`,
410 // so reads (indexing, iteration, `.dot`, `&a - &b`, `.len`, `.view`) work
411 // unchanged; only sites needing an owned `Array1`/`&Array1` take
412 // `.to_owned()`/`.view()`.
413 pub finalweights: ArcArray1<f64>,
414 // Additional PIRLS state captured at the accepted step to support
415 // cost/gradient consistency in the outer optimization
416 pub final_offset: ArcArray1<f64>,
417 pub final_eta: ArcArray1<f64>,
418 pub finalmu: ArcArray1<f64>,
419 /// Score-side Fisher weights used in `X'W(z-eta) - S beta`.
420 pub solveweights: ArcArray1<f64>,
421 pub solveworking_response: ArcArray1<f64>,
422 pub solvemu: ArcArray1<f64>,
423 pub solve_dmu_deta: ArcArray1<f64>,
424 pub solve_d2mu_deta2: ArcArray1<f64>,
425 pub solve_d3mu_deta3: ArcArray1<f64>,
426 /// First eta-derivative of the diagonal Hessian curvature W_H(eta):
427 /// c_i := dW_i/deta_i at the accepted PIRLS solution.
428 ///
429 /// This carries 3rd-order likelihood information used in exact dH/dρ
430 /// terms for outer LAML derivatives.
431 pub solve_c_array: ArcArray1<f64>,
432 /// Exact certificate that at least one entry of `solve_c_array` is nonzero.
433 ///
434 /// Assembly uses this to choose the intrinsic-Hessian correction. Carrying
435 /// the fact from row finalization prevents every value-only REML probe from
436 /// rescanning all observations; Gaussian identity stamps `false`
437 /// analytically because its working curvature is eta-invariant (#2435).
438 pub solve_c_nontrivial: bool,
439 /// Second eta-derivative of the diagonal Hessian curvature W_H(eta):
440 /// d_i := d²W_i/deta_i² at the accepted PIRLS solution.
441 ///
442 /// This carries 4th-order likelihood information used in exact d²H/dρ²
443 /// terms for the outer LAML Hessian.
444 pub solve_d_array: ArcArray1<f64>,
445 /// True when `solve_c_array` / `solve_d_array` are placeholders rather
446 /// than supported likelihood derivatives.
447 pub derivatives_unsupported: bool,
448
449 // Keep all other fields as they are
450 pub status: PirlsStatus,
451 pub iteration: usize,
452 pub max_abs_eta: f64,
453 pub lastgradient_norm: f64,
454 /// Natural scale of the penalized gradient at the accepted PIRLS state,
455 /// equal to ‖Xᵀ(weighted residual)‖₂ + ‖Sβ‖₂ (+ ridge·‖β‖₂ when active).
456 /// Mirrors `WorkingState::gradient_natural_scale` so that callers reading
457 /// `PirlsResult` directly (e.g. seed-screening cost augmentation) can form
458 /// the scale-invariant residual r_g = ‖g‖ / (1 + this) without rebuilding
459 /// the score and penalty norms.
460 pub gradient_natural_scale: f64,
461 /// Penalized inner KKT residual `r = ∇_β L_pen(β̂) = Sβ̂ − ∇ℓ(β̂) (+ridge·β̂)`
462 /// at the accepted P-IRLS iterate, in the STABLE/TRANSFORMED coefficient
463 /// basis (the same frame as `beta_transformed` and the transformed penalized
464 /// Hessian). This is the exact vector whose L2 norm `lastgradient_norm`
465 /// records (see `WorkingState::gradient`, assembled as `Xᵀ(η−z)·w + Sβ`,
466 /// which equals `Sβ − ∇ℓ` because `Xᵀ(η−z)·w = −∇ℓ`). Storing the vector —
467 /// not just its norm — lets the outer REML/LAML evaluator engage the
468 /// inner-KKT envelope correction `Ṽ = V − ½·rᵀH⁻¹r` on design-moving
469 /// flexible-link and ψ/anisotropy paths, where the outer optimizer may
470 /// accept β̂ at a first-order inner cap short of exact stationarity. The
471 /// correction and its θ-gradient vanish as `r → 0`, so a fully-converged
472 /// fit is unchanged. See [`crate::model_types::ProjectedKktResidual`].
473 pub penalized_gradient_transformed: Array1<f64>,
474 pub last_deviance_change: f64,
475 pub last_step_halving: usize,
476 pub hessian_curvature: HessianCurvatureKind,
477 pub exported_laplace_curvature: ExportedLaplaceCurvature,
478 /// Levenberg-Marquardt damping coefficient at the converged inner
479 /// iter. Cached by the REML runtime so the next PIRLS call in the
480 /// same outer optimization can seed `λ_LM` to this value instead
481 /// of cold-starting at `1e-6`. Mirrors `WorkingModelPirlsResult::final_lm_lambda`.
482 pub final_lm_lambda: f64,
483 /// Gain ratio of the last accepted LM step inside this PIRLS solve,
484 /// `None` when no step was accepted (e.g. zero-iteration synthesis,
485 /// rejection-exhausted, MaxIterations without acceptance). Mirrors
486 /// `WorkingModelPirlsResult::final_accept_rho`. Programmatic
487 /// counterpart to the per-iter `[PIRLS lm-trajectory]` log line's
488 /// `accept_rho` field, queryable by outer consumers (cap schedule,
489 /// convergence guard) for inner-Newton model-fidelity decisions.
490 pub final_accept_rho: Option<f64>,
491 /// Optional KKT diagnostics when inequality constraints were active.
492 pub constraint_kkt: Option<ConstraintKktDiagnostics>,
493 /// The KKT tolerance the inner convergence certificate was decided
494 /// against, or `None` where no certificate was evaluated. Mirrors
495 /// [`WorkingModelPirlsResult::final_kkt_tolerance`]; see there for why a
496 /// refusal is unreadable without it (#2705 group B).
497 pub final_kkt_tolerance: Option<f64>,
498 /// Linear inequality system enforced in transformed PIRLS coordinates:
499 /// `A * beta_transformed >= b`.
500 pub linear_constraints_transformed: Option<LinearInequalityConstraints>,
501
502 // Pass through the entire reparameterization result for use in the gradient
503 pub reparam_result: ReparamResult,
504 // Cached X·Qs for this PIRLS result (transformed design matrix)
505 pub x_transformed: DesignMatrix,
506 pub coordinate_frame: PirlsCoordinateFrame,
507 /// True when this fixed-rho inner solve completed on a GPU path.
508 pub used_device: bool,
509 /// True when this result was compacted for REML LRU storage and needs
510 /// cold artifacts (for example `x_transformed`) rehydrated before exact
511 /// bundle construction.
512 pub cache_compacted: bool,
513 /// Minimum penalized objective observed across the inner P-IRLS loop.
514 /// Mirrors `WorkingModelPirlsResult::min_penalized_deviance`. Used as the
515 /// seed-screening ranking proxy: the penalized objective descends monotonically
516 /// along any inner descent path, so the per-seed minimum tells the outer
517 /// cascade "how good a fit this rho's neighbourhood can support" even
518 /// when the inner solver was capped before reaching the mode.
519 pub min_penalized_deviance: f64,
520}
521
522impl PirlsResult {
523 /// Export the stabilized transformed Hessian as an exact dense matrix for
524 /// downstream solve paths that require explicit Hessians.
525 ///
526 /// The returned matrix is the convergence Hessian already used by PIRLS and
527 /// REML (`X'W_HX + S_λ`, plus the explicit stabilization ridge when active).
528 /// Sparse-native fits are materialized from their assembled sparse Hessian;
529 /// no numerical Hessian approximation or compatibility fallback is used.
530 pub fn dense_stabilizedhessian_transformed(
531 &self,
532 context: &str,
533 ) -> Result<Array2<f64>, EstimationError> {
534 self.stabilizedhessian_transformed
535 .try_to_dense_exact(context)
536 .map_err(EstimationError::InvalidInput)
537 }
538
539 #[inline]
540 pub fn jeffreys_logdet(&self) -> Option<f64> {
541 self.firth.jeffreys_logdet()
542 }
543
544 /// Typed view of the Hessian-side working weight diagonal stored on this
545 /// result, sign-honest. `finalweights` carries the observed-information
546 /// diagonal whenever the model supports it (see `exported_laplace_curvature`),
547 /// and observed weights `W_obs = W_F - (y - μ) · B` can be negative for
548 /// non-canonical links. Consumers feeding this into the asymmetric
549 /// `X_iᵀ W X_j` path, `weighted_crossprod_dense_rows`, or
550 /// `xt_diag_x_signed_op` must use this typed view rather than borrowing
551 /// the raw `Array1<f64>` so the function-boundary type contract from
552 /// `linalg/matrix.rs` is construction-enforced.
553 #[inline]
554 pub fn final_weights_signed(&self) -> SignedWeightsView<'_> {
555 SignedWeightsView::new(self.finalweights.view())
556 }
557
558 /// Scale-invariant relative gradient residual at the accepted PIRLS state.
559 ///
560 /// Returns ‖g‖ / (1 + ‖score‖ + ‖Sβ‖ + ridge·‖β‖). Numerator is
561 /// `lastgradient_norm`; denominator is `1 + gradient_natural_scale`.
562 /// This is the "r_g" used by seed-screening cost augmentation.
563 #[inline]
564 pub fn relative_gradient_norm(&self) -> f64 {
565 self.lastgradient_norm / (1.0 + self.gradient_natural_scale)
566 }
567
568 pub(crate) fn compact_for_reml_cache(&self) -> Self {
569 Self {
570 likelihood: self.likelihood.clone(),
571 beta_transformed: self.beta_transformed.clone(),
572 penalized_hessian_transformed: self.penalized_hessian_transformed.clone(),
573 stabilizedhessian_transformed: self.stabilizedhessian_transformed.clone(),
574 ridge_passport: self.ridge_passport,
575 final_kkt_tolerance: self.final_kkt_tolerance,
576 deviance: self.deviance,
577 edf: self.edf,
578 stable_penalty_term: self.stable_penalty_term,
579 firth: self.firth.clone(),
580 finalweights: ArcArray1::zeros(0),
581 final_offset: ArcArray1::zeros(0),
582 final_eta: self.final_eta.clone(),
583 finalmu: ArcArray1::zeros(0),
584 solveweights: self.solveweights.clone(),
585 solveworking_response: self.solveworking_response.clone(),
586 solvemu: self.solvemu.clone(),
587 solve_dmu_deta: ArcArray1::zeros(0),
588 solve_d2mu_deta2: ArcArray1::zeros(0),
589 solve_d3mu_deta3: ArcArray1::zeros(0),
590 solve_c_array: self.solve_c_array.clone(),
591 solve_c_nontrivial: self.solve_c_nontrivial,
592 solve_d_array: self.solve_d_array.clone(),
593 derivatives_unsupported: self.derivatives_unsupported,
594 status: self.status,
595 iteration: self.iteration,
596 max_abs_eta: self.max_abs_eta,
597 lastgradient_norm: self.lastgradient_norm,
598 gradient_natural_scale: self.gradient_natural_scale,
599 // Length-p vector; carried across compaction/rehydration so the
600 // inner-KKT envelope correction survives an LRU round-trip without
601 // rebuilding the score from the (dropped) transformed design.
602 penalized_gradient_transformed: self.penalized_gradient_transformed.clone(),
603 last_deviance_change: self.last_deviance_change,
604 last_step_halving: self.last_step_halving,
605 hessian_curvature: self.hessian_curvature,
606 exported_laplace_curvature: self.exported_laplace_curvature.clone(),
607 final_lm_lambda: self.final_lm_lambda,
608 final_accept_rho: self.final_accept_rho,
609 constraint_kkt: self.constraint_kkt.clone(),
610 linear_constraints_transformed: self.linear_constraints_transformed.clone(),
611 reparam_result: self.reparam_result.clone(),
612 x_transformed: DesignMatrix::Dense(gam_linalg::matrix::DenseDesignMatrix::from(
613 Array2::zeros((0, 0)),
614 )),
615 coordinate_frame: self.coordinate_frame,
616 used_device: self.used_device,
617 cache_compacted: true,
618 min_penalized_deviance: self.min_penalized_deviance,
619 }
620 }
621
622 pub(crate) fn rehydrate_after_reml_cache(
623 &self,
624 x_original: &DesignMatrix,
625 y: ArrayView1<'_, f64>,
626 priorweights: ArrayView1<'_, f64>,
627 offset: ArrayView1<'_, f64>,
628 inverse_link: &InverseLink,
629 ) -> Result<Self, EstimationError> {
630 if !self.cache_compacted {
631 return Ok(self.clone());
632 }
633
634 // #1868: cold LRU rehydration path — materialise the compacted rows from
635 // the frozen link/derivatives and re-wrap into the shared `ArcArray1`
636 // fields (`.into()`, O(1) once owned).
637 let final_eta_owned = self.final_eta.to_owned();
638 let (score_c_array, score_d_array, solve_dmu_deta, solve_d2mu_deta2, solve_d3mu_deta3) =
639 computeworkingweight_derivatives_from_eta(
640 &self.likelihood,
641 inverse_link,
642 &final_eta_owned,
643 priorweights,
644 )?;
645 let (finalweights, solve_c_array, solve_d_array): (
646 ArcArray1<f64>,
647 ArcArray1<f64>,
648 ArcArray1<f64>,
649 ) = if self.hessian_curvature == HessianCurvatureKind::Observed {
650 let (fw, sc, sd) = compute_observed_hessian_curvature_arrays(
651 &self.likelihood,
652 inverse_link,
653 &final_eta_owned,
654 y,
655 &self.solveweights.to_owned(),
656 priorweights,
657 )?;
658 (fw.into(), sc.into(), sd.into())
659 } else {
660 (
661 self.solveweights.clone(),
662 score_c_array.clone().into(),
663 score_d_array.clone().into(),
664 )
665 };
666 // Lazy rehydration: wrap in ReparamOperator instead of materializing X·Qs.
667 let qs_arc = Arc::new(self.reparam_result.qs.clone());
668 Ok(Self {
669 likelihood: self.likelihood.clone(),
670 beta_transformed: self.beta_transformed.clone(),
671 penalized_hessian_transformed: self.penalized_hessian_transformed.clone(),
672 stabilizedhessian_transformed: self.stabilizedhessian_transformed.clone(),
673 ridge_passport: self.ridge_passport,
674 final_kkt_tolerance: self.final_kkt_tolerance,
675 used_device: self.used_device,
676 deviance: self.deviance,
677 edf: self.edf,
678 stable_penalty_term: self.stable_penalty_term,
679 firth: self.firth.clone(),
680 finalweights,
681 final_offset: offset.to_owned().into(),
682 final_eta: self.final_eta.clone(),
683 finalmu: self.solvemu.clone(),
684 solveweights: self.solveweights.clone(),
685 solveworking_response: self.solveworking_response.clone(),
686 solvemu: self.solvemu.clone(),
687 solve_dmu_deta: solve_dmu_deta.into(),
688 solve_d2mu_deta2: solve_d2mu_deta2.into(),
689 solve_d3mu_deta3: solve_d3mu_deta3.into(),
690 solve_c_array,
691 solve_c_nontrivial: self.solve_c_nontrivial,
692 solve_d_array,
693 derivatives_unsupported: self.derivatives_unsupported,
694 status: self.status,
695 iteration: self.iteration,
696 max_abs_eta: self.max_abs_eta,
697 lastgradient_norm: self.lastgradient_norm,
698 gradient_natural_scale: self.gradient_natural_scale,
699 // Length-p vector; carried across compaction/rehydration so the
700 // inner-KKT envelope correction survives an LRU round-trip without
701 // rebuilding the score from the (dropped) transformed design.
702 penalized_gradient_transformed: self.penalized_gradient_transformed.clone(),
703 last_deviance_change: self.last_deviance_change,
704 last_step_halving: self.last_step_halving,
705 hessian_curvature: self.hessian_curvature,
706 exported_laplace_curvature: self.exported_laplace_curvature.clone(),
707 final_lm_lambda: self.final_lm_lambda,
708 final_accept_rho: self.final_accept_rho,
709 constraint_kkt: self.constraint_kkt.clone(),
710 linear_constraints_transformed: self.linear_constraints_transformed.clone(),
711 reparam_result: self.reparam_result.clone(),
712 x_transformed: DesignMatrix::Dense(gam_linalg::matrix::DenseDesignMatrix::from(
713 Arc::new(ReparamOperator::new(x_original.clone(), qs_arc)),
714 )),
715 coordinate_frame: self.coordinate_frame,
716 cache_compacted: false,
717 min_penalized_deviance: self.min_penalized_deviance,
718 })
719 }
720}