gam_solve/rho_optimizer/objective.rs
1use super::*;
2
3// Re-exported here while the shared EFS contract lives in `gam-problem`.
4pub use gam_problem::{EfsEval, FixedPointCertificateEval, FixedPointCoordinateCertificate};
5
6/// Outcome of [`OuterObjective::seed_inner_state`].
7///
8/// Distinguishes two non-error outcomes that callers handle differently:
9///
10/// - [`SeedOutcome::Installed`] — the objective owns an inner-β slot and the
11/// provided β has been stored there. The next `eval*` will warm-start from
12/// this β.
13/// - [`SeedOutcome::NoSlot`] — the objective has no inner-β slot at all. The
14/// provided β is silently discarded. This is the contract reply for
15/// objectives whose inner iterate is conceptually empty (e.g. line-search
16/// bridges, screening proxies, fixed-spec objectives).
17///
18/// Genuine seeding failures (wrong dimension when a slot exists, internal
19/// allocation faults, …) are reported via `Err(EstimationError)`.
20///
21/// The two non-error variants exist because the two real callers want
22/// opposite behavior on the no-slot path:
23///
24/// - The outer cache warm-start path (`OuterProblem::run`) reads a `(ρ, β)`
25/// pair from disk; if the objective has no β slot it must log loudly
26/// ("β-bearing checkpoint silently degraded to ρ-only resume") so cache
27/// provenance is auditable.
28/// - The typed reactive continuation path forwards `inner_beta_hint` from the
29/// previous solved waypoint; if the objective has no β slot the path
30/// simply proceeds cold — no log, no error.
31///
32/// Encoding the distinction in the return type lets each caller branch on
33/// the variant without inspecting error message strings (the previous
34/// brittle approach, see git history for `is_no_hook` in continuation.rs).
35#[derive(Debug, Clone, Copy, PartialEq, Eq)]
36pub enum SeedOutcome {
37 /// The objective installed the provided β into its inner-β slot.
38 Installed,
39 /// The objective has no inner-β slot; the β was discarded.
40 NoSlot,
41 /// The objective owns an inner-β slot, but the provided β is
42 /// structurally incompatible with this fit's inner block layout
43 /// (its length does not match the per-block coefficient widths). The
44 /// β was discarded and the fit resumes ρ-only.
45 ///
46 /// This is the load-time reply for a *row-relaxed* cross-fit seed
47 /// (the `cache_seed_key` prefix channel): two folds of the same model
48 /// share an ρ-dim, so the cached ρ transfers, but the realized basis
49 /// rank — hence the inner β length — is row-population dependent and
50 /// legitimately differs across folds (the LOSO p=37-vs-p=85 case).
51 /// A length-mismatched seed β is therefore NOT an error: cross-length
52 /// β transfer is delegated to the gauge-projected `FitArtifact`
53 /// channel, which least-squares re-expresses the parent's raw β into
54 /// this fold's reduced subspace. Reporting `Incompatible` here keeps
55 /// the (correct) ρ seed and avoids a spurious full cold-start.
56 Incompatible,
57}
58
59/// Common interface for outer smoothing-parameter objectives.
60///
61/// Every model path that optimizes smoothing parameters implements this trait.
62/// The runner function consumes it and handles solver selection,
63/// multi-start, and logging while delegating derivative fallback policy to
64/// `opt`.
65///
66/// # Contract
67///
68/// - `capability()` must be stable (same result across calls).
69/// - `eval()` may return `HessianValue::Unavailable` at individual trial
70/// points even when `capability().hessian == Analytic`; `opt` degrades that
71/// step to first-order behavior instead of requiring the objective to fake a
72/// stale or non-finite Hessian.
73/// - Use `eval_cost()` / `OuterEval::infeasible()` for infeasible trial points.
74/// Return `Err(...)` only when the evaluation artifact itself cannot be
75/// constructed. Such errors are fatal across screening, multistart, and
76/// solver plans; they are never reinterpreted as another numerical trial.
77/// - `eval_cost()` is used only for cost-based optimization paths.
78/// - `eval()` is the main evaluation path (cost + gradient + optional Hessian).
79/// - `eval_efs()` is used only by the EFS solver. It runs the inner solve,
80/// builds the `InnerSolution`, and computes the EFS step vector. The default
81/// implementation returns an error; only objectives that support EFS need
82/// to override it.
83/// - `reset()` restores state to a clean baseline (for multi-start).
84pub trait OuterObjective {
85 /// Declare what this objective can compute analytically.
86 fn capability(&self) -> OuterCapability;
87
88 /// Evaluate cost only for cost-based optimization paths.
89 fn eval_cost(&mut self, rho: &Array1<f64>) -> Result<f64, EstimationError>;
90
91 /// Evaluate the seed-screening ranking proxy at this `rho`.
92 ///
93 /// Used exclusively by the `rank_seeds_with_screening` cascade. The
94 /// default delegates to [`OuterObjective::eval_cost`], which preserves
95 /// behavior for non-REML objectives.
96 ///
97 /// Concrete REML-state objectives override this to return the per-seed
98 /// minimum penalized deviance observed during the inner P-IRLS solve
99 /// (a monotonically descending quantity that remains a meaningful
100 /// quality signal even at a 3-iteration screening cap), instead of the
101 /// V_LAML criterion (which is dominated by a poorly-conditioned
102 /// `0.5·log|H|` term at partial-fit β̂ and ranks seeds little better
103 /// than random). The proxy fires *only* in screening mode; outside
104 /// screening it must return the regular V_LAML cost so the optimization
105 /// objective is unchanged.
106 ///
107 /// # Why the `eval_cost` default is correct for everyone else (#969)
108 ///
109 /// The partial-fit pathology is CAUSED by the screening cap: it is the
110 /// `0.5·log|H|` term evaluated at a β̂ whose inner solve was truncated
111 /// by `screening_max_inner_iterations`. An objective only suffers it if
112 /// it (a) consumes that cap atomic AND (b) ranks on a curvature-bearing
113 /// criterion at the truncated iterate — which is exactly the REML/LAML
114 /// state-objective family, all of which override this method (or are
115 /// built via `build_objective_with_screening_proxy`). Objectives that
116 /// never wire the cap pay the full inner solve during screening, so
117 /// their screened cost IS the true criterion — slower, but a correct
118 /// ranking by definition, and a proxy could only degrade it. Any future
119 /// objective that starts honoring the screening cap on a
120 /// curvature-bearing criterion must override this with its own
121 /// monotonically-descending inner quantity (the penalized-deviance
122 /// pattern above generalizes: rank on the best inner merit seen, never
123 /// on a curvature term at a truncated iterate).
124 fn eval_screening_proxy(&mut self, rho: &Array1<f64>) -> Result<f64, EstimationError> {
125 self.eval_cost(rho)
126 }
127
128 /// Evaluate cost + gradient + (if capable) Hessian.
129 fn eval(&mut self, rho: &Array1<f64>) -> Result<OuterEval, EstimationError>;
130
131 /// Evaluate the outer objective at the order requested by the active plan.
132 ///
133 /// The default preserves legacy behavior by delegating value-only requests
134 /// to [`OuterObjective::eval_cost`] and derivative requests to
135 /// [`OuterObjective::eval`].
136 fn eval_with_order(
137 &mut self,
138 rho: &Array1<f64>,
139 order: OuterEvalOrder,
140 ) -> Result<OuterEval, EstimationError> {
141 match order {
142 OuterEvalOrder::Value => {
143 let cost = self.eval_cost(rho)?;
144 Ok(OuterEval::value_only(cost, rho.len(), None))
145 }
146 OuterEvalOrder::ValueAndGradient | OuterEvalOrder::ValueGradientHessian => {
147 self.eval(rho)
148 }
149 }
150 }
151
152 /// Evaluate cost + EFS step vector. Only needed when the plan selects
153 /// `Solver::Efs`. The default returns an error indicating EFS is not
154 /// supported by this objective.
155 fn eval_efs(&mut self, rho: &Array1<f64>) -> Result<EfsEval, EstimationError> {
156 Err(EstimationError::RemlOptimizationFailed(format!(
157 "EFS evaluation not implemented for this objective at rho_dim={}",
158 rho.len()
159 )))
160 }
161
162 /// Re-evaluate the terminal fixed point and provide an explicit analytic
163 /// residual for every optimized coordinate.
164 ///
165 /// This is a proof surface, not an alias for [`Self::eval_efs`]: iteration
166 /// steps may contain guarded or structurally unsupported zeros. The default
167 /// refuses certification so an EFS-capable objective must deliberately
168 /// describe complete, root-equivalent coordinate coverage before a fixed-
169 /// point result can mint a fit.
170 fn eval_fixed_point_certificate(
171 &mut self,
172 rho: &Array1<f64>,
173 ) -> Result<FixedPointCertificateEval, EstimationError> {
174 Err(EstimationError::RemlOptimizationFailed(format!(
175 "fixed-point certification not implemented for this objective at rho_dim={}",
176 rho.len()
177 )))
178 }
179
180 /// Restore to a clean baseline for the next multi-start candidate.
181 fn reset(&mut self);
182
183 /// Whether this objective owns a terminal *coefficient* mode whose bitwise
184 /// identity fit assembly will later bind against the certified outer value.
185 ///
186 /// The certification sequence (`run.rs`) installs the terminal state twice
187 /// at `result.rho`: once via [`Self::finalize_outer_result`] (which the
188 /// mode-owning evaluator uses to install its coefficient mode) and once via
189 /// the analytic re-evaluation inside `certify_outer_optimality` (which sets
190 /// `result.final_value`). On a nonconvex profiled objective those two
191 /// evaluations can settle in *different* coefficient basins unless each is
192 /// forced to re-install from the same clean baseline through [`Self::reset`]
193 /// — otherwise they prime the inner solve off whatever warm state the
194 /// preceding diagnostic/finalize left behind, and the mode's objective and
195 /// the certified value disagree by a whole basin (measured: `9.1931e2` vs
196 /// `9.1671e2` on the cause-specific survival gate).
197 ///
198 /// That terminal reset is otherwise gated on `config.outer_inner_cap`,
199 /// which the REML/mixture objectives wire but the custom-family (and any
200 /// other terminal-mode-owning closure) objective does not — it holds its
201 /// inner cap in a different field and leaves `outer_inner_cap` `None`, so
202 /// the reset never fires and the bitwise bind can spuriously fail on a
203 /// bimodal inner solve. Returning `true` here forces the terminal reset
204 /// *independently of the cap*, so `finalize` and `certify` provably come
205 /// from one fresh evaluation at `rho_star`. It deliberately does NOT touch
206 /// the `inner_solve_converged(config.outer_inner_cap)` gate: an objective
207 /// that owns a terminal mode but does not populate the cap's convergence
208 /// atomic keeps its own stateful convergence semantics.
209 ///
210 /// The default is `false`: an objective that owns no terminal coefficient
211 /// mode (the reactive-domain fixture among them) retains the very state its
212 /// evaluation at `result.rho` depends on and must not be reset.
213 fn owns_terminal_coefficient_mode(&self) -> bool {
214 false
215 }
216
217 /// Transition an objective that actually used an approximate derivative
218 /// pilot to its exact full-data measure.
219 ///
220 /// The runner calls this once after the pilot solver returns a checkpoint.
221 /// `true` means the objective changed measure and must be optimized again
222 /// from that checkpoint before analytic certification. Exact objectives and
223 /// pilots that never installed a sample return `false`.
224 fn begin_exact_polish(&mut self) -> bool {
225 false
226 }
227
228 /// Seed the inner-solver iterate before the first eval, e.g. when the
229 /// outer-iterate cache restored a `(ρ, β)` pair from a prior run, or
230 /// when a typed reactive continuation path forwards
231 /// `OuterEval::inner_beta_hint`
232 /// from the previous step.
233 ///
234 /// Objectives make an explicit choice via the [`SeedOutcome`] return:
235 /// implementations with an inner β slot return [`SeedOutcome::Installed`]
236 /// after storing β; implementations without one return
237 /// [`SeedOutcome::NoSlot`]. Genuine seeding failures (wrong dimension
238 /// when a slot exists, etc.) are reported via `Err(EstimationError)`.
239 ///
240 /// Callers that need to distinguish "no slot" from "installed" (the
241 /// outer cache warm-start path, which logs cache provenance) branch on
242 /// the variant. Callers that don't care (the reactive continuation path,
243 /// which only proceeds cold when the hint is unusable) ignore it and only
244 /// propagate `Err`.
245 fn seed_inner_state(&mut self, beta: &Array1<f64>) -> Result<SeedOutcome, EstimationError>;
246
247 /// Optional objective-owned hard upper domain for the outer coordinates.
248 ///
249 /// The generic optimizer intersects this vector with its configured box
250 /// before projecting seeds, constructing a solver, or opening reactive
251 /// continuation. Consequently the exact same upper endpoint is both the
252 /// solver's legal box face and the continuation path's literal rho entry.
253 /// `None` means the objective has no domain narrower than the configured
254 /// generic box. An advertised vector must have `capability().n_params`
255 /// finite entries; malformed contracts are typed runner errors.
256 fn outer_domain_upper_bound(&self) -> Result<Option<Array1<f64>>, EstimationError> {
257 Ok(None)
258 }
259
260 /// Optional objective-owned hard lower domain for the outer coordinates.
261 ///
262 /// This is intersected with the caller's configured box at the same single
263 /// runner seam as [`Self::outer_domain_upper_bound`], before any seed,
264 /// continuation waypoint, solver evaluation, or stationarity certificate can
265 /// observe an out-of-domain coordinate.
266 fn outer_domain_lower_bound(&self) -> Result<Option<Array1<f64>>, EstimationError> {
267 Ok(None)
268 }
269
270 /// Optional opt-in to the device-resident outer REML BFGS-over-ρ driver
271 /// (`crate::gpu::reml_outer::run_reml_outer_on_device`). Returns
272 /// `Some(adm)` when the objective is a REML evaluator whose
273 /// `(spec, n, p, num_rho)` admission predicate accepts the device path,
274 /// and `None` otherwise.
275 ///
276 /// The default returns `None` so non-REML objectives (line-search-only
277 /// inner bridges, screening proxies, the EFS / hybrid-EFS sub-objectives)
278 /// keep the host BFGS branch unconditionally — only the concrete
279 /// REML-state objectives override this to consult
280 /// [`crate::estimate::reml::outer_eval::outer_reml_device_admission`].
281 fn outer_device_admission(&self) -> Option<gam_gpu::policy::RemlOuterAdmission> {
282 None
283 }
284
285 /// Typed scalar continuation contract for repairing a non-finite literal
286 /// outer seed through [`crate::continuation_path::ContinuationPath`].
287 ///
288 /// This is a typed domain-entry capability, not a fallback objective. The
289 /// objective supplies both the smoother entry state and its literal target
290 /// state. `None` means this objective has no such domain homotopy. The
291 /// runner always probes the real seed first, so merely supplying a contract
292 /// performs no waypoint installation or heavy work on a finite seed.
293 fn reactive_domain_scalar_contract(
294 &self,
295 ) -> Result<Option<crate::continuation_path::ContinuationScalarContract>, EstimationError> {
296 Ok(None)
297 }
298
299 /// Install one scalar waypoint before the continuation rho spine evaluates
300 /// the objective. Objectives that return `Some` from
301 /// [`Self::reactive_domain_scalar_contract`] must override this method; the
302 /// default is a typed contract refusal, never a silent no-op.
303 fn install_reactive_domain_scalar_state(
304 &mut self,
305 state: &crate::continuation_path::ContinuationScalarState,
306 ) -> Result<(), EstimationError> {
307 Err(EstimationError::RemlOptimizationFailed(format!(
308 "objective supplied a reactive-domain scalar contract but cannot install its \
309 waypoint (temperature={}, isometry_dim={})",
310 state.assignment_temperature,
311 state.isometry_weights.len(),
312 )))
313 }
314
315 /// Snapshot the objective's complete accepted inner state before a reactive
316 /// coupled waypoint is installed. Contract-advertising objectives must make
317 /// this transactional: a failed trial is restored by
318 /// [`Self::rollback_reactive_domain_waypoint`].
319 fn begin_reactive_domain_waypoint(&mut self) -> Result<(), EstimationError> {
320 Err(EstimationError::RemlOptimizationFailed(
321 "objective supplied a reactive-domain scalar contract but cannot checkpoint a waypoint"
322 .to_string(),
323 ))
324 }
325
326 /// Commit the converged full inner state produced by the value evaluation
327 /// at `rho`. A coefficient-only handoff is insufficient: latent coordinates,
328 /// routing logits, decoder frames, loss, and scalar state must advance as one
329 /// accepted waypoint.
330 fn commit_reactive_domain_waypoint(
331 &mut self,
332 rho: &Array1<f64>,
333 ) -> Result<(), EstimationError> {
334 Err(EstimationError::RemlOptimizationFailed(format!(
335 "objective supplied a reactive-domain scalar contract but cannot commit a waypoint \
336 (rho_dim={})",
337 rho.len(),
338 )))
339 }
340
341 /// Restore the full accepted state saved by
342 /// [`Self::begin_reactive_domain_waypoint`] after an errored or non-finite
343 /// trial.
344 fn rollback_reactive_domain_waypoint(&mut self) -> Result<(), EstimationError> {
345 Err(EstimationError::RemlOptimizationFailed(
346 "objective supplied a reactive-domain scalar contract but cannot roll back a waypoint"
347 .to_string(),
348 ))
349 }
350
351 /// Run the objective's certified curvature-homotopy entry leg, if it has
352 /// one, leaving the inner state warm at the real (`η = 1`) objective.
353 ///
354 /// An objective with a *certified anchor* — a point known by construction to
355 /// be the global optimum of a relaxed problem — can replace the blind
356 /// multi-seed multistart with a single predictor-corrector walk from that
357 /// anchor to the true objective (#1007). The SAE-manifold objective
358 /// overrides this: its `η = 0` base-topology relaxation is convex, and a
359 /// genuine low-rank (Eckart-Young / SVD) residual ceiling is certified by
360 /// `linear_span_anchor` — the `η = 0` endpoint is NOT a linear/affine model
361 /// (for curved bases its base columns still embed curvature); "Eckart-Young"
362 /// names the rank ceiling, not the chart. The walk in `η` tracks the unique
363 /// optimal branch to `η = 1`. The walk monitors the
364 /// arrow-factor min-pivot and halves the `η` step when it shrinks; a pivot
365 /// collapse below tolerance is a DETECTED bifurcation (recorded on the fit
366 /// payload, never silent), at which point the objective falls back to the
367 /// documented multi-seed cascade.
368 ///
369 /// Returns:
370 /// * `None` — no certified anchor; use the standard seed cascade
371 /// (the default for every other objective).
372 /// * `Some(Ok(true))` — the walk arrived; the inner state is warm at the
373 /// certified `η = 1` solution and the seed cascade is bypassed.
374 /// * `Some(Ok(false))` — the anchor degenerated or the walk detected a
375 /// bifurcation; fall back to the multi-seed cascade (the report is
376 /// recorded on the objective for the fit payload).
377 /// * `Some(Err(_))` — a hard failure constructing the anchor.
378 fn curvature_homotopy_entry(
379 &mut self,
380 rho: &Array1<f64>,
381 ) -> Option<Result<bool, EstimationError>> {
382 // Default: no certified anchor — but a non-finite seed is reported
383 // here rather than silently handed to the seed cascade, mirroring the
384 // hard-failure contract of the overriding implementations.
385 if let Some(idx) = rho.iter().position(|v| !v.is_finite()) {
386 return Some(Err(EstimationError::RemlOptimizationFailed(format!(
387 "curvature-homotopy entry received non-finite rho[{idx}]"
388 ))));
389 }
390 None
391 }
392
393 /// Let an objective declare that a seed is already a terminal outer result.
394 /// Used for objectives with a certified high-quality construction seed where
395 /// the generic rho optimizer can only degrade the fitted state.
396 fn accept_seed_without_outer_iterations(
397 &mut self,
398 rho: &Array1<f64>,
399 ) -> Result<Option<f64>, EstimationError> {
400 if rho.is_empty() {
401 return Ok(None);
402 }
403 Ok(None)
404 }
405
406 /// Optional analytic evaluation order that must own the final installed
407 /// objective state, independently of the solver plan that found `rho`.
408 ///
409 /// The default follows the solver (`EFS` finalizes through `eval_efs`,
410 /// BFGS through first order, ARC through second order). Stateful profiled
411 /// objectives may override this when only one evaluator produces the
412 /// ownership payload consumed by fit assembly.
413 fn terminal_eval_order(&self) -> Option<OuterEvalOrder> {
414 None
415 }
416
417 /// Re-install the selected outer result into the mutable objective before
418 /// callers consume objective-owned fitted state. Optimizers may evaluate
419 /// rejected trial points after the best point was found; without this final
420 /// synchronization, stateful objectives can report the last trial fit rather
421 /// than the returned `OuterResult::rho`.
422 fn finalize_outer_result(
423 &mut self,
424 rho: &Array1<f64>,
425 plan: &OuterPlan,
426 ) -> Result<(), EstimationError> {
427 log::debug!(
428 "[OUTER] finalize: re-installing best rho into the objective (solver {:?})",
429 plan.solver
430 );
431 let order = self.terminal_eval_order().or(match plan.solver {
432 Solver::Efs | Solver::HybridEfs => None,
433 Solver::Bfgs => Some(OuterEvalOrder::ValueAndGradient),
434 Solver::Arc => Some(OuterEvalOrder::ValueGradientHessian),
435 });
436 match order {
437 Some(order) => self.eval_with_order(rho, order).map(|_| ()),
438 None => self.eval_efs(rho).map(|_| ()),
439 }
440 }
441}
442
443// ─── Persistent warm-start checkpoint plumbing ────────────────────────
444//
445// `CheckpointingObjective` wraps any `OuterObjective` to write a copy of
446// `(rho, cost, eval_id)` to disk on each finite evaluation. The on-disk
447// [`gam_runtime::warm_start::Session`] rate-limits writes (≥2 s gap unless this iterate
448// strictly improves on the best-so-far) so a tight inner loop never thrashes
449// the filesystem. The same checkpoint is also broadcast to optional mirror
450// sessions, which lets interrupted exact-key runs seed later related fits via
451// their prefix key instead of waiting for a final converged write.
452
453#[derive(serde::Serialize, serde::Deserialize)]
454pub(crate) struct IteratePayload {
455 /// Bump on incompatible payload changes; decode rejects mismatches.
456 schema: u32,
457 pub(crate) rho: Vec<f64>,
458 /// Inner-solver iterate (PIRLS β) captured alongside ρ. The (ρ, β)
459 /// pair lives on the implicit-function manifold β = β*(ρ); restoring
460 /// ρ alone forces the next inner solve to reconstruct β from scratch.
461 /// For saturated ρ (|ρ_i| near `rho_bound`) the inner Hessian
462 /// `X'WX + Σ λ_i S_i` has condition number `≈ e^{2·rho_bound}` — Newton
463 /// degrades to O(1/k) descent and the cycle budget exhausts before
464 /// KKT. Caching β lets the resume start in Newton's quadratic basin
465 /// regardless of where ρ lives. Empty when the family did not surface
466 /// an inner-β hint at write time (still useful as a ρ-only seed).
467 #[serde(default)]
468 pub(crate) beta: Vec<f64>,
469 /// Converged exact outer curvature `H(θ̂)` (full θ×θ, row-major flatten),
470 /// captured alongside the (ρ, β) iterate. A gradient-based BFGS solve does
471 /// not surface its accumulated inverse-Hessian, so the next
472 /// structurally-matching fit (e.g. the next LOSO fold) otherwise restarts
473 /// BFGS from an unscaled identity metric and rediscovers curvature through
474 /// line-search bracketing — multiple full inner-solve value probes per
475 /// accepted outer step. Persisting the converged curvature lets the resume
476 /// seed `InitialMetric::DenseInverseHessian(H⁻¹)` for a quasi-Newton first
477 /// step. Empty when no exact outer Hessian was available at write time
478 /// (still a valid ρ/β seed). `hessian_dim²` must equal `hessian.len()`.
479 #[serde(default)]
480 pub(crate) hessian: Vec<f64>,
481 /// Side length of the square `hessian` matrix (`hessian.len() == dim²`).
482 /// Zero when no Hessian was persisted.
483 #[serde(default)]
484 pub(crate) hessian_dim: usize,
485 pub(crate) cost: f64,
486 eval_id: u64,
487}
488
489/// Entries with a different schema id are rejected by `decode_iterate`
490/// so incompatible on-disk payloads fall through to cold start instead
491/// of seeding the inner solve with a malformed iterate.
492/// Schema 3 invalidates every payload written before outer-Hessian provenance
493/// was tied to the objective's declared analytic capability. In particular,
494/// schema-2 SAE checkpoints may contain the now-deleted finite-difference
495/// curvature and must never influence a resumed quasi-Newton metric (#2253).
496pub(crate) const ITERATE_PAYLOAD_SCHEMA: u32 = 3;
497
498pub(crate) fn encode_iterate(
499 rho: &Array1<f64>,
500 beta: Option<&Array1<f64>>,
501 hessian: Option<&Array2<f64>>,
502 cost: f64,
503 eval_id: u64,
504) -> Option<Vec<u8>> {
505 // Persist the converged outer curvature only when it is square and finite;
506 // a non-finite or non-square Hessian is dropped (the resume falls back to a
507 // ρ/β-only seed) so a malformed curvature can never corrupt a warm start.
508 let (hessian_flat, hessian_dim) = match hessian {
509 Some(h) if h.nrows() == h.ncols() && h.iter().all(|v| v.is_finite()) => {
510 (h.iter().copied().collect::<Vec<f64>>(), h.nrows())
511 }
512 _ => (Vec::new(), 0),
513 };
514 let p = IteratePayload {
515 schema: ITERATE_PAYLOAD_SCHEMA,
516 rho: rho.to_vec(),
517 beta: beta.map(|b| b.to_vec()).unwrap_or_default(),
518 hessian: hessian_flat,
519 hessian_dim,
520 cost,
521 eval_id,
522 };
523 serde_json::to_vec(&p).ok()
524}
525
526pub(crate) fn decode_iterate(bytes: &[u8], expected_rho_dim: usize) -> Option<IteratePayload> {
527 let mut p: IteratePayload = serde_json::from_slice(bytes).ok()?;
528 if p.schema != ITERATE_PAYLOAD_SCHEMA {
529 return None;
530 }
531 if p.rho.len() != expected_rho_dim {
532 return None;
533 }
534 if !p.rho.iter().all(|x| x.is_finite()) || !p.cost.is_finite() {
535 return None;
536 }
537 if !p.beta.iter().all(|x| x.is_finite()) {
538 return None;
539 }
540 // A persisted Hessian must be square (`dim²` entries) and finite to be
541 // usable as a warm-start metric; an inconsistent or non-finite curvature is
542 // scrubbed to "no Hessian" rather than rejecting the whole iterate, so the
543 // ρ/β seed still warms the resume.
544 if p.hessian_dim.saturating_mul(p.hessian_dim) != p.hessian.len()
545 || !p.hessian.iter().all(|x| x.is_finite())
546 {
547 p.hessian = Vec::new();
548 p.hessian_dim = 0;
549 }
550 Some(p)
551}
552
553/// Outcome of inspecting a cache entry as a seed for the outer optimizer.
554///
555/// The classifier rejects only entries that fail structural validity
556/// (wrong dimension, non-finite payload). It does NOT reshape ρ based on
557/// saturation: every finite, well-shaped entry is honored as the next
558/// run's seed.
559///
560/// Previously this enum carried `saturated_coords` / `clamped_to` /
561/// "all-coords-saturated-poisoned-entry" branches that pulled boundary
562/// ρ inward or discarded fully-saturated entries. Those were read-side
563/// band-aids over the real bug: the warm-start contract stored ρ but
564/// not β, so resuming at boundary ρ forced PIRLS to recompute β from
565/// cold-start against a Hessian with condition number `≈ e^{2·rho_bound}`,
566/// and Newton degraded to O(1/k) descent that exhausted the cycle budget.
567///
568/// The contract is now `(ρ, β)`: the current iterate payload carries
569/// both, and [`CheckpointingObjective`] refuses to persist a divergent
570/// inner state (non-finite cost or β). Boundary ρ — when written under
571/// the new invariant — is a *legitimate* finding (the smoothness wants
572/// to be near-null), and the cached β puts the next inner solve at the
573/// previously converged iterate where the gradient is already at zero.
574/// No clamp or shape-based discard is needed.
575#[derive(Debug)]
576pub(crate) enum CacheSeedDecision {
577 ExactFinal {
578 rho: Array1<f64>,
579 /// Optional inner β captured at the converged ρ. Empty when the
580 /// payload didn't carry one (legacy ρ-only writes or families
581 /// that don't surface β).
582 beta: Vec<f64>,
583 iterations: usize,
584 prior_obj_display: f64,
585 },
586 Seed {
587 rho: Array1<f64>,
588 /// Optional inner β to prime the next run's inner solver via
589 /// [`OuterObjective::seed_inner_state`]. When non-empty, the
590 /// dispatcher injects β before the first eval so the inner
591 /// PIRLS opens at zero-gradient regardless of where ρ sits in
592 /// the box.
593 beta: Vec<f64>,
594 /// Optional converged outer Hessian `H(θ̂)` from the prior fit, as a
595 /// `(dim, row-major flatten)` pair. `None` when the payload carried no
596 /// curvature (legacy ρ/β-only writes). Seeds the BFGS iter-0 metric on
597 /// the resume so the first outer step is quasi-Newton.
598 hessian: Option<(usize, Vec<f64>)>,
599 prior_obj_display: f64,
600 iteration: u64,
601 },
602 Discard {
603 reason: &'static str,
604 prior_obj_display: f64,
605 all_rho_finite: Option<bool>,
606 },
607}
608
609pub(crate) fn classify_cache_entry_for_outer(
610 loaded: &gam_runtime::warm_start::LoadedEntry,
611 expected_rho_dim: usize,
612) -> CacheSeedDecision {
613 let entry = &loaded.entry;
614 let Some(payload) = decode_iterate(&entry.payload, expected_rho_dim) else {
615 return CacheSeedDecision::Discard {
616 reason: "payload-shape-mismatch",
617 prior_obj_display: entry.objective.unwrap_or(f64::NAN),
618 all_rho_finite: None,
619 };
620 };
621 let cached_rho = Array1::from_vec(payload.rho);
622 let prior_obj_display = entry.objective.unwrap_or(f64::NAN);
623 if matches!(entry.objective, Some(v) if !v.is_finite()) {
624 return CacheSeedDecision::Discard {
625 reason: "non-finite-payload",
626 prior_obj_display,
627 all_rho_finite: Some(cached_rho.iter().all(|v| v.is_finite())),
628 };
629 }
630 if !cached_rho.iter().all(|v| v.is_finite()) {
631 return CacheSeedDecision::Discard {
632 reason: "non-finite-payload",
633 prior_obj_display,
634 all_rho_finite: Some(false),
635 };
636 }
637 if loaded.source == LoadSource::Exact && entry.kind == gam_runtime::warm_start::EntryKind::Final
638 {
639 return CacheSeedDecision::ExactFinal {
640 rho: cached_rho,
641 beta: payload.beta,
642 iterations: entry
643 .iteration
644 .unwrap_or(payload.eval_id)
645 .min(usize::MAX as u64) as usize,
646 prior_obj_display,
647 };
648 }
649 let hessian = if payload.hessian_dim > 0
650 && payload.hessian.len() == payload.hessian_dim * payload.hessian_dim
651 {
652 Some((payload.hessian_dim, payload.hessian))
653 } else {
654 None
655 };
656 CacheSeedDecision::Seed {
657 rho: cached_rho,
658 beta: payload.beta,
659 hessian,
660 prior_obj_display,
661 iteration: entry.iteration.unwrap_or(payload.eval_id),
662 }
663}
664
665pub fn cache_entry_would_help_outer(
666 loaded: &gam_runtime::warm_start::LoadedEntry,
667 expected_rho_dim: usize,
668) -> bool {
669 matches!(
670 classify_cache_entry_for_outer(loaded, expected_rho_dim),
671 CacheSeedDecision::ExactFinal { .. } | CacheSeedDecision::Seed { .. }
672 )
673}
674
675pub(crate) struct CheckpointingObjective<'a> {
676 inner: &'a mut dyn OuterObjective,
677 session: Arc<CacheSession>,
678 mirror_sessions: Vec<Arc<CacheSession>>,
679 eval_counter: AtomicU64,
680 /// Most-recent inner β surfaced via [`OuterEval::inner_beta_hint`]. The
681 /// finalize path reads this so the `kind: Final` write encodes the
682 /// (ρ, β) pair that the BFGS optimum was actually fitted at — without
683 /// this the finalize would clobber per-eval checkpoint β state with a
684 /// ρ-only payload, reintroducing the cold-β resume failure.
685 last_inner_beta: std::sync::Mutex<Option<Array1<f64>>>,
686 /// True only while the typed reactive-domain path evaluates an
687 /// initialization waypoint. Those waypoints are transactional means of
688 /// reaching the literal requested model, not candidate outer iterates, so
689 /// they must never become persistent restart seeds.
690 reactive_waypoint_active: AtomicBool,
691}
692
693impl<'a> CheckpointingObjective<'a> {
694 pub(crate) fn new(
695 inner: &'a mut dyn OuterObjective,
696 session: Arc<CacheSession>,
697 mirror_sessions: Vec<Arc<CacheSession>>,
698 ) -> Self {
699 Self {
700 inner,
701 session,
702 mirror_sessions,
703 eval_counter: AtomicU64::new(0),
704 last_inner_beta: std::sync::Mutex::new(None),
705 reactive_waypoint_active: AtomicBool::new(false),
706 }
707 }
708
709 pub(crate) fn last_inner_beta(&self) -> Option<Array1<f64>> {
710 self.last_inner_beta.lock().ok().and_then(|g| g.clone())
711 }
712
713 fn note(&self, rho: &Array1<f64>, beta: Option<&Array1<f64>>, cost: f64) {
714 if self.reactive_waypoint_active.load(Ordering::Relaxed) {
715 return;
716 }
717 if !cost.is_finite() {
718 return;
719 }
720 // If β is provided, require it to be finite; non-finite β is a
721 // divergent inner state — persisting it would re-poison the cache.
722 if let Some(b) = beta {
723 if !b.iter().all(|v| v.is_finite()) {
724 return;
725 }
726 if let Ok(mut guard) = self.last_inner_beta.lock() {
727 *guard = Some(b.clone());
728 }
729 }
730 let i = self.eval_counter.fetch_add(1, Ordering::Relaxed);
731 // Per-eval checkpoints carry no converged outer Hessian (curvature is
732 // only meaningful at the final optimum); the finalize write is where the
733 // converged `H(θ̂)` is persisted for cross-fit warm starts.
734 if let Some(bytes) = encode_iterate(rho, beta, None, cost, i) {
735 self.session.checkpoint(&bytes, Some(cost), Some(i));
736 for mirror in &self.mirror_sessions {
737 mirror.checkpoint(&bytes, Some(cost), Some(i));
738 }
739 }
740 }
741}
742
743impl<'a> OuterObjective for CheckpointingObjective<'a> {
744 fn capability(&self) -> OuterCapability {
745 self.inner.capability()
746 }
747
748 fn eval_cost(&mut self, rho: &Array1<f64>) -> Result<f64, EstimationError> {
749 let v = self.inner.eval_cost(rho)?;
750 // `eval_cost` carries no inner-β handle — persist ρ-only.
751 self.note(rho, None, v);
752 Ok(v)
753 }
754
755 fn eval_screening_proxy(&mut self, rho: &Array1<f64>) -> Result<f64, EstimationError> {
756 // Screening proxies run at sub-converged β̂ and aren't a meaningful
757 // best-so-far signal; forward without persisting.
758 self.inner.eval_screening_proxy(rho)
759 }
760
761 fn eval(&mut self, rho: &Array1<f64>) -> Result<OuterEval, EstimationError> {
762 let r = self.inner.eval(rho)?;
763 self.note(rho, r.inner_beta_hint.as_ref(), r.cost);
764 Ok(r)
765 }
766
767 fn eval_with_order(
768 &mut self,
769 rho: &Array1<f64>,
770 order: OuterEvalOrder,
771 ) -> Result<OuterEval, EstimationError> {
772 let r = self.inner.eval_with_order(rho, order)?;
773 self.note(rho, r.inner_beta_hint.as_ref(), r.cost);
774 Ok(r)
775 }
776
777 fn eval_efs(&mut self, rho: &Array1<f64>) -> Result<EfsEval, EstimationError> {
778 let r = self.inner.eval_efs(rho)?;
779 // EfsEval has no inner-β hint surface yet — persist ρ-only.
780 self.note(rho, None, r.cost);
781 Ok(r)
782 }
783
784 fn eval_fixed_point_certificate(
785 &mut self,
786 rho: &Array1<f64>,
787 ) -> Result<FixedPointCertificateEval, EstimationError> {
788 let r = self.inner.eval_fixed_point_certificate(rho)?;
789 self.note(rho, None, r.cost);
790 Ok(r)
791 }
792
793 fn seed_inner_state(&mut self, beta: &Array1<f64>) -> Result<SeedOutcome, EstimationError> {
794 // Forward to the wrapped objective, then prime our last-inner-beta
795 // cache so a subsequent finalize-write encodes the seeded β if no
796 // eval surfaces a fresher β first. Only prime on actual install —
797 // `NoSlot` means the inner solver will not see β, so the cache
798 // entry would be a lie.
799 let result = self.inner.seed_inner_state(beta);
800 if matches!(result, Ok(SeedOutcome::Installed))
801 && beta.iter().all(|v| v.is_finite())
802 && let Ok(mut guard) = self.last_inner_beta.lock()
803 {
804 *guard = Some(beta.clone());
805 }
806 result
807 }
808
809 fn terminal_eval_order(&self) -> Option<OuterEvalOrder> {
810 self.inner.terminal_eval_order()
811 }
812
813 fn owns_terminal_coefficient_mode(&self) -> bool {
814 // Forward the wrapped objective's ownership: the terminal reset must
815 // still fire for a cap-less mode owner (e.g. a custom family) when its
816 // fit routes through a cache session and is wrapped here (#2334).
817 self.inner.owns_terminal_coefficient_mode()
818 }
819
820 fn reactive_domain_scalar_contract(
821 &self,
822 ) -> Result<Option<crate::continuation_path::ContinuationScalarContract>, EstimationError> {
823 self.inner.reactive_domain_scalar_contract()
824 }
825
826 fn install_reactive_domain_scalar_state(
827 &mut self,
828 state: &crate::continuation_path::ContinuationScalarState,
829 ) -> Result<(), EstimationError> {
830 self.inner.install_reactive_domain_scalar_state(state)
831 }
832
833 fn begin_reactive_domain_waypoint(&mut self) -> Result<(), EstimationError> {
834 self.inner.begin_reactive_domain_waypoint()?;
835 self.reactive_waypoint_active
836 .store(true, Ordering::Relaxed);
837 Ok(())
838 }
839
840 fn commit_reactive_domain_waypoint(
841 &mut self,
842 rho: &Array1<f64>,
843 ) -> Result<(), EstimationError> {
844 let result = self.inner.commit_reactive_domain_waypoint(rho);
845 self.reactive_waypoint_active
846 .store(false, Ordering::Relaxed);
847 result
848 }
849
850 fn rollback_reactive_domain_waypoint(&mut self) -> Result<(), EstimationError> {
851 let result = self.inner.rollback_reactive_domain_waypoint();
852 self.reactive_waypoint_active
853 .store(false, Ordering::Relaxed);
854 result
855 }
856
857 fn reset(&mut self) {
858 self.reactive_waypoint_active
859 .store(false, Ordering::Relaxed);
860 self.inner.reset();
861 }
862
863 fn begin_exact_polish(&mut self) -> bool {
864 self.inner.begin_exact_polish()
865 }
866}
867
868/// Closure-based adapter for [`OuterObjective`].
869///
870/// This allows any call site to construct an `OuterObjective` from closures
871/// without needing to define a wrapper struct or modify the state type.
872/// Each call site wraps its existing methods into closures and passes them here.
873pub struct ClosureObjective<
874 S,
875 Fc,
876 Fe,
877 Fr = fn(&mut S),
878 Fefs = fn(&mut S, &Array1<f64>) -> Result<EfsEval, EstimationError>,
879 Feo = fn(&mut S, &Array1<f64>, OuterEvalOrder) -> Result<OuterEval, EstimationError>,
880 Fsp = fn(&mut S, &Array1<f64>) -> Result<f64, EstimationError>,
881 Fseed = fn(&mut S, &Array1<f64>) -> Result<SeedOutcome, EstimationError>,
882> {
883 pub state: S,
884 pub(crate) cap: OuterCapability,
885 pub(crate) cost_fn: Fc,
886 pub(crate) eval_fn: Fe,
887 /// Optional order-aware eval closure. When `None`, `eval_with_order()`
888 /// falls back to `eval()`.
889 pub(crate) eval_order_fn: Option<Feo>,
890 /// Optional reset closure. When `None`, `reset()` is a no-op.
891 pub(crate) reset_fn: Option<Fr>,
892 /// Optional EFS evaluation closure. When `None`, the default
893 /// `OuterObjective::eval_efs` returns an error.
894 pub(crate) efs_fn: Option<Fefs>,
895 pub(crate) fixed_point_certificate_fn: Option<
896 Box<dyn FnMut(&mut S, &Array1<f64>) -> Result<FixedPointCertificateEval, EstimationError>>,
897 >,
898 /// Optional single-shot transition from an approximate derivative pilot to
899 /// the exact objective measure.
900 pub(crate) exact_polish_fn: Option<Box<dyn FnMut(&mut S) -> bool>>,
901 /// Optional seed-screening ranking proxy closure. When `None`,
902 /// `eval_screening_proxy()` falls back to `eval_cost()` (the trait
903 /// default), preserving legacy behavior for non-REML objectives.
904 pub(crate) screening_proxy_fn: Option<Fsp>,
905 /// Optional inner-state seeding closure. Objectives with PIRLS / Newton
906 /// inner state install cached β here before the first outer eval.
907 pub(crate) seed_fn: Option<Fseed>,
908 /// Analytic evaluator that must install the terminal owned state even when
909 /// the selected optimization plan itself used EFS.
910 pub(crate) terminal_eval_order: Option<OuterEvalOrder>,
911}
912
913impl<S, Fc, Fe, Fr, Fefs, Feo, Fsp, Fseed> OuterObjective
914 for ClosureObjective<S, Fc, Fe, Fr, Fefs, Feo, Fsp, Fseed>
915where
916 Fc: FnMut(&mut S, &Array1<f64>) -> Result<f64, EstimationError>,
917 Fe: FnMut(&mut S, &Array1<f64>) -> Result<OuterEval, EstimationError>,
918 Fr: FnMut(&mut S),
919 Fefs: FnMut(&mut S, &Array1<f64>) -> Result<EfsEval, EstimationError>,
920 Feo: FnMut(&mut S, &Array1<f64>, OuterEvalOrder) -> Result<OuterEval, EstimationError>,
921 Fsp: FnMut(&mut S, &Array1<f64>) -> Result<f64, EstimationError>,
922 Fseed: FnMut(&mut S, &Array1<f64>) -> Result<SeedOutcome, EstimationError>,
923{
924 fn capability(&self) -> OuterCapability {
925 self.cap.clone()
926 }
927
928 fn eval_cost(&mut self, rho: &Array1<f64>) -> Result<f64, EstimationError> {
929 crate::estimate::reml::outer_eval::record_current_outer_theta_for_ift(rho);
930 (self.cost_fn)(&mut self.state, rho)
931 }
932
933 fn eval_screening_proxy(&mut self, rho: &Array1<f64>) -> Result<f64, EstimationError> {
934 crate::estimate::reml::outer_eval::record_current_outer_theta_for_ift(rho);
935 match self.screening_proxy_fn.as_mut() {
936 Some(f) => f(&mut self.state, rho),
937 None => (self.cost_fn)(&mut self.state, rho),
938 }
939 }
940
941 fn eval(&mut self, rho: &Array1<f64>) -> Result<OuterEval, EstimationError> {
942 crate::estimate::reml::outer_eval::record_current_outer_theta_for_ift(rho);
943 (self.eval_fn)(&mut self.state, rho)
944 }
945
946 fn eval_with_order(
947 &mut self,
948 rho: &Array1<f64>,
949 order: OuterEvalOrder,
950 ) -> Result<OuterEval, EstimationError> {
951 crate::estimate::reml::outer_eval::record_current_outer_theta_for_ift(rho);
952 match self.eval_order_fn.as_mut() {
953 Some(f) => f(&mut self.state, rho, order),
954 None => (self.eval_fn)(&mut self.state, rho),
955 }
956 }
957
958 fn eval_efs(&mut self, rho: &Array1<f64>) -> Result<EfsEval, EstimationError> {
959 crate::estimate::reml::outer_eval::record_current_outer_theta_for_ift(rho);
960 match self.efs_fn.as_mut() {
961 Some(f) => f(&mut self.state, rho),
962 None => Err(EstimationError::RemlOptimizationFailed(
963 "EFS evaluation not implemented for this objective".to_string(),
964 )),
965 }
966 }
967
968 fn eval_fixed_point_certificate(
969 &mut self,
970 rho: &Array1<f64>,
971 ) -> Result<FixedPointCertificateEval, EstimationError> {
972 crate::estimate::reml::outer_eval::record_current_outer_theta_for_ift(rho);
973 match self.fixed_point_certificate_fn.as_mut() {
974 Some(f) => f(&mut self.state, rho),
975 None => Err(EstimationError::RemlOptimizationFailed(
976 "fixed-point certification not implemented for this closure objective".to_string(),
977 )),
978 }
979 }
980
981 fn seed_inner_state(&mut self, beta: &Array1<f64>) -> Result<SeedOutcome, EstimationError> {
982 // Empty β: by convention, "no warm-start available" — treat as a
983 // no-op install. Distinct from `NoSlot` because the objective may
984 // very well have a slot; the caller just didn't supply a β to fill
985 // it. Reporting `Installed` is correct: the slot's pre-existing
986 // state (cold default) is the post-seed state.
987 if beta.is_empty() {
988 return Ok(SeedOutcome::Installed);
989 }
990 match self.seed_fn.as_mut() {
991 Some(f) => f(&mut self.state, beta),
992 // No hook installed — the objective owns no inner-β slot.
993 // The caller decides whether this is a loud cache-provenance
994 // event or a silent continuation-walk degradation.
995 None => Ok(SeedOutcome::NoSlot),
996 }
997 }
998
999 fn terminal_eval_order(&self) -> Option<OuterEvalOrder> {
1000 self.terminal_eval_order
1001 }
1002
1003 fn reset(&mut self) {
1004 if let Some(f) = self.reset_fn.as_mut() {
1005 f(&mut self.state);
1006 }
1007 }
1008
1009 fn owns_terminal_coefficient_mode(&self) -> bool {
1010 // A forced terminal eval order is set *precisely* to install this
1011 // objective's owned coefficient mode through one analytic evaluator at
1012 // `rho_star` (see `terminal_eval_order`'s field doc and
1013 // `with_terminal_eval_order`). So `terminal_eval_order.is_some()` is the
1014 // existing, single-source-of-truth marker that this closure objective
1015 // owns a terminal coefficient mode — no separate flag to keep in sync.
1016 // Only the custom-family builder sets it; every other closure objective
1017 // (REML search proxies, reactive fixtures) leaves it `None` and keeps
1018 // the default `false`.
1019 self.terminal_eval_order.is_some()
1020 }
1021
1022 fn begin_exact_polish(&mut self) -> bool {
1023 self.exact_polish_fn
1024 .as_mut()
1025 .is_some_and(|transition| transition(&mut self.state))
1026 }
1027}
1028
1029impl<S, Fc, Fe, Fr, Fefs, Feo, Fsp, Fseed> ClosureObjective<S, Fc, Fe, Fr, Fefs, Feo, Fsp, Fseed> {
1030 pub fn with_exact_polish<Fpolish>(mut self, transition: Fpolish) -> Self
1031 where
1032 Fpolish: FnMut(&mut S) -> bool + 'static,
1033 {
1034 self.exact_polish_fn = Some(Box::new(transition));
1035 self
1036 }
1037
1038 /// Force final state installation through one analytic evaluator order.
1039 /// Search-time solver selection remains unchanged.
1040 pub fn with_terminal_eval_order(mut self, order: OuterEvalOrder) -> Self {
1041 self.terminal_eval_order = Some(order);
1042 self
1043 }
1044}
1045
1046impl<S, Fc, Fe, Fr, Fefs, Feo, Fsp> ClosureObjective<S, Fc, Fe, Fr, Fefs, Feo, Fsp>
1047where
1048 Fc: FnMut(&mut S, &Array1<f64>) -> Result<f64, EstimationError>,
1049 Fe: FnMut(&mut S, &Array1<f64>) -> Result<OuterEval, EstimationError>,
1050 Fr: FnMut(&mut S),
1051 Fefs: FnMut(&mut S, &Array1<f64>) -> Result<EfsEval, EstimationError>,
1052 Feo: FnMut(&mut S, &Array1<f64>, OuterEvalOrder) -> Result<OuterEval, EstimationError>,
1053 Fsp: FnMut(&mut S, &Array1<f64>) -> Result<f64, EstimationError>,
1054{
1055 pub fn with_fixed_point_certificate<Fcert>(mut self, certificate_fn: Fcert) -> Self
1056 where
1057 Fcert: FnMut(&mut S, &Array1<f64>) -> Result<FixedPointCertificateEval, EstimationError>
1058 + 'static,
1059 {
1060 self.fixed_point_certificate_fn = Some(Box::new(certificate_fn));
1061 self
1062 }
1063
1064 pub fn with_seed_inner_state<Fseed>(
1065 self,
1066 seed_fn: Fseed,
1067 ) -> ClosureObjective<S, Fc, Fe, Fr, Fefs, Feo, Fsp, Fseed>
1068 where
1069 Fseed: FnMut(&mut S, &Array1<f64>) -> Result<SeedOutcome, EstimationError>,
1070 {
1071 ClosureObjective {
1072 state: self.state,
1073 cap: self.cap,
1074 cost_fn: self.cost_fn,
1075 eval_fn: self.eval_fn,
1076 eval_order_fn: self.eval_order_fn,
1077 reset_fn: self.reset_fn,
1078 efs_fn: self.efs_fn,
1079 fixed_point_certificate_fn: self.fixed_point_certificate_fn,
1080 exact_polish_fn: self.exact_polish_fn,
1081 screening_proxy_fn: self.screening_proxy_fn,
1082 seed_fn: Some(seed_fn),
1083 terminal_eval_order: self.terminal_eval_order,
1084 }
1085 }
1086}
1087
1088/// Distinctive signature of a custom-family inner solve that did not reach its
1089/// KKT fixed point, emitted by `psi_hyper` when it refuses to expose profile
1090/// objective derivatives at a non-stationary β̂ (crates/gam-custom-family/src/
1091/// psi_hyper.rs). The analytic outer gradient/Hessian require the inner KKT
1092/// equation `F_β(β, θ) = 0`; when the inner solve stalls at a particular ρ that
1093/// equation is unmet, so the trial is INFEASIBLE **at that ρ** — not a
1094/// structural defect of the problem.
1095pub(crate) const INNER_DERIVATIVE_KKT_REFUSAL_MARKER: &str =
1096 "refusing to expose profile objective derivatives";
1097
1098pub(crate) fn into_objective_error(context: &str, err: EstimationError) -> ObjectiveEvalError {
1099 let message = format!("{context}: {err}");
1100 // #2358: a non-stationary custom-family inner solve at THIS ρ is a
1101 // RECOVERABLE infeasibility (cost = ∞), not a fatal failure of the whole
1102 // outer evaluation. Routing it through `Recoverable` lets the outer
1103 // optimizer treat the trial as `OuterEval::infeasible` and BACK OFF to a
1104 // feasible optimum (interior line-search / gradient path) or reject an
1105 // infeasible seed and try the next one (seed-screening path) — the same
1106 // `OuterEval::infeasible` mechanism the value-probe path already relies on.
1107 // Previously EVERY objective error (including this per-ρ inner
1108 // non-convergence) was classified `Fatal`: a single non-convergent interior
1109 // ρ then aborted the entire fit even though the optimizer already held a
1110 // feasible optimum to fall back to (the location-scale gagurine `tp` fit).
1111 // Any ρ where the inner solve does reach stationarity is unaffected — it
1112 // never carries this marker.
1113 //
1114 // This is necessary but not always sufficient: a fit whose EVERY seed is
1115 // inner-infeasible (e.g. the wiggle two-block reference-flow, whose joint
1116 // Newton trust region collapses on the coupled mean/log-σ/wiggle blocks)
1117 // still fails, now with an honest "no candidate seeds passed validation"
1118 // instead of a fatal abort. Repairing that inner collapse is separate.
1119 if message.contains(INNER_DERIVATIVE_KKT_REFUSAL_MARKER) {
1120 ObjectiveEvalError::recoverable(message)
1121 } else {
1122 ObjectiveEvalError::fatal(message)
1123 }
1124}
1125
1126pub(crate) fn finite_cost_or_error(context: &str, cost: f64) -> Result<f64, ObjectiveEvalError> {
1127 if cost.is_finite() {
1128 Ok(cost)
1129 } else {
1130 Err(ObjectiveEvalError::recoverable(format!(
1131 "{context}: objective returned a non-finite cost"
1132 )))
1133 }
1134}
1135
1136/// Shared first-order validation: gradient length, finite cost, finite gradient.
1137///
1138/// Extracted so the cost+gradient checks live in exactly one place — both the
1139/// full (`finite_outer_eval_or_error`) and first-order
1140/// (`finite_outer_first_order_eval_or_error`) validators delegate here, keeping
1141/// their error messages and check order bit-for-bit identical.
1142fn validate_outer_first_order(
1143 context: &str,
1144 layout: OuterThetaLayout,
1145 eval: &OuterEval,
1146) -> Result<(), ObjectiveEvalError> {
1147 layout.validate_gradient_len(&eval.gradient, context)?;
1148 if !eval.cost.is_finite() {
1149 return Err(ObjectiveEvalError::recoverable(format!(
1150 "{context}: objective returned a non-finite cost"
1151 )));
1152 }
1153 if !eval.gradient.iter().all(|v| v.is_finite()) {
1154 return Err(ObjectiveEvalError::recoverable(format!(
1155 "{context}: objective returned a non-finite gradient"
1156 )));
1157 }
1158 Ok(())
1159}
1160
1161pub(crate) fn finite_outer_eval_or_error(
1162 context: &str,
1163 layout: OuterThetaLayout,
1164 eval: OuterEval,
1165) -> Result<OuterEval, ObjectiveEvalError> {
1166 validate_outer_first_order(context, layout, &eval)?;
1167 match &eval.hessian {
1168 HessianValue::Dense(hessian) => {
1169 layout.validate_hessian_shape(hessian, context)?;
1170 if !hessian.iter().all(|v| v.is_finite()) {
1171 return Err(ObjectiveEvalError::recoverable(format!(
1172 "{context}: objective returned a non-finite Hessian"
1173 )));
1174 }
1175 }
1176 HessianValue::Operator(op) => {
1177 if op.dim() != layout.n_params {
1178 return Err(ObjectiveEvalError::recoverable(format!(
1179 "{context}: outer Hessian operator dimension mismatch: got {}, expected {} (rho_dim={}, psi_dim={})",
1180 op.dim(),
1181 layout.n_params,
1182 layout.rho_dim(),
1183 layout.psi_dim
1184 )));
1185 }
1186 }
1187 HessianValue::Unavailable => {}
1188 }
1189 Ok(eval)
1190}
1191
1192pub(crate) fn finite_outer_first_order_eval_or_error(
1193 context: &str,
1194 layout: OuterThetaLayout,
1195 eval: OuterEval,
1196) -> Result<OuterEval, ObjectiveEvalError> {
1197 validate_outer_first_order(context, layout, &eval)?;
1198 Ok(eval)
1199}
1200
1201pub(crate) fn validate_second_order_seed_hessian(
1202 context: &str,
1203 layout: OuterThetaLayout,
1204 eval: &OuterEval,
1205) -> Result<(), ObjectiveEvalError> {
1206 if layout.n_params > SECOND_ORDER_GEOMETRY_PROBE_MAX_PARAMS || !eval.hessian.is_analytic() {
1207 return Ok(());
1208 }
1209 if matches!(
1210 &eval.hessian,
1211 HessianValue::Operator(op) if !op.materialization().is_available()
1212 ) {
1213 return Ok(());
1214 }
1215
1216 let Some(hessian) = eval.hessian.materialize_dense().map_err(|error| {
1217 ObjectiveEvalError::recoverable(format!(
1218 "{context}: analytic outer Hessian materialization failed during second-order seed validation: {error}"
1219 ))
1220 })?
1221 else {
1222 return Ok(());
1223 };
1224
1225 layout.validate_hessian_shape(&hessian, context)?;
1226 if !hessian.iter().all(|value| value.is_finite()) {
1227 return Err(ObjectiveEvalError::recoverable(format!(
1228 "{context}: analytic outer Hessian probe encountered non-finite entries"
1229 )));
1230 }
1231
1232 Ok(())
1233}
1234
1235// ─── Permutation-invariant outer coordinate canonicalization ──────────
1236//
1237// The additive-term-order (#1539) and tensor-margin-order (#1538) invariance
1238// bugs share one root cause: the outer smoothing-parameter optimizer resolves
1239// a flat double-penalty REML valley differently depending on the ORDER the
1240// penalty blocks are presented (seed placement, multistart, and tie-breaking
1241// all operate in native penalty-index order). The design and penalty are
1242// symmetric up to a block permutation, so the cure is permutation-invariance
1243// by construction: present the optimizer an identical CANONICAL coordinate
1244// layout regardless of native order, then map the optimized ρ back.
1245//
1246// The canonical order is a stable sort of the native coordinates by their
1247// structural key (see `PenaltyCoordinate::canonical_structural_key`), which is
1248// derived purely from each penalty's rotation-/placement-invariant content —
1249// never from its native position. Two formula orders therefore yield the SAME
1250// canonical layout, so the optimizer's seeding/multistart/tie-break all run on
1251// byte-identical coordinates and select identical λ̂.
1252
1253/// Canonical→native index map: `perm[c]` is the native coordinate placed at
1254/// canonical position `c`.
1255///
1256/// Returns `None` when the keys are already in canonical order (the permutation
1257/// is the identity), so the legacy native-order path runs untouched.
1258pub(crate) fn canonical_permutation(keys: &[u64]) -> Option<Vec<usize>> {
1259 let n = keys.len();
1260 if n <= 1 {
1261 return None;
1262 }
1263 let mut perm: Vec<usize> = (0..n).collect();
1264 // Stable sort by structural key. Ties (structurally interchangeable
1265 // coordinates) keep their native relative order — harmless precisely
1266 // because tied coordinates produce identical fits under any assignment.
1267 perm.sort_by_key(|&i| keys[i]);
1268 if perm.iter().enumerate().all(|(c, &i)| c == i) {
1269 None
1270 } else {
1271 Some(perm)
1272 }
1273}
1274
1275/// Reorder a native-layout ρ vector into canonical order: `out[c] = native[perm[c]]`.
1276fn permute_to_canonical(native: &Array1<f64>, perm: &[usize]) -> Array1<f64> {
1277 Array1::from_iter(perm.iter().map(|&i| native[i]))
1278}
1279
1280/// Reorder a canonical-layout ρ vector back into native order:
1281/// `out[perm[c]] = canonical[c]`.
1282fn permute_to_native(canonical: &Array1<f64>, perm: &[usize]) -> Array1<f64> {
1283 let mut out = Array1::zeros(canonical.len());
1284 for (c, &i) in perm.iter().enumerate() {
1285 out[i] = canonical[c];
1286 }
1287 out
1288}
1289
1290/// Map an `OuterResult` produced in CANONICAL coordinate order back to the
1291/// objective's native layout, in place. Permutes every per-coordinate array
1292/// (ρ, gradient, Hessian) consistently; scalar and diagnostic fields are
1293/// untouched.
1294pub(crate) fn outer_result_to_native(mut result: OuterResult, perm: &[usize]) -> OuterResult {
1295 if result.rho.len() == perm.len() {
1296 result.rho = permute_to_native(&result.rho, perm);
1297 }
1298 if let Some(g) = result.final_gradient.as_ref()
1299 && g.len() == perm.len()
1300 {
1301 result.final_gradient = Some(permute_to_native(g, perm));
1302 }
1303 if let Some(h) = result.final_hessian.as_ref()
1304 && h.nrows() == perm.len()
1305 && h.ncols() == perm.len()
1306 {
1307 // H_native[perm[a], perm[b]] = H_canon[a, b].
1308 let mut hn = Array2::<f64>::zeros((perm.len(), perm.len()));
1309 for (a, &ia) in perm.iter().enumerate() {
1310 for (b, &ib) in perm.iter().enumerate() {
1311 hn[[ia, ib]] = h[[a, b]];
1312 }
1313 }
1314 result.final_hessian = Some(hn);
1315 }
1316 result
1317}
1318
1319/// Wraps any [`OuterObjective`] so the optimizer can work in a CANONICAL
1320/// coordinate order while the wrapped objective continues to receive ρ in its
1321/// NATIVE order. The optimizer hands canonical ρ to this wrapper; the wrapper
1322/// permutes canonical→native before forwarding to the inner objective, so the
1323/// inner objective (and any checkpointing/cache layer beneath it) sees native
1324/// ρ exactly as before. Capability shape (`n_params`, `psi_dim`, …) is
1325/// unchanged — only coordinate order differs.
1326pub(crate) struct CanonicalizedObjective<'a> {
1327 inner: &'a mut dyn OuterObjective,
1328 /// Canonical→native map: `perm[c]` is the native index at canonical slot `c`.
1329 perm: Vec<usize>,
1330}
1331
1332impl<'a> CanonicalizedObjective<'a> {
1333 pub(crate) fn new(inner: &'a mut dyn OuterObjective, perm: Vec<usize>) -> Self {
1334 Self { inner, perm }
1335 }
1336
1337 #[inline]
1338 fn to_native(&self, canonical: &Array1<f64>) -> Array1<f64> {
1339 if canonical.len() == self.perm.len() {
1340 permute_to_native(canonical, &self.perm)
1341 } else {
1342 // Defensive: a length the permutation does not cover is forwarded
1343 // verbatim rather than corrupted (should not occur for ρ-coords).
1344 canonical.clone()
1345 }
1346 }
1347
1348 /// Map a native-order eval (gradient/Hessian) back into canonical order so
1349 /// the optimizer sees a self-consistent canonical objective.
1350 fn eval_to_canonical(&self, mut eval: OuterEval) -> OuterEval {
1351 if eval.gradient.len() == self.perm.len() {
1352 eval.gradient = permute_to_canonical(&eval.gradient, &self.perm);
1353 }
1354 eval.hessian = match eval.hessian {
1355 HessianValue::Dense(h)
1356 if h.nrows() == self.perm.len() && h.ncols() == self.perm.len() =>
1357 {
1358 let mut hc = Array2::<f64>::zeros((self.perm.len(), self.perm.len()));
1359 for (a, &ia) in self.perm.iter().enumerate() {
1360 for (b, &ib) in self.perm.iter().enumerate() {
1361 hc[[a, b]] = h[[ia, ib]];
1362 }
1363 }
1364 HessianValue::Dense(hc)
1365 }
1366 other => other,
1367 };
1368 // `inner_beta_hint` is in the coefficient basis (not ρ-coordinate
1369 // order), so it is forwarded unchanged.
1370 eval
1371 }
1372}
1373
1374impl<'a> OuterObjective for CanonicalizedObjective<'a> {
1375 fn capability(&self) -> OuterCapability {
1376 self.inner.capability()
1377 }
1378
1379 fn terminal_eval_order(&self) -> Option<OuterEvalOrder> {
1380 self.inner.terminal_eval_order()
1381 }
1382
1383 fn owns_terminal_coefficient_mode(&self) -> bool {
1384 // Forward through the canonicalizing permutation wrapper so a cap-less
1385 // mode owner (e.g. a custom family) still gets the terminal reset when
1386 // its outer search runs in a non-identity canonical coordinate layout
1387 // (#2334). Ownership is coordinate-order-invariant.
1388 self.inner.owns_terminal_coefficient_mode()
1389 }
1390
1391 fn eval_cost(&mut self, rho: &Array1<f64>) -> Result<f64, EstimationError> {
1392 let native = self.to_native(rho);
1393 self.inner.eval_cost(&native)
1394 }
1395
1396 fn eval_screening_proxy(&mut self, rho: &Array1<f64>) -> Result<f64, EstimationError> {
1397 let native = self.to_native(rho);
1398 self.inner.eval_screening_proxy(&native)
1399 }
1400
1401 fn eval(&mut self, rho: &Array1<f64>) -> Result<OuterEval, EstimationError> {
1402 let native = self.to_native(rho);
1403 let eval = self.inner.eval(&native)?;
1404 Ok(self.eval_to_canonical(eval))
1405 }
1406
1407 fn eval_with_order(
1408 &mut self,
1409 rho: &Array1<f64>,
1410 order: OuterEvalOrder,
1411 ) -> Result<OuterEval, EstimationError> {
1412 let native = self.to_native(rho);
1413 let eval = self.inner.eval_with_order(&native, order)?;
1414 Ok(self.eval_to_canonical(eval))
1415 }
1416
1417 fn eval_efs(&mut self, rho: &Array1<f64>) -> Result<EfsEval, EstimationError> {
1418 let native = self.to_native(rho);
1419 let mut efs = self.inner.eval_efs(&native)?;
1420 // `steps` has one entry per θ-coordinate (length = n_rho + n_ext). The
1421 // canonical permutation covers only the leading ρ-coordinate block, so
1422 // map exactly those native→canonical; any trailing ψ/ext steps keep
1423 // their position (the canonicalized path is ρ-only, psi_dim == 0).
1424 let m = self.perm.len();
1425 if efs.steps.len() >= m {
1426 let leading = Array1::from_iter(efs.steps.iter().take(m).copied());
1427 let canon_leading = permute_to_canonical(&leading, &self.perm);
1428 for (c, v) in canon_leading.iter().enumerate() {
1429 efs.steps[c] = *v;
1430 }
1431 }
1432 Ok(efs)
1433 }
1434
1435 fn eval_fixed_point_certificate(
1436 &mut self,
1437 rho: &Array1<f64>,
1438 ) -> Result<FixedPointCertificateEval, EstimationError> {
1439 let native = self.to_native(rho);
1440 let mut evaluation = self.inner.eval_fixed_point_certificate(&native)?;
1441 if evaluation.coordinates.len() == self.perm.len() {
1442 evaluation.coordinates = self
1443 .perm
1444 .iter()
1445 .map(|&native_index| evaluation.coordinates[native_index].clone())
1446 .collect();
1447 }
1448 Ok(evaluation)
1449 }
1450
1451 fn reset(&mut self) {
1452 self.inner.reset();
1453 }
1454
1455 fn begin_exact_polish(&mut self) -> bool {
1456 self.inner.begin_exact_polish()
1457 }
1458
1459 fn seed_inner_state(&mut self, beta: &Array1<f64>) -> Result<SeedOutcome, EstimationError> {
1460 // β is in the coefficient basis, not ρ-coordinate order — forward as-is.
1461 self.inner.seed_inner_state(beta)
1462 }
1463
1464 fn reactive_domain_scalar_contract(
1465 &self,
1466 ) -> Result<Option<crate::continuation_path::ContinuationScalarContract>, EstimationError> {
1467 self.inner.reactive_domain_scalar_contract()
1468 }
1469
1470 fn install_reactive_domain_scalar_state(
1471 &mut self,
1472 state: &crate::continuation_path::ContinuationScalarState,
1473 ) -> Result<(), EstimationError> {
1474 self.inner.install_reactive_domain_scalar_state(state)
1475 }
1476
1477 fn begin_reactive_domain_waypoint(&mut self) -> Result<(), EstimationError> {
1478 self.inner.begin_reactive_domain_waypoint()
1479 }
1480
1481 fn commit_reactive_domain_waypoint(
1482 &mut self,
1483 rho: &Array1<f64>,
1484 ) -> Result<(), EstimationError> {
1485 let native = self.to_native(rho);
1486 self.inner.commit_reactive_domain_waypoint(&native)
1487 }
1488
1489 fn rollback_reactive_domain_waypoint(&mut self) -> Result<(), EstimationError> {
1490 self.inner.rollback_reactive_domain_waypoint()
1491 }
1492
1493 fn accept_seed_without_outer_iterations(
1494 &mut self,
1495 rho: &Array1<f64>,
1496 ) -> Result<Option<f64>, EstimationError> {
1497 let native = self.to_native(rho);
1498 self.inner.accept_seed_without_outer_iterations(&native)
1499 }
1500
1501 fn curvature_homotopy_entry(
1502 &mut self,
1503 rho: &Array1<f64>,
1504 ) -> Option<Result<bool, EstimationError>> {
1505 let native = self.to_native(rho);
1506 self.inner.curvature_homotopy_entry(&native)
1507 }
1508
1509 fn finalize_outer_result(
1510 &mut self,
1511 rho: &Array1<f64>,
1512 plan: &OuterPlan,
1513 ) -> Result<(), EstimationError> {
1514 let native = self.to_native(rho);
1515 self.inner.finalize_outer_result(&native, plan)
1516 }
1517
1518 fn outer_device_admission(&self) -> Option<gam_gpu::policy::RemlOuterAdmission> {
1519 // The device path optimizes in its own coordinate layout; canonicalized
1520 // problems route through the host BFGS/ARC path (where the permutation
1521 // is honored) rather than the device driver.
1522 None
1523 }
1524}