gam_solve/arrow_schur/reduced_solve.rs
1//! The reduced `K x K` shared-system solve: dense Schur assembly (direct and
2//! square-root BA), the Schur matvec, the Jacobi/cluster/Schwarz
3//! preconditioners, Steihaug-PCG, and the [`ArrowSchurError`] type.
4
5use super::*;
6
7/// Host budget for a dense reduced Schur `k × k` f64 matrix (#1017). Above this
8/// the dense assembly is refused with a loud `SchurFactorFailed` rather than
9/// OOM-killing the host. 8 GiB ⇒ `k ≈ 32768`; every currently-feasible SAE border
10/// (k ≤ 5120 ⇒ 0.2 GiB) is well under it, while the qwen LLM border (k = 98304 ⇒
11/// 77 GiB) is correctly rejected as matrix-free-only.
12pub(crate) const DENSE_SCHUR_BYTES_BUDGET: u128 = 8 * 1024 * 1024 * 1024;
13
14/// Reduce one contiguous device tile's rows into a private `-Σ leftᵀ·right`
15/// partial (`k×k`).
16///
17/// The tile stacks its per-row `left_i` / `right_i` factors (each `d×k`) into
18/// two `(Σ_i d_i × k)` matrices and tries a single per-ordinal `AᵀB` device
19/// GEMM (`gam_gpu::try_fast_atb_on_ordinal`), which runs on the device this
20/// worker thread already bound — one big GPU GEMM per tile rather than `n` small
21/// CPU ones. When the device primitive declines (no GPU, shape below policy,
22/// transient failure) the tile reduces with the exact CPU `block_gemm_subtract`
23/// loop, so the result is unchanged. The partial is negated so the caller's
24/// `schur += partial` reproduces the serial `schur -= Σ contribution`.
25pub(crate) fn tile_schur_partial<B: BatchedBlockSolver>(
26 sys: &ArrowSchurSystem,
27 htt_factors: &ArrowFactorSlab,
28 backend: &B,
29 kind: SchurReductionKind,
30 ordinal: usize,
31 range: Range<usize>,
32) -> Result<Array2<f64>, ArrowSchurError> {
33 let k = sys.k;
34
35 // Build the per-row contribution factors once; both the GPU stacked-GEMM
36 // and the CPU fallback consume them.
37 let mut factors: Vec<(Array2<f64>, Array2<f64>)> = Vec::with_capacity(range.len());
38 let mut total_d = 0usize;
39 for i in range.clone() {
40 let (left, right) = row_schur_contribution_factors(
41 sys,
42 i,
43 &sys.rows[i],
44 htt_factors.factor(i),
45 backend,
46 kind,
47 )?;
48 total_d += left.nrows();
49 factors.push((left, right));
50 }
51
52 // Stack into (total_d × k) left/right matrices for one device AᵀB GEMM on
53 // this tile's bound ordinal. `try_fast_atb_on_ordinal` returns leftᵀ·right
54 // (k×k); negate into the partial. At an SAE-shaped whole-fit tile with
55 // n=2000 rows, k=2048 shared columns, M=12 local rows per observation, and
56 // K=8 candidate/atom batches, the stacked GEMM is
57 // 2*(n*M)*k^2 = 201_326_592_000 flops per batch, or
58 // 1_610_612_736_000 flops across K=8, so the policy work gate is cleared
59 // even though the observation count is far below the old row floor.
60 if total_d > 0 && k > 0 {
61 let mut left_stack = Array2::<f64>::zeros((total_d, k));
62 let mut right_stack = Array2::<f64>::zeros((total_d, k));
63 let mut base = 0usize;
64 for (left, right) in &factors {
65 let di = left.nrows();
66 left_stack
67 .slice_mut(ndarray::s![base..base + di, ..])
68 .assign(left);
69 right_stack
70 .slice_mut(ndarray::s![base..base + di, ..])
71 .assign(right);
72 base += di;
73 }
74 if let Some(product) =
75 gam_gpu::try_fast_atb_on_ordinal(ordinal, left_stack.view(), right_stack.view())
76 {
77 return Ok(product.mapv(|v| -v));
78 }
79 }
80
81 // CPU fallback: exact per-row block_gemm_subtract into a zero-seeded partial.
82 let mut partial = Array2::<f64>::zeros((k, k));
83 for (left, right) in &factors {
84 backend.block_gemm_subtract(&mut partial, left, right);
85 }
86 Ok(partial)
87}
88
89/// Reduce the per-row Schur contributions `Σ_i H_tβ^(i)ᵀ (H_tt^(i))⁻¹ H_tβ^(i)`
90/// out of `schur` (seeded with `H_ββ + ρ_β·I`).
91///
92/// The per-row contributions are independent — exactly the "sum over independent
93/// arrow-tip blocks" axis the device pool partitions. When more than one GPU is
94/// usable, [`gam_gpu::pool::balanced_partition`] splits the `0..n` rows into
95/// per-device contiguous tiles; each tile is reduced on its own scoped thread
96/// (binding that ordinal's context so the per-row GEMM-subtract offloads to its
97/// device) into a private `k×k` partial, and the partials are summed back into
98/// `schur` in tile order. The tiles are contiguous, ordered to cover `0..n`, and
99/// folded back in that same order, so within each tile the per-row accumulation
100/// order is preserved and the only departure from the serial loop is the
101/// inter-tile reassociation of the reduction sum — the established
102/// reduction-order equivalence the device pool already operates under, well
103/// inside the Newton solve's tolerance.
104///
105/// With a single device (or no GPU) the row loop runs serially in place, which
106/// is bit-for-bit the original behaviour.
107pub(crate) fn reduce_row_schur_contributions<B: BatchedBlockSolver + Sync>(
108 sys: &ArrowSchurSystem,
109 htt_factors: &ArrowFactorSlab,
110 backend: &B,
111 kind: SchurReductionKind,
112 schur: &mut Array2<f64>,
113 gpu_policy: gam_gpu::GpuPolicy,
114) -> Result<(), ArrowSchurError> {
115 let n = sys.rows.len();
116 let k = sys.k;
117
118 // Size gate BEFORE the device probe (startup-tax ordering fix): the
119 // multi-GPU tile path exists to overlap the per-row `leftᵀ·right` GEMMs
120 // (≈ `2·d·k²` flops each, `2·n·d·k²` total) across the pool, and each
121 // tile's GEMMs still pass through the policy-gated dispatch shims — which
122 // refuse every op when the WHOLE assembly is below
123 // `MIN_CALIBRATABLE_GEMM_FLOPS`, the smallest floor any reachable policy
124 // can carry. Such a shape would only inherit the tile split's inter-tile
125 // reassociation (the documented, tolerance-bounded departure) while doing
126 // 100% CPU work, so route it to the serial/rayon reference path below
127 // WITHOUT resolving GPU availability (whose first call creates a CUDA
128 // primary context on every GPU). Shapes clearing the floor probe and tile
129 // exactly as before.
130 let assembly_work = 2u128 * (n as u128) * (sys.d as u128) * (k as u128) * (k as u128);
131 let tiles = if assembly_work < gam_gpu::GpuDispatchPolicy::MIN_CALIBRATABLE_GEMM_FLOPS {
132 None
133 } else {
134 gam_gpu::device_runtime::GpuRuntime::resolve(gpu_policy)
135 .map_err(|error| ArrowSchurError::SchurFactorFailed {
136 reason: format!("GPU runtime resolution failed during Schur reduction: {error}"),
137 })?
138 .and_then(|rt| {
139 let tiles = gam_gpu::pool::balanced_partition(rt, n);
140 // Engage the device stacked-GEMM reduction when a MULTI-GPU pool can
141 // overlap tiles, OR — the single-GPU gap this closes — when the one
142 // stacked `(total_d×k)ᵀ(total_d×k)` GEMM clears the runtime's own
143 // `gemm_min_flops`, so `try_fast_atb_on_ordinal` will actually offload
144 // it instead of declining back to CPU. This reduction is the dense
145 // build's O(n·d·k²) cost (measured on an H100 as ~28% of the fit in
146 // `block_gemm_subtract`), and on a single GPU it previously always ran
147 // on the CPU because the tile path required `len() > 1` — the device
148 // sat idle. `assembly_work` IS the stacked GEMM's flop count (2·k²·Σd),
149 // so this is exactly `try_fast_atb`'s own offload predicate; below the
150 // GEMM floor the launch/staging tax loses to the CPU, so we keep the
151 // deterministic CPU rayon fold there. Small K (e.g. K=8) never clears
152 // the floor and stays on the CPU — magic-by-default crossover, no flag.
153 let engage = tiles.len() > 1 || assembly_work >= rt.policy().gemm_min_flops as u128;
154 (engage && !tiles.is_empty()).then_some(tiles)
155 })
156 };
157
158 let Some(tiles) = tiles else {
159 // Single-device / CPU. The per-row contributions `-Σ_i leftᵀ·right` fold
160 // into the `k×k` `schur` independently — the same dense-assembly axis the
161 // multi-GPU tile path partitions, and the dense-Direct analog of the
162 // per-row matvec / streaming `accumulate_chunk` loops already parallelized
163 // for #1017. At the SAE Direct-solve shape (`n` in the thousands, wide
164 // border `k`) this O(n·d·k²) reduction is the dense assembly's whole cost
165 // and was the last serial CPU step on the dense-Schur build.
166 //
167 // Fan it across rayon over fixed row chunks: each chunk reduces its rows
168 // (in row order) into a private zero-seeded `k×k` partial, then the
169 // partials are folded into `schur` in CHUNK order. The per-chunk row order
170 // and the inter-chunk fold order are both fixed independent of thread
171 // scheduling, so the f64 reduction is **bit-identical run-to-run** (the
172 // #1017 determinism gate). NOTE: bit-identical run-to-run does NOT make
173 // it bit-identical to the in-place serial loop — the chunk-boundary
174 // reassociation of the reduction sum is a genuine f64 departure (the
175 // established equivalence `accumulate_chunk` / the per-row matvec operate
176 // under, well inside the Newton solve's tolerance). It bounds candidate-
177 // to-candidate drift to that reassociation margin, so the criterion
178 // ranking is stable EXCEPT for candidates tying within the margin, where
179 // the winner can flip; it is not an exact no-move guarantee (#1211). For
180 // an exact-order guarantee, take the serial path. Stay in-place serial
181 // below the row floor and when already inside a rayon worker (the topology
182 // race fans candidates with `run_topology_race_parallel`) to avoid
183 // nested-rayon oversubscription — the same guard the matvec uses.
184 let n_rows = sys.rows.len();
185 let parallel =
186 n_rows >= SCHUR_MATVEC_PARALLEL_ROW_MIN && rayon::current_thread_index().is_none();
187 if parallel {
188 use rayon::prelude::*;
189 const CHUNK: usize = 64;
190 let partials: Result<Vec<Array2<f64>>, ArrowSchurError> = (0..n_rows)
191 .into_par_iter()
192 .chunks(CHUNK)
193 .map(|idxs| {
194 let mut partial = Array2::<f64>::zeros((k, k));
195 for i in idxs {
196 subtract_row_schur_contribution(
197 sys,
198 i,
199 &sys.rows[i],
200 htt_factors.factor(i),
201 backend,
202 kind,
203 &mut partial,
204 )?;
205 }
206 Ok(partial)
207 })
208 .collect();
209 // Deterministic ordered fold: chunk partials hold `-Σ contribution`
210 // over their rows, so `schur += partial` reproduces the serial
211 // `schur -= Σ contribution` in fixed (chunk, a, b) order.
212 for partial in &partials? {
213 for a in 0..k {
214 for b in 0..k {
215 schur[[a, b]] += partial[[a, b]];
216 }
217 }
218 }
219 return Ok(());
220 }
221 // Serial in-place reduction (original order) — bit-for-bit reference.
222 for (i, row) in sys.rows.iter().enumerate() {
223 subtract_row_schur_contribution(
224 sys,
225 i,
226 row,
227 htt_factors.factor(i),
228 backend,
229 kind,
230 schur,
231 )?;
232 }
233 return Ok(());
234 };
235
236 // Multi-GPU: one private `-Σ leftᵀ·right` partial per contiguous device
237 // tile. Each tile runs on its own scoped worker thread that binds its
238 // ordinal's context and issues a single stacked AᵀB GEMM on that device, so
239 // the tiles' GEMMs overlap across the pool. Folding the partials back into
240 // the H_ββ-seeded `schur` reproduces the serial reduction (up to inter-tile
241 // reassociation).
242 let partials: Result<Vec<Array2<f64>>, ArrowSchurError> = std::thread::scope(|scope| {
243 let handles: Vec<_> = tiles
244 .iter()
245 .map(|(ordinal, range)| {
246 let ordinal = *ordinal;
247 let range = range.clone();
248 scope.spawn(move || {
249 // Bind this ordinal's CUDA context on this worker thread so
250 // the per-row GPU GEMM shims issued from `tile_schur_partial`
251 // offload to that device. A missing context or bind failure
252 // is intentionally consumed without escalation — the shims
253 // no-op back to CPU and the math is unchanged. Off Linux
254 // runtime resolution is always absent, so this branch
255 // is unreachable and the bind is omitted entirely.
256 #[cfg(target_os = "linux")]
257 {
258 if let Some(ctx) = gam_gpu::device_runtime::cuda_context_for(ordinal) {
259 if let Err(err) = ctx.bind_to_thread() {
260 log::debug!(
261 "arrow-schur tile {ordinal}: CUDA context bind failed ({err}); \
262 this tile reduces on the CPU"
263 );
264 }
265 }
266 }
267 tile_schur_partial(sys, htt_factors, backend, kind, ordinal, range)
268 })
269 })
270 .collect();
271 handles
272 .into_iter()
273 .map(|handle| {
274 handle
275 .join()
276 .map_err(|_| ArrowSchurError::SchurFactorFailed {
277 reason: "schur-reduction tile thread panicked".to_string(),
278 })?
279 })
280 .collect()
281 });
282 let partials = partials?;
283
284 // Fold partials into `schur` in tile order (contiguous, covering 0..n) so
285 // the per-tile and inter-tile accumulation order is the row order; each
286 // partial holds `-Σ contribution` over its rows, so `schur += partial`
287 // reproduces `schur -= Σ contribution`.
288 for partial in &partials {
289 for a in 0..k {
290 for b in 0..k {
291 schur[[a, b]] += partial[[a, b]];
292 }
293 }
294 }
295 Ok(())
296}
297
298pub(crate) fn build_dense_schur_direct<B: BatchedBlockSolver + Sync>(
299 sys: &ArrowSchurSystem,
300 htt_factors: &ArrowFactorSlab,
301 ridge_beta: f64,
302 backend: &B,
303 gpu_policy: gam_gpu::GpuPolicy,
304) -> Result<Array2<f64>, ArrowSchurError> {
305 let k = sys.k;
306 // Materialise H_ββ via the BetaPenaltyOp trait (#296): DensePenaltyOp
307 // for the legacy dense path, structured ops for SAE / Kronecker smooths.
308 let op = sys.effective_penalty_op();
309 if op.dim() != k {
310 return Err(ArrowSchurError::SchurFactorFailed {
311 reason: "Direct BA requires a K×K shared H_ββ penalty operator".to_string(),
312 });
313 }
314 // Fail LOUD, never OOM-kill (#1017): the dense reduced Schur is `k × k` f64.
315 // At SAE LLM borders (qwen `k = 98304` ⇒ 77 GiB) materialising it would crash
316 // the host. Direct deliberately uses this one canonical dense Schur for both
317 // the Newton step and evidence; large-border matrix-free solves belong to
318 // InexactPCG (and automatic selection routes them there). Refuse an explicit
319 // oversized Direct request with an actionable error rather than duplicating
320 // ownership or degrading silently into an OOM. The budget is generous so
321 // every currently-feasible border (k ≤ 5120 ⇒ 0.2 GiB) is unaffected.
322 let dense_bytes = (k as u128).saturating_mul(k as u128).saturating_mul(8);
323 if dense_bytes > DENSE_SCHUR_BYTES_BUDGET {
324 return Err(ArrowSchurError::SchurFactorFailed {
325 reason: format!(
326 "dense reduced Schur is {k}×{k} f64 = {} MiB, exceeding the {} MiB host budget; \
327 Direct requires one canonical dense Schur for its step and evidence; select \
328 InexactPCG for a matrix-free large-border step",
329 dense_bytes / (1024 * 1024),
330 DENSE_SCHUR_BYTES_BUDGET / (1024 * 1024),
331 ),
332 });
333 }
334 let mut schur = op.to_dense();
335 for j in 0..k {
336 schur[[j, j]] += ridge_beta;
337 }
338 reduce_row_schur_contributions(
339 sys,
340 htt_factors,
341 backend,
342 SchurReductionKind::Direct,
343 &mut schur,
344 gpu_policy,
345 )?;
346 symmetrize_upper_from_lower(&mut schur);
347 Ok(schur)
348}
349
350pub(crate) fn build_dense_schur_sqrt_ba<B: BatchedBlockSolver + Sync>(
351 sys: &ArrowSchurSystem,
352 htt_factors: &ArrowFactorSlab,
353 ridge_beta: f64,
354 backend: &B,
355 gpu_policy: gam_gpu::GpuPolicy,
356) -> Result<Array2<f64>, ArrowSchurError> {
357 let k = sys.k;
358 // Materialise H_ββ via the BetaPenaltyOp trait (#296).
359 let op = sys.effective_penalty_op();
360 if op.dim() != k {
361 return Err(ArrowSchurError::SchurFactorFailed {
362 reason: "Square-Root BA direct solve requires a K×K shared H_ββ penalty operator"
363 .to_string(),
364 });
365 }
366 // Same fail-loud host-memory contract as the Direct reduction (#1017). The
367 // square-root BA route still materialises the same dense `k×k` reduced
368 // Schur; letting this path bypass the budget would preserve an OOM-class
369 // fallback even after Direct learned to refuse matrix-free-only borders.
370 let dense_bytes = (k as u128).saturating_mul(k as u128).saturating_mul(8);
371 if dense_bytes > DENSE_SCHUR_BYTES_BUDGET {
372 return Err(ArrowSchurError::SchurFactorFailed {
373 reason: format!(
374 "square-root BA dense reduced Schur is {k}×{k} f64 = {} MiB, exceeding the \
375 {} MiB host budget; this border is matrix-free-only",
376 dense_bytes / (1024 * 1024),
377 DENSE_SCHUR_BYTES_BUDGET / (1024 * 1024),
378 ),
379 });
380 }
381 let mut schur = op.to_dense();
382 for j in 0..k {
383 schur[[j, j]] += ridge_beta;
384 }
385 reduce_row_schur_contributions(
386 sys,
387 htt_factors,
388 backend,
389 SchurReductionKind::SqrtBa,
390 &mut schur,
391 gpu_policy,
392 )?;
393 symmetrize_upper_from_lower(&mut schur);
394 Ok(schur)
395}
396
397/// Certified Carson–Higham mixed-precision solve of the reduced dense Schur
398/// system `S Δβ = rhs` (#1014), specialized to the streaming/residency path.
399///
400/// Returns `Some(Δβ)` when certified mixed precision is enabled AND the κ gate
401/// admits the f32 factorization AND the f64 backward-error certificate closes;
402/// `None` in every other case so the caller falls back to the exact f64
403/// triangular solve. The f64 `factor` (whose diagonal carries the exact
404/// `log|S|`) is supplied by the caller and never re-derived here — the logdet
405/// the evidence path reads stays f64 by construction.
406///
407/// Method: store the f64 Cholesky factor as f32, solve in f32, then refine with
408/// residuals `r = rhs − S·x` computed in f64 against the f64 `S`. With
409/// `κ(S)·u_f32 < margin` the refinement contracts at rate `κ·u`, and the
410/// terminating certificate is the normwise backward error
411/// `‖r‖∞ / (‖S‖∞‖x‖∞ + ‖rhs‖∞) ≤ tol`. A non-decreasing residual or an
412/// unmet certificate after `max_refinement_steps` returns `None`.
413pub(crate) fn mixed_precision_reduced_beta(
414 schur: &Array2<f64>,
415 factor: &Array2<f64>,
416 rhs: &Array1<f64>,
417 options: &ArrowSolveOptions,
418) -> Option<Array1<f64>> {
419 let ArrowSolvePrecisionPolicy::CertifiedMixed {
420 max_refinement_steps,
421 residual_relative_tolerance,
422 kappa_unit_roundoff_margin,
423 } = options.solve_precision
424 else {
425 return None;
426 };
427 // The reduced-system mixed-precision path is the dense reduced solve only;
428 // a trust-region-truncated step takes the Steihaug branch below in f64.
429 if options.trust_region.radius.is_finite() {
430 return None;
431 }
432 let n = schur.nrows();
433 if n == 0 {
434 return None;
435 }
436
437 // κ gate: the f32 factorization is only admissible when κ(S)·u_f32 leaves
438 // the refinement contraction headroom the certificate needs.
439 let kappa = cholesky_factor_kappa_estimate(factor);
440 if !kappa.is_finite() || kappa * F32_UNIT_ROUNDOFF >= kappa_unit_roundoff_margin {
441 return None;
442 }
443
444 let factor_f32 = factor.mapv(|v| v as f32);
445 let s_inf = matrix_inf_norm(schur);
446 let rhs_inf = rhs.iter().fold(0.0_f64, |a, &b| a.max(b.abs()));
447 let certificate_tol = residual_relative_tolerance
448 .max(MIXED_PRECISION_CERTIFICATE_EPSILON_MULTIPLIER * f64::EPSILON);
449
450 // f32 solve of the seed system, then f64-residual refinement steps.
451 let mut x = cholesky_solve_lower_f32(&factor_f32, &rhs.mapv(|v| v as f32)).mapv(|v| v as f64);
452 let mut last_residual = f64::INFINITY;
453 for _ in 0..=max_refinement_steps {
454 // Residual r = rhs − S·x in f64 against the f64 model.
455 let sx = schur.dot(&x);
456 let mut r = rhs.clone();
457 r -= &sx;
458 let r_inf = r.iter().fold(0.0_f64, |a, &b| a.max(b.abs()));
459 let x_inf = x.iter().fold(0.0_f64, |a, &b| a.max(b.abs()));
460 let denom = s_inf * x_inf + rhs_inf;
461 let backward_error = if denom > 0.0 { r_inf / denom } else { 0.0 };
462 if backward_error <= certificate_tol {
463 return Some(x);
464 }
465 // Refinement must make monotone progress, else hand back to f64.
466 if !(r_inf < last_residual) {
467 return None;
468 }
469 last_residual = r_inf;
470 // Correction solve in f32 against the f32 factor: S·δ = r.
471 let delta = cholesky_solve_lower_f32(&factor_f32, &r.mapv(|v| v as f32)).mapv(|v| v as f64);
472 x += δ
473 }
474 None
475}
476
477/// Infinity norm (max absolute row sum) of a dense matrix.
478pub(crate) fn matrix_inf_norm(a: &Array2<f64>) -> f64 {
479 let mut max_row = 0.0_f64;
480 for row in a.rows() {
481 let s: f64 = row.iter().map(|v| v.abs()).sum();
482 if s > max_row {
483 max_row = s;
484 }
485 }
486 max_row
487}
488
489/// Spectral positive-definiteness floor for the reduced Schur complement
490/// `S` (#1026 SAE co-collapse SOLVE-path cure).
491///
492/// Reached only after the genuine Cholesky of `S` has REFUSED it (an indefinite
493/// reduced Schur: collapsed atoms drive a per-row `H_tt` near-singular, so the
494/// accumulated `Σ_i H_tβᵀ (H_tt)⁻¹ H_tβ` over-subtracts `H_ββ + ridge_β·I` into a
495/// matrix with a non-positive eigenvalue). Rather than reject and let the LM
496/// loop inflate `ridge_β` over EVERY β direction (the #1026 "crawl"), we
497/// symmetric-eigendecompose `S` and clamp every eigenvalue UP to
498/// `floor·max(λ)`. This is Levenberg–Marquardt restricted to exactly the
499/// indefinite/collapsed subspace: a well-separated positive direction
500/// (`λ ≫ floor·max λ`) keeps its EXACT eigenvalue (`λ.max(floor·max λ) = λ`), so
501/// the Newton step in the healthy β subspace is unchanged, while only the
502/// collapsed directions get the minimal positive stiffness needed for a PD
503/// solve. Returns the floored, symmetric, strictly-PD matrix, or `None` if `S`
504/// has no usable scale (non-finite / all-zero spectrum), in which case the
505/// caller keeps the strict refusal.
506///
507/// Mirrors the per-row evidence floor
508/// [`super::factorization::factor_spectral_deflated_criterion_row_with_geometry`]; the only
509/// difference is the floored VALUE — a small positive `floor·max λ` (Tikhonov,
510/// for an accurate solve) here, vs unit stiffness `+1` (`log 1 = 0`) there (for
511/// the quotient log-det).
512pub(crate) fn spectral_pd_floored_schur(
513 schur: &Array2<f64>,
514 relative_floor: f64,
515) -> Option<(Array2<f64>, Array2<f64>)> {
516 spectral_pd_floored_schur_with_factor(schur, relative_floor)
517}
518
519/// Shared body for [`spectral_pd_floored_schur`]: symmetrise, eigendecompose,
520/// condition the spectrum, and return BOTH
521/// the conditioned matrix `Σ λ̃_i v_i v_iᵀ` (consumed by Steihaug / matvec /
522/// mixed-precision refinement) and its lower Cholesky factor.
523///
524/// The factor is built DIRECTLY from the conditioned spectral form — QR of
525/// `W = diag(√λ̃)·Vᵀ` gives `A = WᵀW = RᵀR`, so `L = Rᵀ` — never by
526/// re-factorising the reconstructed matrix. Reconstruct-then-refactor fails
527/// under extreme eigenvalue spread: with `λ_max ~ 1e57` the `Σ λ̃ v vᵀ`
528/// reconstruction carries `O(ε·λ_max)` round-off, which swamps unit-deflated
529/// (`λ̃ = 1`) and floored (`λ̃ = floor·λ_max`) directions and re-poisons the
530/// second Cholesky — the #2230 "spectral PD-floor reconstruction still non-PD"
531/// refusal at a ρ whose conditioned evidence is perfectly well-defined. The QR
532/// route factors the exact conditioned spectrum, so it succeeds whenever the
533/// policy produced strictly positive `λ̃` (always, by construction).
534fn spectral_pd_floored_schur_with_factor(
535 schur: &Array2<f64>,
536 relative_floor: f64,
537) -> Option<(Array2<f64>, Array2<f64>)> {
538 let n = schur.nrows();
539 if n == 0 || schur.ncols() != n || !(relative_floor.is_finite() && relative_floor > 0.0) {
540 return None;
541 }
542 // Symmetrise defensively (the assembled Schur is symmetric up to reduction
543 // order; the eig routine assumes exact symmetry).
544 let mut sym = Array2::<f64>::zeros((n, n));
545 for i in 0..n {
546 for j in 0..n {
547 let v = 0.5 * (schur[[i, j]] + schur[[j, i]]);
548 if !v.is_finite() {
549 return None;
550 }
551 sym[[i, j]] = v;
552 }
553 }
554 let (evals, evecs) = sym.eigh(Side::Lower).ok()?;
555 let max_abs = evals.iter().fold(
556 0.0_f64,
557 |acc, &v| if v.is_finite() { acc.max(v.abs()) } else { acc },
558 );
559 if !(max_abs.is_finite() && max_abs > 0.0) {
560 return None;
561 }
562 let floor = relative_floor * max_abs;
563 // Newton-step policy (LM): clamp every eigenvalue UP to a strictly positive
564 // `floor` — healthy positive directions (`λ ≫ floor`) keep their EXACT
565 // eigenvalue, collapsed/indefinite directions get the minimal stiffness for
566 // a stable `Δβ`.
567 let mut conditioned = Array2::<f64>::zeros((n, n));
568 let mut weighted_vt = Array2::<f64>::zeros((n, n));
569 for eig_idx in 0..evals.len() {
570 let lambda = evals[eig_idx];
571 let lambda_conditioned = if lambda.is_finite() {
572 lambda.max(floor)
573 } else {
574 floor
575 };
576 let sqrt_lambda = lambda_conditioned.sqrt();
577 for i in 0..n {
578 let vi = evecs[[i, eig_idx]];
579 weighted_vt[[eig_idx, i]] = sqrt_lambda * vi;
580 if vi == 0.0 {
581 continue;
582 }
583 for j in 0..n {
584 conditioned[[i, j]] += lambda_conditioned * vi * evecs[[j, eig_idx]];
585 }
586 }
587 }
588 let factor =
589 spectral_qr_cholesky_factor(&weighted_vt).or_else(|| cholesky_lower(&conditioned).ok())?;
590 Some((conditioned, factor))
591}
592
593/// Original-coordinate unit-deflation for an evidence reduced Schur.
594///
595/// The rank decision and unit pin are made in the caller's β coordinates. A
596/// Jacobi congruence is appropriate for a Newton solve but would turn a unit
597/// eigenvalue in scaled coordinates into a scale-dependent stiffness after
598/// unscaling, corrupting both `log 1 = 0` and the cached null-space metadata.
599fn factor_evidence_unit_deflated_schur(
600 schur: &Array2<f64>,
601 relative_floor: f64,
602 refuse_resolved_indefinite: bool,
603 exact_a: Option<&ExactAReducedClassification>,
604) -> Result<DenseReducedSchurFactorization, ArrowSchurError> {
605 let declined = |reason: &str| ArrowSchurError::SchurFactorFailed {
606 reason: format!("evidence reduced Schur unit-deflation declined ({reason})"),
607 };
608 let n = schur.nrows();
609 if n == 0 || schur.ncols() != n || !(relative_floor.is_finite() && relative_floor > 0.0) {
610 return Err(declined("empty, non-square, or invalid relative floor"));
611 }
612 let mut sym = Array2::<f64>::zeros((n, n));
613 for i in 0..n {
614 for j in 0..n {
615 let value = 0.5 * (schur[[i, j]] + schur[[j, i]]);
616 if !value.is_finite() {
617 return Err(declined("non-finite entry"));
618 }
619 sym[[i, j]] = value;
620 }
621 }
622 let (raw_evals, evecs) = sym
623 .eigh(Side::Lower)
624 .map_err(|_| declined("symmetric eigendecomposition failed"))?;
625 let max_abs = raw_evals.iter().fold(0.0_f64, |acc, &value| {
626 if value.is_finite() {
627 acc.max(value.abs())
628 } else {
629 acc
630 }
631 });
632 if !(max_abs.is_finite() && max_abs > 0.0) {
633 return Err(declined("no usable spectrum"));
634 }
635 if let Some(geometry) = exact_a
636 && (geometry.majorizer_metric.dim() != (n, n)
637 || geometry.clamp_metric.dim() != (n, n))
638 {
639 return Err(declined(
640 "exact-A majorizer/clamp metrics do not match the reduced Schur",
641 ));
642 }
643 if refuse_resolved_indefinite && exact_a.is_none() {
644 return Err(declined(
645 "exact-A evidence classification requires its raw B/delta/clamp carrier",
646 ));
647 }
648 let deflate_floor = relative_floor * max_abs * (1.0 - SPECTRAL_DEFLATION_HYSTERESIS_FRACTION);
649 let mut conditioning = vec![BetaSchurSpectralConditioning::Raw; raw_evals.len()];
650 let mut cond_evals = raw_evals.clone();
651 let mut classification_changed = false;
652 for eig_idx in 0..raw_evals.len() {
653 let value = raw_evals[eig_idx];
654 if let Some(geometry) = exact_a {
655 let direction = evecs.column(eig_idx);
656 let majorizer_curvature =
657 direction.dot(&geometry.majorizer_metric.dot(&direction));
658 let clamp_curvature = direction.dot(&geometry.clamp_metric.dot(&direction));
659 match classify_exact_a_direction(
660 value,
661 n,
662 max_abs,
663 majorizer_curvature,
664 clamp_curvature,
665 ) {
666 ExactADirectionClassification::ResolvedPositive { curvature } => {
667 cond_evals[eig_idx] = curvature;
668 }
669 ExactADirectionClassification::NumericalNull => {
670 conditioning[eig_idx] = BetaSchurSpectralConditioning::UnitDeflated;
671 cond_evals[eig_idx] = 1.0;
672 classification_changed = true;
673 }
674 ExactADirectionClassification::ClampBasin { curvature } => {
675 conditioning[eig_idx] = BetaSchurSpectralConditioning::ClampBasin;
676 cond_evals[eig_idx] = curvature;
677 classification_changed = true;
678 }
679 ExactADirectionClassification::Saddle { curvature, basin } => {
680 return Err(ArrowSchurError::SchurFactorFailed {
681 reason: format!(
682 "reduced-Schur {}: direction {eig_idx} has raw exact-A curvature \
683 {curvature:.6e} and clamp basin {basin:.6e}; the shared \
684 majorizer-metric classifier declares a genuine saddle (#2515/#2336)",
685 ArrowSchurError::indefinite_evidence_marker(),
686 ),
687 });
688 }
689 }
690 } else if !value.is_finite() || value < deflate_floor {
691 conditioning[eig_idx] = BetaSchurSpectralConditioning::UnitDeflated;
692 cond_evals[eig_idx] = 1.0;
693 classification_changed = true;
694 }
695 }
696
697 // Preserve the ordinary equilibrated-Cholesky bit path in the interior.
698 // If Cholesky alone is numerically unable to factor a spectrally healthy
699 // operator, the spectral QR below still factors the identical raw spectrum.
700 if !classification_changed
701 && let Ok(interior) = factor_dense_reduced_schur(schur, ReducedSchurPolicy::StrictNewton)
702 {
703 return Ok(interior);
704 }
705
706 let mut conditioned = Array2::<f64>::zeros((n, n));
707 let mut weighted_vt = Array2::<f64>::zeros((n, n));
708 for eig_idx in 0..n {
709 let lambda = cond_evals[eig_idx];
710 if !(lambda.is_finite() && lambda > 0.0) {
711 return Err(declined("conditioned eigenvalue is not finite and positive"));
712 }
713 let sqrt_lambda = lambda.sqrt();
714 for i in 0..n {
715 let vi = evecs[[i, eig_idx]];
716 weighted_vt[[eig_idx, i]] = sqrt_lambda * vi;
717 if vi != 0.0 {
718 for j in 0..n {
719 conditioned[[i, j]] += lambda * vi * evecs[[j, eig_idx]];
720 }
721 }
722 }
723 }
724 let factor = spectral_qr_cholesky_factor(&weighted_vt)
725 .ok_or_else(|| declined("spectral QR Cholesky of the conditioned spectrum declined"))?;
726 let beta_conditioning = classification_changed.then(|| BetaSchurConditioningSpectrum {
727 evecs,
728 raw_evals,
729 cond_evals,
730 conditioning: conditioning.into(),
731 });
732 Ok(DenseReducedSchurFactorization {
733 factor,
734 conditioned_schur: beta_conditioning.as_ref().map(|_| conditioned),
735 beta_conditioning,
736 })
737}
738
739/// Lower Cholesky factor of `A = WᵀW` computed from `W` itself: QR gives
740/// `W = QR ⇒ A = RᵀR`, so the factor is `L = Rᵀ` (rows sign-fixed to a positive
741/// diagonal). `W` here is `diag(√λ̃)·Vᵀ` with every `λ̃ > 0`, so `W` has full
742/// rank and the factor exists exactly; returns `None` only if the QR itself
743/// declines or produces a non-finite / zero pivot, in which case the caller
744/// falls back to factoring the reconstructed matrix (the historical path).
745fn spectral_qr_cholesky_factor(weighted_vt: &Array2<f64>) -> Option<Array2<f64>> {
746 let n = weighted_vt.nrows();
747 let (_q, r) = weighted_vt.qr().ok()?;
748 if r.nrows() != n || r.ncols() != n {
749 return None;
750 }
751 let mut l = Array2::<f64>::zeros((n, n));
752 for i in 0..n {
753 let d = r[[i, i]];
754 if !d.is_finite() || d == 0.0 {
755 return None;
756 }
757 let s = if d < 0.0 { -1.0 } else { 1.0 };
758 for j in i..n {
759 let v = s * r[[i, j]];
760 if !v.is_finite() {
761 return None;
762 }
763 l[[j, i]] = v;
764 }
765 }
766 Some(l)
767}
768
769/// Jacobi/Van der Sluis diagonal equilibration scale for a symmetric matrix
770/// (#2015): `d_a = sqrt(|schur[a,a]|)`, floored at `√JACOBI_DIAGONAL_PD_FLOOR`
771/// so a numerically-empty diagonal entry never divides by ~0. This is a PURE
772/// numerical-conditioning aid for [`factor_dense_reduced_schur`] below — it is
773/// never returned or exposed, and it changes no value any caller of that
774/// function sees, only the accuracy of computing it.
775///
776/// #2822 — the scale is the diagonal's MAGNITUDE, not the signed entry. Van der
777/// Sluis is stated for a positive-definite matrix, where the two agree
778/// (`|S_aa| = S_aa`, and `abs` on a positive finite double is exact), so this is
779/// BIT-IDENTICAL on every matrix that reaches the Cholesky success path — a
780/// positive-definite matrix has no non-positive diagonal. It differs only on the
781/// matrices that fall through to the spectral floor, and there it is the whole
782/// point.
783///
784/// Reading the SIGNED entry made the equilibration ANTI-equilibrating on exactly
785/// the operators the floor exists for. A collapsed reduced Schur carries a
786/// NEGATIVE diagonal; `S_aa > JACOBI_DIAGONAL_PD_FLOOR` is then false, so that
787/// direction was scaled by the substitute `√1e-18 = 1e-9` — dividing an entry of
788/// magnitude `|S_aa|` by `1e-18` and AMPLIFYING it by eighteen decades instead of
789/// normalising it to unit magnitude. `spectral_pd_floored_schur` then reads
790/// `floor = relative_floor · max|λ|` off that inflated spectrum, so the floor is
791/// eighteen decades too high and clamps the HEALTHY directions with it.
792///
793/// Measured on the `owed_1026` mixed-collapse fixture `S = diag(+5, −99)`, whose
794/// healthy Newton step is exactly `Δβ_0 = −g/S = 10/5 = 2`: the signed form gave
795/// `d = (√5, 1e-9)`, `S̃ = diag(1, −9.9e19)`, `floor = 1e-8 · 9.9e19 = 9.9e11`,
796/// so the healthy `λ̃ = 1` was clamped to `9.9e11`, `S_floored,00 = 9.9e11·5 =
797/// 4.95e12` and `Δβ_0 = 2.0202020202e-12` — the live subspace wrong by twelve
798/// orders of magnitude, against a documented contract that it keeps its EXACT
799/// eigenvalue. With the magnitude, `S̃ = diag(1, −1)`, `floor = 1e-8`, the healthy
800/// direction keeps `λ̃ = 1` and `Δβ_0 = 2` exactly, while the collapsed direction
801/// still receives its minimal positive stiffness.
802fn jacobi_diagonal_scale(schur: &Array2<f64>) -> Array1<f64> {
803 let n = schur.nrows();
804 let floor_sqrt = JACOBI_DIAGONAL_PD_FLOOR.sqrt();
805 let mut d = Array1::<f64>::zeros(n);
806 for a in 0..n {
807 let magnitude = schur[[a, a]].abs();
808 d[a] = if magnitude.is_finite() && magnitude > JACOBI_DIAGONAL_PD_FLOOR {
809 magnitude.sqrt()
810 } else {
811 floor_sqrt
812 };
813 }
814 d
815}
816
817/// Factor the dense reduced Schur complement `S`, returning its lower Cholesky
818/// factor, the conditioned operator when policy changed it, and authoritative
819/// β-null metadata for evidence unit deflation.
820///
821/// #2015 — SOLVER-LEVEL conditioning fix (design: issue 2015 comment
822/// 4949898801). A real activation+behavior augmented target can carry output
823/// column-norm spreads of ~1e4 (joint Hessian condition number ≈ 1e8), which a
824/// PLAIN `cholesky_lower(schur)` is not designed to survive: the recursive
825/// `L_ii = sqrt(S_ii − Σ_{j<i} L_ij²)` step loses precision (or falsely
826/// refuses a genuinely PD matrix) when the diagonal spans many orders of
827/// magnitude. Equilibrate FIRST: `D = diag(d)` with `d_a = sqrt(|S_aa|)`
828/// ([`jacobi_diagonal_scale`] — Van der Sluis equilibration, provably within a
829/// factor of `n` of the OPTIMAL diagonal preconditioner for a symmetric
830/// matrix), factor `S̃ = D⁻¹SD⁻¹` (unit diagonal by construction) with the
831/// EXACT SAME Cholesky/spectral-floor logic below, then undo the equilibration
832/// on the way out.
833///
834/// This is NOT a reparametrization of any objective or estimand (contrast the
835/// REVERTED #2015 attempt that divided the FIT TARGET's columns, which
836/// changed what "best fit" means for a homoscedastic residual). `D` is
837/// diagonal, so `L := D·L̃` is STILL lower-triangular, and
838/// `L·Lᵀ = D·S̃·Dᵀ = D·(D⁻¹SD⁻¹)·D = S` exactly — `L` is a bit-exact valid
839/// Cholesky factor of the CALLER'S ORIGINAL `schur`, just computed via a
840/// numerically superior route. Undoing the scale is one exact elementwise
841/// multiply (`factor[i,j] *= d[i]`, `floored[i,j] *= d[i]*d[j]`) — no further
842/// precision is lost recovering original units. Evidence unit deflation
843/// deliberately bypasses this congruence and works in the original β
844/// coordinates so a unit-pinned null contributes exactly `log 1`.
845///
846/// GPU cross-reference: the device/GPU dense-reference path
847/// (`gam_solve::gpu_kernels::arrow_schur::solve_arrow_newton_step_dense_reference`)
848/// factors the full joint `(t, β)` system independently of this function and
849/// does NOT yet get this equilibration. Both paths are exact; the GPU path is
850/// simply not yet as well-conditioned on an ill-scaled system. Porting the
851/// same technique there is a deliberate follow-up, not part of this change.
852///
853/// Newton-step damping and evidence quotient deflation are deliberately
854/// different policies: Tikhonov directions retain a small positive curvature
855/// for a stable step, while evidence-null directions are pinned to unit
856/// stiffness so their log-determinant contribution is exactly zero.
857#[derive(Debug, Clone, Copy, PartialEq)]
858pub(crate) enum ReducedSchurPolicy {
859 StrictNewton,
860 NewtonTikhonov { relative_floor: f64 },
861 EvidenceUnitDeflation {
862 relative_floor: f64,
863 /// #2515 — refuse a RESOLVED negative direction instead of unit-pinning
864 /// it. See [`ArrowEvidencePolicy::UnitDeflationRefusingIndefinite`].
865 refuse_resolved_indefinite: bool,
866 },
867}
868
869impl ReducedSchurPolicy {
870 pub(crate) fn newton(relative_floor: Option<f64>) -> Self {
871 match relative_floor {
872 Some(relative_floor) => Self::NewtonTikhonov { relative_floor },
873 None => Self::StrictNewton,
874 }
875 }
876}
877
878#[derive(Debug)]
879pub(crate) struct DenseReducedSchurFactorization {
880 pub(crate) factor: Array2<f64>,
881 pub(crate) conditioned_schur: Option<Array2<f64>>,
882 pub(crate) beta_conditioning: Option<BetaSchurConditioningSpectrum>,
883}
884
885/// Majorizer and clamp quadratic forms on the exact-A Schur graph
886/// `t(beta) = -A_tt^{-1} A_tbeta beta`. They let the reduced route feed the
887/// same scalar direction classifier as the dense joint route instead of
888/// substituting a local relative eigenvalue test (#2515).
889pub(crate) struct ExactAReducedClassification {
890 pub(crate) majorizer_metric: Array2<f64>,
891 pub(crate) clamp_metric: Array2<f64>,
892}
893
894pub(crate) fn exact_a_reduced_classification(
895 sys: &ArrowSchurSystem,
896 htt_factors: &ArrowFactorSlab,
897) -> Result<Option<ExactAReducedClassification>, ArrowSchurError> {
898 let Some(geometry) = sys.exact_a_classification.as_ref() else {
899 return Ok(None);
900 };
901 if geometry.rows.len() != sys.rows.len() {
902 return Err(ArrowSchurError::SchurFactorFailed {
903 reason: format!(
904 "exact-A classification carries {} rows for an {}-row system",
905 geometry.rows.len(),
906 sys.rows.len(),
907 ),
908 });
909 }
910 let k = sys.k;
911 let mut majorizer_metric = sys.effective_penalty_op().to_dense();
912 let mut clamp_metric = Array2::<f64>::zeros((k, k));
913 for (row_idx, row) in sys.rows.iter().enumerate() {
914 let q = sys.row_dims[row_idx];
915 let operands = &geometry.rows[row_idx];
916 if operands.delta_tt.dim() != (q, q)
917 || operands.delta_tbeta.nrows() != q
918 || operands.delta_tbeta.ncols() != geometry.border_indices.len()
919 || operands.clamp_diag.len() != q
920 {
921 return Err(ArrowSchurError::SchurFactorFailed {
922 reason: format!(
923 "exact-A classification row {row_idx} is incompatible with row width {q} and border width {k}",
924 ),
925 });
926 }
927 let a_tbeta = sys_htbeta_materialize_row(sys, row_idx, row)?;
928 let mut b_tbeta = a_tbeta.clone();
929 for (carrier_col, &system_col) in geometry.border_indices.iter().enumerate() {
930 if system_col >= k {
931 return Err(ArrowSchurError::SchurFactorFailed {
932 reason: format!(
933 "exact-A classification border index {system_col} exceeds width {k}",
934 ),
935 });
936 }
937 for local in 0..q {
938 b_tbeta[[local, system_col]] -=
939 operands.delta_tbeta[[local, carrier_col]];
940 }
941 }
942 let b_tt = &row.htt - &operands.delta_tt;
943 let mut graph = Array2::<f64>::zeros((q, k));
944 for col in 0..k {
945 let solved = cholesky_solve_vector(htt_factors.factor(row_idx), a_tbeta.column(col));
946 for local in 0..q {
947 graph[[local, col]] = -solved[local];
948 }
949 }
950 majorizer_metric += &graph.t().dot(&b_tt.dot(&graph));
951 majorizer_metric += &graph.t().dot(&b_tbeta);
952 majorizer_metric += &b_tbeta.t().dot(&graph);
953 let weighted_graph = Array2::from_shape_fn((q, k), |(local, col)| {
954 operands.clamp_diag[local] * graph[[local, col]]
955 });
956 clamp_metric += &graph.t().dot(&weighted_graph);
957 }
958 Ok(Some(ExactAReducedClassification {
959 majorizer_metric,
960 clamp_metric,
961 }))
962}
963
964/// Matrix-free scalar sibling of [`exact_a_reduced_classification`].
965///
966/// For a reduced-border direction `beta`, lift the Schur graph direction
967/// `t = -A_tt^-1 A_tbeta beta` through the already classified row factors and
968/// evaluate the two quadratic forms the shared exact-A classifier needs:
969/// `v'B_raw v` and `v'E v`, `v = (t, beta)`. No dense `K × K` metric is formed.
970pub(crate) fn exact_a_reduced_direction_metrics(
971 sys: &ArrowSchurSystem,
972 htt_factors: &ArrowFactorSlab,
973 ridge_beta: f64,
974 direction: ArrayView1<'_, f64>,
975) -> Result<(f64, f64), ArrowSchurError> {
976 let geometry = sys.exact_a_classification.as_ref().ok_or_else(|| {
977 ArrowSchurError::SchurFactorFailed {
978 reason: "exact-A reduced direction classification requires its raw B/delta/clamp carrier"
979 .to_string(),
980 }
981 })?;
982 if direction.len() != sys.k || geometry.rows.len() != sys.rows.len() {
983 return Err(ArrowSchurError::SchurFactorFailed {
984 reason: format!(
985 "exact-A reduced direction classification has direction width {}, border {}, \
986 and {} carrier rows for {} system rows",
987 direction.len(),
988 sys.k,
989 geometry.rows.len(),
990 sys.rows.len(),
991 ),
992 });
993 }
994
995 // The reduced evidence operator is `P S P + Q Q'` when a beta gauge is
996 // installed. Classify `P beta` in the physical B/E metrics and count the
997 // structural gauge pin in B at its exact unit stiffness.
998 let physical_direction = match sys.beta_gauge_quotient.as_ref() {
999 Some(quotient) => quotient.project_complement(direction),
1000 None => direction.to_owned(),
1001 };
1002 let gauge_stiffness = sys.beta_gauge_quotient.as_ref().map_or(0.0, |quotient| {
1003 quotient
1004 .directions
1005 .iter()
1006 .map(|gauge| {
1007 let coefficient = gauge.dot(&direction);
1008 coefficient * coefficient
1009 })
1010 .sum()
1011 });
1012 let beta_slice = physical_direction
1013 .as_slice()
1014 .expect("owned exact-A classification direction is contiguous");
1015 let mut penalty_action = vec![0.0_f64; sys.k];
1016 sys.penalty_matvec_add(beta_slice, &mut penalty_action);
1017 let mut majorizer_curvature = physical_direction
1018 .iter()
1019 .zip(penalty_action.iter())
1020 .map(|(&left, &right)| left * right)
1021 .sum::<f64>()
1022 + ridge_beta * physical_direction.dot(&physical_direction)
1023 + gauge_stiffness;
1024 let mut clamp_curvature = 0.0_f64;
1025
1026 for (row_index, row) in sys.rows.iter().enumerate() {
1027 let q = sys.row_dims[row_index];
1028 let operands = &geometry.rows[row_index];
1029 if operands.delta_tt.dim() != (q, q)
1030 || operands.delta_tbeta.nrows() != q
1031 || operands.delta_tbeta.ncols() != geometry.border_indices.len()
1032 || operands.clamp_diag.len() != q
1033 {
1034 return Err(ArrowSchurError::SchurFactorFailed {
1035 reason: format!(
1036 "exact-A reduced direction classification row {row_index} is incompatible \
1037 with latent width {q} and border carrier width {}",
1038 geometry.border_indices.len(),
1039 ),
1040 });
1041 }
1042 let mut a_cross = Array1::<f64>::zeros(q);
1043 sys_htbeta_apply_row(
1044 sys,
1045 row_index,
1046 row,
1047 physical_direction.view(),
1048 &mut a_cross,
1049 );
1050 let mut graph = cholesky_solve_vector(htt_factors.factor(row_index), a_cross.view());
1051 graph.mapv_inplace(|value| -value);
1052 let mut b_cross = a_cross;
1053 for (carrier_column, &system_column) in geometry.border_indices.iter().enumerate() {
1054 if system_column >= sys.k {
1055 return Err(ArrowSchurError::SchurFactorFailed {
1056 reason: format!(
1057 "exact-A reduced direction classification border index {system_column} \
1058 exceeds width {}",
1059 sys.k,
1060 ),
1061 });
1062 }
1063 for local in 0..q {
1064 b_cross[local] -= operands.delta_tbeta[[local, carrier_column]]
1065 * physical_direction[system_column];
1066 }
1067 }
1068 let b_tt = &row.htt - &operands.delta_tt;
1069 majorizer_curvature += graph.dot(&b_tt.dot(&graph)) + 2.0 * graph.dot(&b_cross);
1070 clamp_curvature += graph
1071 .iter()
1072 .zip(operands.clamp_diag.iter())
1073 .map(|(&value, &clamp)| clamp * value * value)
1074 .sum::<f64>();
1075 }
1076 Ok((majorizer_curvature, clamp_curvature))
1077}
1078
1079pub(crate) fn factor_dense_reduced_schur(
1080 schur: &Array2<f64>,
1081 policy: ReducedSchurPolicy,
1082) -> Result<DenseReducedSchurFactorization, ArrowSchurError> {
1083 factor_dense_reduced_schur_with_exact_a(schur, policy, None)
1084}
1085
1086pub(crate) fn factor_dense_reduced_schur_with_exact_a(
1087 schur: &Array2<f64>,
1088 policy: ReducedSchurPolicy,
1089 exact_a: Option<&ExactAReducedClassification>,
1090) -> Result<DenseReducedSchurFactorization, ArrowSchurError> {
1091 let newton_relative_floor = match policy {
1092 ReducedSchurPolicy::StrictNewton => None,
1093 ReducedSchurPolicy::NewtonTikhonov { relative_floor } => Some(relative_floor),
1094 ReducedSchurPolicy::EvidenceUnitDeflation {
1095 relative_floor,
1096 refuse_resolved_indefinite,
1097 } => {
1098 return factor_evidence_unit_deflated_schur(
1099 schur,
1100 relative_floor,
1101 refuse_resolved_indefinite,
1102 exact_a,
1103 );
1104 }
1105 };
1106 let n = schur.nrows();
1107 let d = jacobi_diagonal_scale(schur);
1108 let mut schur_scaled = Array2::<f64>::zeros((n, n));
1109 for i in 0..n {
1110 for j in 0..n {
1111 schur_scaled[[i, j]] = schur[[i, j]] / (d[i] * d[j]);
1112 }
1113 }
1114 let (factor_scaled, floored_scaled) = match cholesky_lower(&schur_scaled) {
1115 Ok(factor) => (factor, None),
1116 Err(e) => {
1117 // #1026/#1038 — every dense reduced-Schur factorization in the SAE
1118 // path must honor the same opt-in spectral floor. Otherwise
1119 // auxiliary entry points (mixed precision and cross-row ordered Beta--Bernoulli
1120 // preconditioning) can reject the collapsed dead-atom subspace even
1121 // though the main direct solve would floor it and continue.
1122 //
1123 // #1803 — Newton-step callers use the Levenberg-Marquardt PD floor
1124 // (`spectral_pd_floored_schur`) so `Δβ` is stable. Evidence/log-det
1125 // callers (`unit_deflate_null_directions`) instead deflate
1126 // quotient/null directions to unit stiffness so they contribute the
1127 // ρ-independent `log 1 = 0` to the Laplace normaliser rather than a
1128 // ρ-dependent Occam reward for collapsed decoders.
1129 //
1130 // #2015 — this spectral floor runs on the EQUILIBRATED `schur_scaled`,
1131 // so `relative_floor` (a FRACTION of the operator's own max
1132 // eigenvalue) reads a numerically trustworthy spectrum instead of one
1133 // dominated by the raw column-scale spread; the floored
1134 // reconstruction is undone back to original units below exactly like
1135 // the plain factor.
1136 match newton_relative_floor {
1137 Some(relative_floor) => {
1138 match spectral_pd_floored_schur(&schur_scaled, relative_floor) {
1139 Some((floored, floored_factor)) => (floored_factor, Some(floored)),
1140 None => {
1141 return Err(ArrowSchurError::SchurFactorFailed {
1142 reason: format!(
1143 "reduced Schur non-PD ({e}); spectral PD-floor declined \
1144 (no usable spectrum)"
1145 ),
1146 });
1147 }
1148 }
1149 }
1150 None => {
1151 return Err(ArrowSchurError::SchurFactorFailed { reason: e });
1152 }
1153 }
1154 }
1155 };
1156 // Undo the equilibration exactly: L = D·L̃ (row i scaled by d_i); the
1157 // floored reconstruction (when present) scales back as D·S̃_floor·D.
1158 let mut factor = factor_scaled;
1159 for i in 0..n {
1160 let di = d[i];
1161 for j in 0..=i {
1162 factor[[i, j]] *= di;
1163 }
1164 }
1165 let floored_schur = floored_scaled.map(|mut floored| {
1166 for i in 0..n {
1167 for j in 0..n {
1168 floored[[i, j]] *= d[i] * d[j];
1169 }
1170 }
1171 floored
1172 });
1173 Ok(DenseReducedSchurFactorization {
1174 factor,
1175 conditioned_schur: floored_schur,
1176 beta_conditioning: None,
1177 })
1178}
1179
1180pub(crate) fn solve_dense_reduced_system(
1181 schur: &Array2<f64>,
1182 rhs_beta: &Array1<f64>,
1183 options: &ArrowSolveOptions,
1184 metric_weights: Option<&MetricWeights>,
1185) -> Result<(Array1<f64>, Option<Array2<f64>>, ArrowPcgDiagnostics), ArrowSchurError> {
1186 let policy = ReducedSchurPolicy::newton(options.newton_schur_tikhonov_rel_floor);
1187 let DenseReducedSchurFactorization {
1188 factor,
1189 conditioned_schur: floored_schur,
1190 beta_conditioning: _,
1191 } = factor_dense_reduced_schur(schur, policy)?;
1192 if let Some(floored) = floored_schur {
1193 let direct = mixed_precision_reduced_beta(&floored, &factor, rhs_beta, options)
1194 .unwrap_or_else(|| cholesky_solve_vector(&factor, rhs_beta));
1195 if step_inside_trust_region(direct.view(), options.trust_region.radius, metric_weights) {
1196 return Ok((direct, Some(factor), ArrowPcgDiagnostics::default()));
1197 }
1198 let identity = IdentityPreconditioner;
1199 let (delta, diag) = steihaug_dense_system(
1200 &floored,
1201 rhs_beta,
1202 &identity,
1203 &ArrowPcgOptions {
1204 max_iterations: options.trust_region.max_iterations,
1205 relative_tolerance: options.trust_region.steihaug_relative_tolerance,
1206 },
1207 &options.trust_region,
1208 metric_weights,
1209 )?;
1210 return Ok((delta, Some(factor), diag));
1211 }
1212 // Ill-conditioned-but-PD Schur guard. The per-row factor checks reject
1213 // any single barely-PD H_tt^(i) block, but the reduced Schur complement
1214 // S = H_ββ + ridge_β·I − Σ_i H_tβ^(i)ᵀ (H_tt^(i))⁻¹ H_tβ^(i)
1215 // accumulates the (H_tt^(i))⁻¹ contributions of every row in finite
1216 // precision. With many weak-but-admissible rows those terms can sum to a
1217 // Schur matrix whose Cholesky succeeds yet whose condition number is far
1218 // past the safe inversion regime, so `cholesky_solve_vector` yields an
1219 // inaccurate Δβ that is silently propagated to the Newton step. Apply the
1220 // same diagonal-ratio κ proxy used per-row to the reduced factor and treat
1221 // an over-threshold estimate as a Schur-stability failure: `SchurFactorFailed`
1222 // is already recoverable in `solve_with_lm_escalation_inner`, so this lifts
1223 // `ridge_beta` and re-forms a better-conditioned Schur. This guard is
1224 // exclusive to the dense Direct / SqrtBA path (the only caller of this
1225 // function); the inexact-PCG path tolerates higher κ(S) and is unaffected.
1226 let schur_kappa = cholesky_factor_kappa_estimate(&factor);
1227 if !schur_kappa.is_finite() || schur_kappa > safe_spd_kappa_max(schur.nrows()) {
1228 // #1026 — over-complete SAE dictionaries park surplus atoms dead
1229 // (β_k → 0), so the reduced Schur is PD (the Cholesky above succeeded)
1230 // but ILL-CONDITIONED: the dead decoder subspace carries near-zero
1231 // eigenvalues while the live subspace is healthy. The kappa gate's
1232 // concern is an inaccurate Δβ from accumulated (H_tt)⁻¹ contamination —
1233 // but on the dead subspace the correct Δβ IS ≈0 (those atoms have no
1234 // signal), so the only "inaccuracy" is in directions whose true step is
1235 // zero. When the spectral PD-floor is enabled (the SAE solve path),
1236 // clamp exactly those collapsed directions up to `floor·max(λ)` and
1237 // solve against the floored Schur: the live subspace keeps its EXACT
1238 // Newton component, the dead subspace is damped to ≈0, and κ is bounded
1239 // so Δβ is accurate where it matters. This is the same conditioning the
1240 // non-PD branch above applies; here it also covers the PD-but-ill-
1241 // conditioned case so the LM loop does not exhaust `ridge_β` trying to
1242 // (futilely) lift a fundamentally rank-deficient dead-atom subspace.
1243 // Without the floor (BA / non-SAE callers) the strict refusal stands.
1244 if let Some(relative_floor) = options.newton_schur_tikhonov_rel_floor
1245 && let Some((floored, floored_factor)) =
1246 spectral_pd_floored_schur(schur, relative_floor)
1247 {
1248 let direct = mixed_precision_reduced_beta(&floored, &floored_factor, rhs_beta, options)
1249 .unwrap_or_else(|| cholesky_solve_vector(&floored_factor, rhs_beta));
1250 if step_inside_trust_region(direct.view(), options.trust_region.radius, metric_weights)
1251 {
1252 return Ok((direct, Some(floored_factor), ArrowPcgDiagnostics::default()));
1253 }
1254 let identity = IdentityPreconditioner;
1255 let (delta, diag) = steihaug_dense_system(
1256 &floored,
1257 rhs_beta,
1258 &identity,
1259 &ArrowPcgOptions {
1260 max_iterations: options.trust_region.max_iterations,
1261 relative_tolerance: options.trust_region.steihaug_relative_tolerance,
1262 },
1263 &options.trust_region,
1264 metric_weights,
1265 )?;
1266 return Ok((delta, Some(floored_factor), diag));
1267 }
1268 return Err(ArrowSchurError::SchurFactorFailed {
1269 reason: format!(
1270 "reduced Schur complement Cholesky succeeded but is ill-conditioned \
1271 (kappa_estimate={schur_kappa:e}); accumulated per-row \
1272 (H_tt)⁻¹ contamination would yield an inaccurate Δβ"
1273 ),
1274 });
1275 }
1276 // Reduced-system solve. The f64 `factor` is always retained and returned —
1277 // its diagonal is the EXACT `log|S|` the evidence path reads, so the logdet
1278 // stays f64 regardless of how Δβ is computed (#1014 invariant). When the
1279 // streaming/residency path enabled certified mixed precision, the Δβ solve
1280 // itself runs f32-then-f64-refined (κ-gated, with the f64 triangular solve
1281 // as the automatic fallback); the certificate is the f64 backward error.
1282 let direct = mixed_precision_reduced_beta(schur, &factor, rhs_beta, options)
1283 .unwrap_or_else(|| cholesky_solve_vector(&factor, rhs_beta));
1284 if step_inside_trust_region(direct.view(), options.trust_region.radius, metric_weights) {
1285 return Ok((direct, Some(factor), ArrowPcgDiagnostics::default()));
1286 }
1287
1288 // Ceres-style trust-region correction: once the dense BA solve proposes a
1289 // step outside the trust ball, Steihaug-CG returns the boundary point
1290 // without requiring a second dense factorization.
1291 let identity = IdentityPreconditioner;
1292 let (delta, diag) = steihaug_dense_system(
1293 schur,
1294 rhs_beta,
1295 &identity,
1296 &ArrowPcgOptions {
1297 max_iterations: options.trust_region.max_iterations,
1298 relative_tolerance: options.trust_region.steihaug_relative_tolerance,
1299 },
1300 &options.trust_region,
1301 metric_weights,
1302 )?;
1303 Ok((delta, Some(factor), diag))
1304}
1305
1306pub(crate) fn step_inside_trust_region(
1307 step: ArrayView1<'_, f64>,
1308 radius: f64,
1309 metric_weights: Option<&MetricWeights>,
1310) -> bool {
1311 !radius.is_finite() || metric_norm(step, metric_weights) <= radius
1312}
1313
1314/// Below this row count the per-row Schur loop stays sequential: the rayon
1315/// fan-out (chunk dispatch + the deterministic per-chunk length-`K` reduction)
1316/// costs more than it saves for the handful-of-rows arrow systems that dominate
1317/// the non-SAE callers. Above it — the SAE LLM shape (`n` in the thousands,
1318/// wide border `k`) that issue #1017 names — the per-row `H_βt (H_tt)⁻¹ H_tβ x`
1319/// contributions are the matvec's whole cost and parallelize cleanly.
1320pub(crate) const SCHUR_MATVEC_PARALLEL_ROW_MIN: usize = 256;
1321
1322/// Below this border width `k` the dense `H_ββ` penalty-prologue GEMV stays
1323/// sequential: parallelizing a `k×k` matvec only pays once `k²` is large enough
1324/// to dwarf the rayon fan-out, which for the arrow callers with narrow borders
1325/// it never is. At the SAE LLM border (`k` in the low thousands) the `O(k²)`
1326/// prologue is ≈4M flops/CG-iteration and was the serial Amdahl ceiling on the
1327/// otherwise per-row-parallel matvec (#1017), so it crosses this threshold and
1328/// fans out. 512 keeps the prologue serial for every non-SAE arrow system while
1329/// engaging it for the wide SAE/Qwen borders the issue targets.
1330pub(crate) const SCHUR_PROLOGUE_PARALLEL_K_MIN: usize = 512;
1331
1332/// Device-residency CPU analogue for the SAE reduced-Schur matvec (#1017).
1333///
1334/// In the production SAE joint fit the per-row cross-block factors as
1335/// `H_tβ^(i) = L_i P_i`, where `L_i` (`q_i × p`) is the row's local
1336/// assignment/coordinate Jacobian and `P_i` (`p × K`, sparse) gathers the
1337/// active atoms' decoder blocks (`P_i x = Σ_s φ_s · x[base_s .. base_s+p]`).
1338/// The reduced-Schur point-elimination contribution of one row is therefore
1339///
1340/// ```text
1341/// S_i x = H_βt^(i) (H_tt^(i)+ρ_t I)⁻¹ H_tβ^(i) x
1342/// = P_iᵀ · [ L_iᵀ (H_tt^(i)+ρ_t I)⁻¹ L_i ] · P_i x
1343/// = P_iᵀ G_i (P_i x), G_i := L_iᵀ (H_tt^(i)+ρ_t I)⁻¹ L_i (p×p).
1344/// ```
1345///
1346/// The block `G_i = L_iᵀ Y_i` depends only on the assembled per-row blocks and
1347/// the (already-computed, solve-stable) `H_tt` factor — NOT on the CG iterate
1348/// `x`. The generic `schur_matvec` re-walks `apply_jbeta → apply_l →
1349/// solve(d×d) → apply_l_t → scatter` on every CG iteration; this object **stages
1350/// the factors `(L_i, Y_i)` once per CG solve** (the "upload X once" residency
1351/// mechanism, applied on CPU to the matvec rather than a dense factorization),
1352/// turning each subsequent matvec into a sparse gather → two `di×p` GEMVs →
1353/// sparse scatter, with no per-iteration triangular solve and no operator-closure
1354/// re-walk. It never materialises the dense `p×p` product: `di ≪ p` for SAE
1355/// rows, so the factored apply is `2·support_i·p + 2·di·p` flops/row — the two
1356/// `di·p` GEMVs PLUS the `support_i·p` sparse gather (`P_i x`) and `support_i·p`
1357/// sparse scatter (`P_iᵀ prod`) — versus the dense `p²` block apply, and
1358/// `O(n·di·p)` memory (vs `O(n·p²)` ≈ 67 GB at the Qwen shape — the dense form
1359/// is OOM). For dense/full active support `support_i` can scale with the active
1360/// β-columns, so the gather/scatter term is NOT negligible and is counted here.
1361///
1362/// Numerically identical to the generic path up to floating-point reassociation
1363/// (it differentiates and accumulates the SAME quotient). It is deterministic
1364/// run-to-run and within the reassociation margin of the serial path, so the
1365/// criterion ranking across topology candidates is stable except for candidates
1366/// separated by less than that f64 margin, where reassociation can flip the
1367/// near-tie winner — it is NOT an exact no-move guarantee (#1211).
1368pub struct SaeResidentReducedSchur {
1369 /// Decoder output dimension `p` (the side length of every `G_i = L_iᵀ Y_i`).
1370 pub(crate) p: usize,
1371 /// Per-row **factored** residency: `(L_i, Y_i)`, each stored row-major as a
1372 /// `di × p` slab (`L_i` = local Jacobian, `Y_i = (H_tt^(i)+ρ_t I)⁻¹ L_i`).
1373 /// The reduced block is `G_i = L_iᵀ Y_i` (`p×p`, symmetric PSD), but it has
1374 /// rank ≤ `di` and `di ≪ p` for SAE rows (the per-row latent dim is 1–2
1375 /// while `p` is the decoder block width, ~2048). Materialising the dense
1376 /// `p×p` block would cost `O(n·p²)` memory (≈67 GB at the Qwen shape) and
1377 /// `p²` flops per matvec/row; the factored form costs `O(n·di·p)` memory and
1378 /// `2·support_i·p + 2·di·p` flops/row, applying `G_i v = L_iᵀ (Y_i v)`
1379 /// (sparse gather over `support_i` atoms → `di`-length GEMV → `p`-length
1380 /// GEMV → sparse scatter over `support_i` atoms). The `2·support_i·p`
1381 /// gather/scatter term is part of the per-row cost — for dense/full support
1382 /// `support_i` scales with active β-columns — and is not dropped. A row with
1383 /// empty active support / degenerate dims gets `di = 0` and is skipped.
1384 /// `(di, L_i, Y_i)` per row; `L_i`/`Y_i` are `di·p`-length row-major buffers.
1385 pub(crate) rows: Vec<ResidentRowFactor>,
1386 /// Per-row active atom support `(β-block base index, φ weight)`, shared with
1387 /// the assembler's [`DeviceSaePcgData`] (no re-clone of the index lists).
1388 pub(crate) a_phi: Arc<[Vec<(usize, f64)>]>,
1389 /// #1033: per-row local Jacobian `L_i` (row-major `di × p`), SHARED via `Arc`
1390 /// with the assembler's [`DeviceSaePcgData`] rather than copied into each
1391 /// `ResidentRowFactor`. The staged factor previously held its own verbatim
1392 /// row-major copy of `data.local_jac[row]` — a second full `O(n·di·p)` slab
1393 /// for zero benefit (the bytes and the `di × p` layout are identical). The
1394 /// matvec now reads `L_i = &self.local_jac[row]` directly; only the SOLVED
1395 /// factor `Y_i = (H_tt+ρI)⁻¹ L_i` (genuinely new data) stays per-row. Reads
1396 /// are byte-for-byte the former `rf.l` (same slab, same `r·p + c` indexing),
1397 /// so the matvec/preconditioner output is bit-identical.
1398 pub(crate) local_jac: Arc<[Vec<f64>]>,
1399}
1400
1401/// Factored per-row residency block: `G_i = L_iᵀ Y_i` kept as its `di×p` factors
1402/// so the matvec never materialises the dense `p×p` product. The local Jacobian
1403/// factor `L_i` is NOT stored here — it is shared via
1404/// [`SaeResidentReducedSchur::local_jac`] (`&local_jac[row]`); only the solved
1405/// `Y_i` is per-row. See [`SaeResidentReducedSchur`].
1406pub(crate) struct ResidentRowFactor {
1407 /// Row latent dimension `di` (the inner contraction width). `0` ⇒ skipped.
1408 pub(crate) di: usize,
1409 /// `Y_i = (H_tt^(i)+ρ_t I)⁻¹ L_i` row-major `di × p`. Empty when `di == 0`.
1410 pub(crate) y: Vec<f64>,
1411}
1412
1413impl SaeResidentReducedSchur {
1414 /// Stage the per-row `G_i = L_iᵀ (H_tt^(i)+ρ_t I)⁻¹ L_i` blocks once, from
1415 /// the SAE structure (`DeviceSaePcgData`: `p`, per-row `a_phi`, per-row
1416 /// row-major `local_jac` = `L_i`) and the already-factored `H_tt` slab.
1417 ///
1418 /// Returns `None` when the structure does not match (degenerate `p`, row
1419 /// count mismatch) so the caller falls back to the generic matvec. Row
1420 /// builds are independent and run under the same deterministic rayon
1421 /// discipline as the matvec (each `G_i` is self-contained — no cross-row
1422 /// reduction — so there is no ordering subtlety).
1423 /// `ridge_t` is NOT a parameter: it is already folded into the factored
1424 /// blocks `htt_factors` carry (they factor `H_tt^(i) + ridge_t·I` — see
1425 /// `factor_blocks`), so solving against the factor yields `(H_tt^(i)+ρ_t I)⁻¹`
1426 /// exactly. The residency block is a pure function of the factor and `L_i`.
1427 pub(crate) fn build<B: BatchedBlockSolver + Sync>(
1428 sys: &ArrowSchurSystem,
1429 htt_factors: &ArrowFactorSlab,
1430 backend: &B,
1431 ) -> Option<Self> {
1432 let data = sys.device_sae_pcg.as_ref()?;
1433 let p = data.p;
1434 let n = sys.rows.len();
1435 if p == 0
1436 || sys.htbeta_dense_supplement
1437 || data.a_phi.len() != n
1438 || data.local_jac.len() != n
1439 {
1440 return None;
1441 }
1442 let empty = || ResidentRowFactor {
1443 di: 0,
1444 y: Vec::new(),
1445 };
1446 let build_row = |row: usize| -> ResidentRowFactor {
1447 let di = sys.row_dims[row];
1448 let jac = &data.local_jac[row];
1449 // q_i = len/p; must match the row's latent dimension di.
1450 if p == 0 || jac.len() != di * p || di == 0 {
1451 return empty();
1452 }
1453 // L_i as a (di × p) matrix (row-major in `local_jac`).
1454 let l_i = match ArrayView2::from_shape((di, p), jac.as_slice()) {
1455 Ok(v) => v.to_owned(),
1456 Err(_) => return empty(),
1457 };
1458 // Solve (H_tt+ρ_t I) Y = L_i for Y (di × p): one batched back-solve
1459 // over the p columns against the cached factor. Stage `(L_i, Y_i)`
1460 // — NOT the dense `p×p` product `G_i = L_iᵀ Y_i` — so storage and the
1461 // matvec stay `O(di·p)` instead of `O(p²)` (`di ≪ p` for SAE rows).
1462 let y = backend.solve_block_matrix(htt_factors.factor(row), l_i.view());
1463 // Flatten the SOLVED factor to a `di × p` row-major buffer (iteration
1464 // over a standard-layout view is row-major regardless of the source
1465 // strides, so the hot loop can index `r*p + c` directly). `L_i` is NOT
1466 // copied — the matvec reads it from the shared `local_jac` slab (it is
1467 // byte-for-byte `data.local_jac[row]`).
1468 let y_flat: Vec<f64> = y.iter().copied().collect();
1469 ResidentRowFactor { di, y: y_flat }
1470 };
1471 let rows: Vec<ResidentRowFactor> =
1472 if n >= SCHUR_MATVEC_PARALLEL_ROW_MIN && rayon::current_thread_index().is_none() {
1473 use rayon::prelude::*;
1474 (0..n).into_par_iter().map(build_row).collect()
1475 } else {
1476 (0..n).map(build_row).collect()
1477 };
1478 Some(Self {
1479 p,
1480 rows,
1481 a_phi: data.a_phi_shared(),
1482 local_jac: data.local_jac_shared(),
1483 })
1484 }
1485
1486 /// Accumulate one row's `S_i x = P_iᵀ G_i (P_i x) = P_iᵀ L_iᵀ Y_i (P_i x)`
1487 /// into `acc` (length `K`). `gather`/`prod` are caller-owned length-`p`
1488 /// buffers and `w` a caller-owned `≥ max_i di`-length buffer, all reused
1489 /// across rows to keep the hot loop allocation-free. The matvec applies the
1490 /// factored block in four steps: sparse gather `P_i x = Σ_s φ_s·x[base_s..]`
1491 /// (`support_i·p` flops), `w = Y_i·(P_i x)` (`di`-length, `di·p` flops),
1492 /// `prod = L_iᵀ·w` (`p`-length, `di·p` flops), and sparse scatter
1493 /// `acc += P_iᵀ prod` (`support_i·p` flops) — `2·support_i·p + 2·di·p`
1494 /// total, never the dense `p²` product. The gather/scatter `2·support_i·p`
1495 /// term is counted: it is not dominated by the GEMVs when the active support
1496 /// is wide.
1497 #[inline]
1498 pub(crate) fn row_into(
1499 &self,
1500 row: usize,
1501 x: &Array1<f64>,
1502 acc: &mut Array1<f64>,
1503 gather: &mut [f64],
1504 prod: &mut [f64],
1505 w: &mut [f64],
1506 ) {
1507 let rf = &self.rows[row];
1508 let di = rf.di;
1509 if di == 0 {
1510 return;
1511 }
1512 let p = self.p;
1513 let support = &self.a_phi[row];
1514 if support.is_empty() {
1515 return;
1516 }
1517 // Slice `x`/`acc` ONCE so the per-support gather/scatter (the dominant
1518 // `support·p` terms for wide active support) run over contiguous `f64`
1519 // slices — the compiler can prove unit stride and emit vectorized FMA,
1520 // where the former `x[base+j]`/`acc[base+j]` ndarray element indexing
1521 // forced a per-element strided lookup + bounds check that blocked
1522 // autovectorization. Every accumulation order is unchanged, so the
1523 // result is bit-identical to the ndarray-indexed form.
1524 let x_slice = x.as_slice().expect("resident matvec x must be contiguous");
1525 // P_i x = Σ_s φ_s · x[base_s .. base_s+p] (length p).
1526 let gather = &mut gather[..p];
1527 for v in gather.iter_mut() {
1528 *v = 0.0;
1529 }
1530 for &(base, phi) in support {
1531 if phi == 0.0 {
1532 continue;
1533 }
1534 let xrow = &x_slice[base..base + p];
1535 for (g, &xv) in gather.iter_mut().zip(xrow) {
1536 *g += phi * xv;
1537 }
1538 }
1539 // w = Y_i · (P_i x) (di × p GEMV → length di). Y_i row-major di×p.
1540 for r in 0..di {
1541 let yrow = &rf.y[r * p..r * p + p];
1542 let mut s = 0.0_f64;
1543 for (&yv, &gv) in yrow.iter().zip(gather.iter()) {
1544 s += yv * gv;
1545 }
1546 w[r] = s;
1547 }
1548 // prod = L_iᵀ · w (p × di GEMV → length p). L_i row-major di×p, so
1549 // L_iᵀ[j,r] = L_i[r,j]; accumulate column-by-column over the di rows.
1550 // `L_i` is the shared `local_jac[row]` slab (#1033) — byte-for-byte the
1551 // former per-row `rf.l` copy.
1552 let l_i = &self.local_jac[row];
1553 let prod = &mut prod[..p];
1554 for v in prod.iter_mut() {
1555 *v = 0.0;
1556 }
1557 for r in 0..di {
1558 let lrow = &l_i[r * p..r * p + p];
1559 let wr = w[r];
1560 for (pj, &lj) in prod.iter_mut().zip(lrow) {
1561 *pj += lj * wr;
1562 }
1563 }
1564 // acc += P_iᵀ prod = scatter φ_s · prod into base_s blocks.
1565 let acc_slice = acc
1566 .as_slice_mut()
1567 .expect("resident matvec acc must be contiguous");
1568 for &(base, phi) in support {
1569 if phi == 0.0 {
1570 continue;
1571 }
1572 let arow = &mut acc_slice[base..base + p];
1573 for (a, &pv) in arow.iter_mut().zip(prod.iter()) {
1574 *a += phi * pv;
1575 }
1576 }
1577 }
1578
1579 /// Max row latent dim `di` across resident rows — the size of the `w`
1580 /// scratch the matvec needs for the inner `Y_i·(P_i x)` GEMV.
1581 pub(crate) fn max_di(&self) -> usize {
1582 self.rows.iter().map(|r| r.di).max().unwrap_or(0)
1583 }
1584}
1585
1586/// Reduced-Schur matvec `out = S·x` with an optional pre-staged SAE residency
1587/// operator. When `resident` is `Some`, the per-row point-elimination term is
1588/// applied through the resident `p×p` blocks (#1017 CPU residency); otherwise it
1589/// falls back to the generic per-row `apply → solve → transpose` path. Both
1590/// routes accumulate the SAME reduced operator
1591/// `S = H_ββ + ρ_β I − Σ_i H_βt^(i)(H_tt^(i))⁻¹H_tβ^(i)`.
1592pub(crate) fn schur_matvec<B: BatchedBlockSolver + Sync>(
1593 sys: &ArrowSchurSystem,
1594 htt_factors: &ArrowFactorSlab,
1595 ridge_beta: f64,
1596 x: &Array1<f64>,
1597 out: &mut Array1<f64>,
1598 backend: &B,
1599 resident: Option<&SaeResidentReducedSchur>,
1600) {
1601 // `steihaug_cg` reuses one output buffer across iterations and requires
1602 // `matvec` to ASSIGN every entry of `out` (the contract `dense_matvec`
1603 // upholds). This routine builds `S·x` purely by accumulation
1604 // (`penalty_matvec_add`, `out[a] += ridge·x`, `out[a] -= neg_contrib`), so it
1605 // MUST clear `out` first. Without this, iteration n>0 returns `S·x` plus the
1606 // previous call's `S·p`, the PCG solves a corrupted reduced system, and the
1607 // resulting Newton step is inconsistent with the assembled gradient
1608 // (g·δ ≈ 0 — a non-descent direction that defeats the line search).
1609 out.fill(0.0);
1610 let k = sys.k;
1611 // Top-level (not nested in a rayon worker) and big enough to amortize the
1612 // fan-out: the single gate that authorizes BOTH the dense penalty-prologue
1613 // GEMV and the per-row point-elimination loop to go parallel. The topology
1614 // race fans candidates with `run_topology_race_parallel`, so inside a worker
1615 // both stay sequential (no nested-rayon oversubscription).
1616 let parallel =
1617 sys.rows.len() >= SCHUR_MATVEC_PARALLEL_ROW_MIN && rayon::current_thread_index().is_none();
1618 // Route the penalty-side (H_ββ + ridge·I) x product through the prologue:
1619 // no Arc-clone hot-path cost when penalty_op is None (falls back to hbb
1620 // inline); the dense fallback fans across cores at the wide SAE border (#1017).
1621 {
1622 let x_slice = x.as_slice().expect("x must be contiguous");
1623 let out_slice = out.as_slice_mut().expect("out must be contiguous");
1624 sys.penalty_ridge_prologue_into(x_slice, ridge_beta, out_slice, parallel);
1625 }
1626 // The reduced-Schur point-elimination term: `out -= Σ_i H_βt^(i) (H_tt^(i))⁻¹
1627 // H_tβ^(i) x`. Each row contributes an independent length-`K` vector, so for
1628 // the SAE LLM shape (#1017) this is the matvec's whole cost and is
1629 // embarrassingly parallel — reduced below through the deterministic pairwise
1630 // tree (see the block-fold comment) rather than a chunk-order fold.
1631 let p = resident.map(|r| r.p).unwrap_or(0);
1632 // #2228 determinism: the per-row length-`k` contributions
1633 // (`Σ_i H_βt^(i)(H_tt^(i))⁻¹ H_tβ^(i) x`) are reduced through the length-only
1634 // pairwise tree so the result is bit-identical across thread count AND to the
1635 // sequential fold — parallel and nested-serial evaluation agree to the last
1636 // bit, removing the #1017/#1211 chunk-reassociation margin that let the
1637 // criterion ranking depend on the driver. The tree self-serializes below
1638 // `BASE_CHUNK` rows (a base block is folded directly with no `rayon::join`),
1639 // so small systems and nested topology-race calls stay single-threaded
1640 // without a separate branch that could associate the round-off differently.
1641 // The resident path gathers → factored `di×p` GEMVs → scatter; the direct
1642 // path does a per-row block solve — both ADD their row's contribution into a
1643 // block-local accumulator, so splitting the row sum across the tree is exact.
1644 let n_rows = sys.rows.len();
1645 let contribution = gam_linalg::pairwise_reduce::par_deterministic_block_fold(
1646 n_rows,
1647 |range: core::ops::Range<usize>| {
1648 let mut acc = Array1::<f64>::zeros(k);
1649 if let Some(res) = resident {
1650 let mut gather = vec![0.0_f64; p];
1651 let mut prod = vec![0.0_f64; p];
1652 let mut w = vec![0.0_f64; res.max_di()];
1653 for i in range {
1654 res.row_into(i, x, &mut acc, &mut gather, &mut prod, &mut w);
1655 }
1656 } else {
1657 let mut local = Array1::<f64>::zeros(sys.d);
1658 for i in range {
1659 schur_matvec_row_into(sys, htt_factors, x, backend, i, &mut local, &mut acc);
1660 }
1661 }
1662 acc
1663 },
1664 |mut a: Array1<f64>, b: Array1<f64>| {
1665 a += &b;
1666 a
1667 },
1668 );
1669 if let Some(acc) = contribution {
1670 for a in 0..k {
1671 out[a] -= acc[a];
1672 }
1673 }
1674}
1675
1676/// #1017: the reduced-Schur operator `v ↦ S·v` staged ONCE per criterion
1677/// evaluation and reused across EVERY shifted / warm-started solve of the
1678/// rational-logdet (and SLQ) ladder — the widened-lifetime residency the #1017
1679/// device design calls for.
1680///
1681/// The rational-logdet criterion (`matrix_free_arrow_evidence_log_det_surrogate`)
1682/// walks SEVERAL shift ladders inside ONE evaluation: the `λ_max` power iteration
1683/// ([`reduced_schur_lambda_max`]), the pilot / deflation-derived plan build
1684/// ([`rational_reduced_schur_plan_derived`]), the value [`RationalLogdetPlan::
1685/// evaluate`], and the `(probes, S⁻¹·probes)` gradient bundle
1686/// ([`reduced_schur_inverse_probe_solves`]). Each formerly re-captured its own
1687/// inline `schur_matvec` closure over `(sys, htt_factors, ρ_β, backend,
1688/// resident)`. On CPU those captures are free; on the device lane they are the
1689/// per-solve FLATTEN — every ladder would re-marshal and re-upload the
1690/// ridge-independent operands (the factored `H_tt` slab, the framed `G ⊗ W`, the
1691/// dense per-row cross blocks) that are INVARIANT across the whole evaluation.
1692///
1693/// This object is the single operator every ladder borrows: the invariant state
1694/// (`sys`, the factored `H_tt` slab, the `ρ_β` border, the pre-staged CPU
1695/// [`SaeResidentReducedSchur`] frame, and — when engaged — a device-resident
1696/// [`GpuSchurMatvec`] whose per-row factors upload ONCE) lives for the whole
1697/// evaluation, so a shifted solve reuses the resident operator instead of
1698/// re-staging it. Every `apply` accumulates the SAME reduced operator
1699/// `S = (H_ββ + ρ_β I) − Σ_i H_βt^(i)(H_tt^(i)+ρ_t I)⁻¹H_tβ^(i)` regardless of
1700/// lane. With `gpu_matvec == None` (every current construction) the result is
1701/// byte-for-byte the pre-context inline `schur_matvec` closure; the `gpu_matvec`
1702/// seam is where a device operator, built once per evaluation, is threaded through
1703/// the ladder (the reported #1017 next increment).
1704pub(crate) struct ReducedSchurOperator<'a, B: BatchedBlockSolver + Sync> {
1705 sys: &'a ArrowSchurSystem,
1706 htt_factors: &'a ArrowFactorSlab,
1707 ridge_beta: f64,
1708 backend: &'a B,
1709 resident: Option<&'a SaeResidentReducedSchur>,
1710 gpu_matvec: Option<&'a GpuSchurMatvec>,
1711}
1712
1713impl<'a, B: BatchedBlockSolver + Sync> ReducedSchurOperator<'a, B> {
1714 /// The CPU/host operator — the byte-identical default. Every shifted solve in
1715 /// the evaluation reuses the same pre-staged `resident` frame (or the generic
1716 /// per-row `apply → solve → transpose` when `resident` is `None`).
1717 pub(crate) fn new(
1718 sys: &'a ArrowSchurSystem,
1719 htt_factors: &'a ArrowFactorSlab,
1720 ridge_beta: f64,
1721 backend: &'a B,
1722 resident: Option<&'a SaeResidentReducedSchur>,
1723 ) -> Self {
1724 Self {
1725 sys,
1726 htt_factors,
1727 ridge_beta,
1728 backend,
1729 resident,
1730 gpu_matvec: None,
1731 }
1732 }
1733
1734 /// Attach a device-resident [`GpuSchurMatvec`] (built ONCE per evaluation) so
1735 /// the whole ladder applies `S·v` on device without a per-solve re-upload.
1736 /// #1017 next increment: the caller that owns the device operand upload builds
1737 /// the operator once and calls this; until then every construction is CPU
1738 /// (`gpu_matvec == None`), so the lane stays byte-identical.
1739 pub(crate) fn with_gpu_matvec(mut self, gpu_matvec: Option<&'a GpuSchurMatvec>) -> Self {
1740 self.gpu_matvec = gpu_matvec;
1741 self
1742 }
1743
1744 /// `out = S·x`. Both lanes CLEAR and fully assign `out`, so a fresh zeroed
1745 /// buffer per apply is correct (and the shift-ladder CG contract is upheld).
1746 #[inline]
1747 pub(crate) fn apply_into(&self, x: &Array1<f64>, out: &mut Array1<f64>) {
1748 if let Some(quotient) = self.sys.beta_gauge_quotient.as_ref() {
1749 // Evidence operator on the quotient: `P S P + Q Q^T`. Apply the
1750 // original reduced Schur only to `P x`, project its result once more,
1751 // then add the unit Faddeev--Popov pin. The same arithmetic is used by
1752 // dense `pin_reduced_schur`, so SLQ/rational-logdet values and dense
1753 // Cholesky values represent the identical operator.
1754 let projected_x = quotient.project_complement(x.view());
1755 if let Some(gpu) = self.gpu_matvec {
1756 gpu(&projected_x, out);
1757 } else {
1758 schur_matvec(
1759 self.sys,
1760 self.htt_factors,
1761 self.ridge_beta,
1762 &projected_x,
1763 out,
1764 self.backend,
1765 self.resident,
1766 );
1767 }
1768 let mut projected_out = quotient.project_complement(out.view());
1769 for direction in quotient.directions.iter() {
1770 projected_out.scaled_add(direction.dot(x), direction);
1771 }
1772 out.assign(&projected_out);
1773 } else {
1774 if let Some(gpu) = self.gpu_matvec {
1775 gpu(x, out);
1776 } else {
1777 schur_matvec(
1778 self.sys,
1779 self.htt_factors,
1780 self.ridge_beta,
1781 x,
1782 out,
1783 self.backend,
1784 self.resident,
1785 );
1786 }
1787 }
1788
1789 if let Some(conditioning) = self.sys.exact_a_reduced_conditioning.as_ref() {
1790 assert_eq!(conditioning.directions.len(), conditioning.shifts.len());
1791 for (direction, &shift) in conditioning
1792 .directions
1793 .iter()
1794 .zip(conditioning.shifts.iter())
1795 {
1796 assert_eq!(direction.len(), self.sys.k);
1797 out.scaled_add(shift * direction.dot(x), direction);
1798 }
1799 }
1800 }
1801
1802 /// `S·v` into a fresh length-`k` vector — the shift-ladder matvec-closure form
1803 /// (`|v: ArrayView1| op.apply(v)`). Byte-for-byte the inline
1804 /// `let x = v.to_owned(); schur_matvec(…, &x, &mut zeros(k), …)` it replaces.
1805 #[inline]
1806 pub(crate) fn apply(&self, v: ArrayView1<f64>) -> Array1<f64> {
1807 let x = v.to_owned();
1808 let mut out = Array1::<f64>::zeros(self.sys.k);
1809 self.apply_into(&x, &mut out);
1810 out
1811 }
1812
1813 /// `S·x` into a fresh vector from an already-owned `&Array1` (no redundant copy
1814 /// of a vector the caller already owns) — the power-iteration / CG-solve form.
1815 #[inline]
1816 pub(crate) fn apply_owned(&self, x: &Array1<f64>) -> Array1<f64> {
1817 let mut out = Array1::<f64>::zeros(self.sys.k);
1818 self.apply_into(x, &mut out);
1819 out
1820 }
1821}
1822
1823/// Matrix-free reduced-Schur log-determinant `log|S|` via Stochastic Lanczos
1824/// Quadrature on the exact `schur_matvec` apply `v ↦ S·v`, where
1825/// `S = (H_ββ + ρ_β I) − Σ_i H_βt^(i)(H_tt^(i)+ρ_t I)⁻¹H_tβ^(i)` is the SPD
1826/// reduced Schur. **The dense `k×k` `S` is NEVER formed.**
1827///
1828/// This is the memory-matrix-free evidence path for the massive-K manifold SAE.
1829/// The dense evidence routes assemble `S` explicitly (`O(k²)` ≈ 8 GB at the
1830/// K=32k border) and Cholesky-factor it (`O(k³/3)`) purely to read `Σ 2·log Lᵢᵢ`;
1831/// that dense assembly + factor is the massive-K wall (both dense evidence
1832/// routes REFUSE above the in-core budget). Here peak memory is `O(k)` — the SLQ
1833/// Rademacher probe and Lanczos basis vectors — and the cost is
1834/// `O(num_probes·lanczos_steps · matvec)`, each matvec the same `O(n·d·k)`
1835/// reduced-Schur apply the PCG hot loop already runs. Deterministic for a fixed
1836/// `(sys, htt_factors, ρ_β, resident, num_probes, lanczos_steps, seed)` so the
1837/// REML evidence outer loop stays reproducible.
1838///
1839/// `htt_factors` are the per-row `(H_tt^(i)+ρ_t I)` Cholesky factors; `resident`
1840/// is the optional pre-staged SAE residency operator (`None` for the framed /
1841/// closure `H_tβ` path). SLQ is an ESTIMATE; callers that need the exact dense
1842/// log-det at small `k` must stay on the dense route.
1843///
1844/// Crate-internal because the `resident` parameter carries the `pub(crate)`
1845/// [`SaeResidentReducedSchur`] operator; cross-crate callers use the
1846/// [`matrix_free_arrow_evidence_log_det`] convenience, which stages residency
1847/// internally and exposes no crate-private type.
1848pub(crate) fn slq_reduced_schur_log_det<B: BatchedBlockSolver + Sync>(
1849 sys: &ArrowSchurSystem,
1850 htt_factors: &ArrowFactorSlab,
1851 ridge_beta: f64,
1852 backend: &B,
1853 resident: Option<&SaeResidentReducedSchur>,
1854 gpu_matvec: Option<&GpuSchurMatvec>,
1855 evidence_policy: ArrowEvidencePolicy,
1856 num_probes: usize,
1857 lanczos_steps: usize,
1858 seed: u64,
1859) -> Result<SlqLogDet, ArrowSchurError> {
1860 let k = sys.k;
1861 // Stage the reduced-Schur operator ONCE; every probe/Lanczos apply reuses the
1862 // pre-staged residency (no per-apply operator re-capture). The probes fan
1863 // across rayon workers (in `slq_logdet`), and `schur_matvec`'s own row
1864 // parallelism is guarded off inside a worker, so there is no nested
1865 // oversubscription. When `gpu_matvec` is `Some` (the #1017 Phase-3 device
1866 // seam, built once for the whole evidence evaluation), EVERY Rademacher-probe
1867 // Lanczos apply runs through the single resident device `S·v`; when `None`
1868 // the byte-identical CPU `schur_matvec` lane is taken.
1869 let op = ReducedSchurOperator::new(sys, htt_factors, ridge_beta, backend, resident)
1870 .with_gpu_matvec(gpu_matvec);
1871 // The evidence log|S| must obey the SAME conditioning convention as the dense
1872 // reduced-Schur factor (#2308). Under `UnitDeflation` a collapsed / near-null
1873 // decoder direction is pinned to unit stiffness (`ln 1 = 0`), so the SLQ
1874 // estimate uses the unit-deflated spectral function `φ(θ)=θ≥floor ? ln θ : 0`
1875 // instead of the plain `ln` (which would floor a sub-null Ritz value to
1876 // `RITZ_LN_FLOOR`, contributing `≈ −690` per collapsed direction and a
1877 // ρ-dependent Occam reward). `Strict` / `PositiveDefinite` keep the plain SPD
1878 // estimator — they never form an undamped evidence with nulls.
1879 match evidence_policy {
1880 ArrowEvidencePolicy::UnitDeflation { relative_floor } => Ok(slq_logdet_unit_deflated(
1881 k,
1882 |v| op.apply(v),
1883 num_probes,
1884 lanczos_steps,
1885 seed,
1886 relative_floor,
1887 )
1888 .as_logdet()),
1889 // #2515 — a negative Ritz value is a Rayleigh quotient of raw A, not a
1890 // saddle verdict. Lift each Ritz direction and ask the same typed
1891 // B-metric/clamp-basin classifier as the dense and direct-arrow routes.
1892 ArrowEvidencePolicy::UnitDeflationRefusingIndefinite {
1893 relative_floor: _,
1894 } => {
1895 if sys.exact_a_classification.is_none() {
1896 return Err(ArrowSchurError::SchurFactorFailed {
1897 reason: "matrix-free exact-A evidence policy requires the raw B/delta/clamp \
1898 classification carrier"
1899 .to_string(),
1900 });
1901 }
1902 slq_logdet_exact_a_classified(
1903 k,
1904 |v| op.apply(v),
1905 |direction| {
1906 exact_a_reduced_direction_metrics(
1907 sys,
1908 htt_factors,
1909 ridge_beta,
1910 direction,
1911 )
1912 .map_err(|error| error.to_string())
1913 },
1914 num_probes,
1915 lanczos_steps,
1916 seed,
1917 )
1918 .map_err(|reason| ArrowSchurError::SchurFactorFailed { reason })
1919 }
1920 ArrowEvidencePolicy::Strict | ArrowEvidencePolicy::PositiveDefinite => {
1921 Ok(slq_logdet(k, |v| op.apply(v), num_probes, lanczos_steps, seed))
1922 }
1923 }
1924}
1925
1926/// #1017 Phase-3: build the reduced-Schur device matvec ONCE for a matrix-free
1927/// evidence log-det evaluation, so the whole rational-logdet + SLQ ladder applies
1928/// `S·v` through a single device-resident operator (uploaded / pre-factored once)
1929/// rather than re-capturing the CPU `schur_matvec` per probe / shifted solve. The
1930/// PCG numerics are identical whether the matvec runs on host or device (same
1931/// reduced Schur operator, same f64 accumulation), so engaging it changes only
1932/// where the `Σ_i H_βt(H_tt)⁻¹H_tβ` flops execute.
1933///
1934/// Same admission contract as the PCG matvec offload ([`maybe_inject_gpu_schur_matvec`]):
1935/// declines (returns `None`, so every apply stays on the byte-identical CPU lane)
1936/// when cross-row penalties or streaming are present, the work predicate rejects
1937/// the shape, or no live device is present. `apply_budget` is the amortising apply
1938/// count for the shape predicate — the reduced-Schur matvec is `O(n·d·k)` per
1939/// apply and the evidence ladder runs that apply across every probe / Lanczos /
1940/// shifted-CG step, so a large budget is the honest amortisation the offload
1941/// break-even is measured against.
1942pub(crate) fn maybe_build_evidence_gpu_matvec(
1943 sys: &ArrowSchurSystem,
1944 ridge_t: f64,
1945 ridge_beta: f64,
1946 options: &ArrowSolveOptions,
1947 apply_budget: usize,
1948) -> Result<Option<GpuSchurMatvec>, ArrowSchurError> {
1949 // A caller-supplied operator (threaded through `options.gpu_matvec`) already
1950 // owns its residency; the caller passes it directly, so never double-build.
1951 if options.gpu_matvec.is_some() {
1952 return Ok(None);
1953 }
1954 if !sys.cross_row_penalties.is_empty() || options.streaming_chunk_size.is_some() {
1955 return Ok(None);
1956 }
1957 // Size gate BEFORE the device probe (startup-tax ordering): the predicate
1958 // reads only associated constants, so a shape it rejects skips
1959 // runtime availability resolution (whose first call creates a CUDA primary context on
1960 // every GPU); an admitted shape probes exactly as the PCG seam does.
1961 if !gam_gpu::GpuDispatchPolicy::default().reduced_schur_matvec_should_offload(
1962 sys.rows.len(),
1963 sys.k,
1964 sys.d,
1965 apply_budget.max(1),
1966 ) {
1967 return Ok(None);
1968 }
1969 if gam_gpu::device_runtime::GpuRuntime::resolve(options.gpu_policy)
1970 .map_err(|error| ArrowSchurError::SchurFactorFailed {
1971 reason: format!("evidence GPU runtime resolution failed: {error}"),
1972 })?
1973 .is_none()
1974 {
1975 return Ok(None);
1976 }
1977 // #1017: framed matrix-free system with resident device operands — prefer the
1978 // device-resident DETERMINISTIC reduced-Schur apply (upload operands once,
1979 // cross only x/out per apply, atomics-free so the SLQ log|S| determinism
1980 // contract holds) over the CPU row-procedural closure `gpu_schur_matvec_backend`
1981 // returns for `htbeta_matvec` systems. Declines (no device / shape / non-PD at
1982 // this ridge) fall through to the backend/CPU path. Non-Linux/CPU: this always
1983 // returns `None` (no `device_sae_pcg`), so the lane is byte-identical.
1984 // `Unavailable` is the device saying "not this shape/config", which is a
1985 // DECLINE and not a fault: every other exit from this function reports a
1986 // decline as `Ok(None)`, the CPU lane, and the sibling device seam at
1987 // `solve_reduced_beta_pcg` above already falls through on the same variant.
1988 // Surfacing it as an error made a host WITH a GPU fail where a CPU-only host
1989 // returned `Ok(None)` at the runtime probe and passed. Genuine faults
1990 // (`RidgeBumpRequired`, `SchurFactorFailed`) still surface.
1991 if sys.device_sae_pcg.is_some() {
1992 match crate::gpu_kernels::arrow_schur::build_framed_resident_evidence_matvec(
1993 sys,
1994 ridge_t,
1995 ridge_beta,
1996 apply_budget.max(1),
1997 ) {
1998 Ok(Some(matvec)) => return Ok(Some(matvec)),
1999 Ok(None) => {}
2000 Err(crate::gpu_kernels::arrow_schur::ArrowSchurGpuFailure::Unavailable) => {
2001 log::debug!("resident evidence matvec build: device unavailable; CPU matvec");
2002 }
2003 Err(failure) => {
2004 return Err(device_failure_as_arrow_error(
2005 "resident evidence matvec build",
2006 failure,
2007 ));
2008 }
2009 }
2010 }
2011 match crate::gpu_kernels::arrow_schur::gpu_schur_matvec_backend(sys, ridge_t, ridge_beta) {
2012 Ok(matvec) => Ok(Some(matvec)),
2013 Err(crate::gpu_kernels::arrow_schur::ArrowSchurGpuFailure::Unavailable) => Ok(None),
2014 Err(failure) => Err(device_failure_as_arrow_error("evidence matvec build", failure)),
2015 }
2016}
2017
2018/// Fixed configuration for the #2080 rational-surrogate evidence lane: the probe
2019/// count, seeds, quadrature/CG tolerances, and derived-rank deflation budget the
2020/// [`SurrogateLaneState`] plan is (re)built with. The caller (the SAE streaming
2021/// criterion) supplies these once; `deflation_target_std_err_rel` is the derived
2022/// bar `0.1 · STALL_REL_TOL` (see [`rational_reduced_schur_plan_derived`]).
2023#[derive(Clone)]
2024pub struct SurrogateLaneConfig {
2025 pub num_probes: usize,
2026 pub seed: u64,
2027 pub rel_tol: f64,
2028 pub power_iters: usize,
2029 pub cg_rel_tol: f64,
2030 pub cg_max_iters: usize,
2031 pub deflation_max_rank: usize,
2032 pub deflation_subspace_iters: usize,
2033 pub deflation_target_std_err_rel: f64,
2034}
2035
2036/// Per-outer-solve state for the #2080 rational-surrogate evidence lane. Holds
2037/// the FROZEN derived-rank plan — probes, bracket-centred quadrature, and Hutch++
2038/// `Q`, all fixed once at the entry ρ so value and gradient stay a single
2039/// functional across the ρ sweep — plus the config to (re)build it when the
2040/// reduced-Schur dimension changes (a basin mutation between outer solves).
2041/// Threaded as `Option<&mut _>` through the streaming criterion; `None` keeps the
2042/// bit-identical SLQ path.
2043pub struct SurrogateLaneState {
2044 plan: Option<RationalLogdetPlan>,
2045 cfg: SurrogateLaneConfig,
2046 /// When set, the next matrix-free evidence eval also computes the shared
2047 /// `(probes, S⁻¹·probes)` bundle for EFS/MacKay proposal traces and stashes
2048 /// it in `inverse_probes`. It is never an outer gradient artifact: the fixed
2049 /// rational value's derivative is `logdet_derivative_bundle` below.
2050 request_inverse_probes: bool,
2051 /// The last-computed shared bundle: the FROZEN plan's probes `v_j` and their
2052 /// `S⁻¹ v_j` (t = 0) solves at the current operator. One bundle drives every
2053 /// selected-inverse trace `tr(S⁻¹·M) ≈ (1/m)Σ_j (S⁻¹v_j)ᵀ(M v_j)` off the
2054 /// same frozen raw probes as the value plan. This is useful for EFS trace
2055 /// proposals but is not the derivative of the shifted rational value.
2056 inverse_probes: Option<(Vec<Array1<f64>>, Vec<Array1<f64>>)>,
2057 /// Request/stash the lossless weighted derivative representation emitted by
2058 /// the next rational value evaluation. Unlike `inverse_probes`, this is the
2059 /// derivative of the fixed rational surrogate itself (all shifted solves and
2060 /// frozen-Q columns), and is the only bundle admissible for its outer
2061 /// gradient.
2062 request_logdet_derivative_bundle: bool,
2063 logdet_derivative_bundle: Option<RationalLogdetDerivativeBundle>,
2064 /// The previous ρ's `S⁻¹ v_j` solves, kept as the CG warm-start for the next
2065 /// bundle solve. `S⁻¹` is smooth in ρ, so a neighbouring-ρ solution is a near
2066 /// seed (common-random-numbers reuse — the discipline that makes the
2067 /// surrogate's shifted ladder cheap); the converged solve is unchanged to
2068 /// `cg_rel_tol`, only its iteration count drops. Cleared when the plan rebuilds
2069 /// (basin border change ⇒ the old-dim seeds are meaningless).
2070 warm_inverse_probes: Option<Vec<Array1<f64>>>,
2071}
2072
2073impl SurrogateLaneState {
2074 /// A lane with no plan yet — the first evaluation builds and freezes it.
2075 pub fn new(cfg: SurrogateLaneConfig) -> Self {
2076 Self {
2077 plan: None,
2078 cfg,
2079 request_inverse_probes: false,
2080 inverse_probes: None,
2081 request_logdet_derivative_bundle: false,
2082 logdet_derivative_bundle: None,
2083 warm_inverse_probes: None,
2084 }
2085 }
2086
2087 /// The frozen plan, once built (for the gradient lane, which contracts
2088 /// against the SAME `Q` the value used).
2089 pub fn plan(&self) -> Option<&RationalLogdetPlan> {
2090 self.plan.as_ref()
2091 }
2092
2093 /// Ask the next matrix-free evidence eval to also emit the shared
2094 /// `(probes, S⁻¹·probes)` bundle. Clears any stale bundle so a failed or
2095 /// skipped eval cannot hand back last call's solves.
2096 pub fn request_inverse_probes(&mut self) {
2097 self.request_inverse_probes = true;
2098 self.inverse_probes = None;
2099 }
2100
2101 /// Take the shared bundle produced by the most recent eval, if requested and
2102 /// computed. Consumes it so a later gradient read cannot reuse stale solves.
2103 pub fn take_inverse_probes(&mut self) -> Option<(Vec<Array1<f64>>, Vec<Array1<f64>>)> {
2104 self.request_inverse_probes = false;
2105 self.inverse_probes.take()
2106 }
2107
2108 /// Ask the next rational value evaluation to retain its complete weighted
2109 /// derivative representation. Clears stale output eagerly so a failed value
2110 /// cannot be paired with a previous operator's gradient.
2111 pub fn request_logdet_derivative_bundle(&mut self) {
2112 self.request_logdet_derivative_bundle = true;
2113 self.logdet_derivative_bundle = None;
2114 }
2115
2116 /// Consume the derivative representation produced by the most recent
2117 /// requested rational value evaluation.
2118 pub fn take_logdet_derivative_bundle(&mut self) -> Option<RationalLogdetDerivativeBundle> {
2119 self.request_logdet_derivative_bundle = false;
2120 self.logdet_derivative_bundle.take()
2121 }
2122}
2123
2124/// Split arrow-Schur evidence `log|H| = Σ log|H_tt| + log|S|` where the reduced
2125/// Schur term is estimated by the #2080 rational surrogate rather than SLQ, on
2126/// ONE shared factorization. The build-once companion to
2127/// `matrix_free_arrow_evidence_log_det`:
2128///
2129/// - `lane = None` runs the identical `slq_reduced_schur_log_det` path — a
2130/// bit-for-bit fallback so a caller that has not opted in is unchanged.
2131/// - `lane = Some(state)` builds (or, when the reduced-Schur dimension is
2132/// unchanged, reuses) the frozen derived-rank [`RationalLogdetPlan`] and
2133/// evaluates it against the current operator. The plan's `Q`/probes/quadrature
2134/// are fixed at first build, so only the matrix-free `S·v` apply moves with ρ —
2135/// the value and its `RationalLogdetPlan::directional_derivative` gradient
2136/// remain one functional.
2137///
2138/// Returns `(log_det_tt, log_det_schur)`; the caller adds them for the evidence.
2139pub fn matrix_free_arrow_evidence_log_det_surrogate(
2140 sys: &ArrowSchurSystem,
2141 ridge_t: f64,
2142 ridge_beta: f64,
2143 options: &ArrowSolveOptions,
2144 slq_num_probes: usize,
2145 slq_lanczos_steps: usize,
2146 slq_seed: u64,
2147 lane: Option<&mut SurrogateLaneState>,
2148) -> Result<(f64, f64), ArrowSchurError> {
2149 let (log_det_tt, log_det_schur, _factors) = matrix_free_arrow_evidence_log_det_surrogate_core(
2150 sys,
2151 ridge_t,
2152 ridge_beta,
2153 options,
2154 slq_num_probes,
2155 slq_lanczos_steps,
2156 slq_seed,
2157 lane,
2158 )?;
2159 Ok((log_det_tt, log_det_schur))
2160}
2161
2162/// One matrix-free evidence value together with the exact row geometry that
2163/// produced it. The reduced-Schur derivative bundle emitted through
2164/// [`SurrogateLaneState`] is only meaningful when lifted through these same row
2165/// factors and cross blocks; retaining a different operator's factor cache
2166/// silently differentiates a different log determinant.
2167pub struct MatrixFreeArrowEvidenceEvaluation {
2168 pub log_det_tt: f64,
2169 pub log_det_schur: f64,
2170 pub factor_cache: ArrowFactorCache,
2171}
2172
2173impl MatrixFreeArrowEvidenceEvaluation {
2174 #[must_use]
2175 pub fn log_det(&self) -> f64 {
2176 self.log_det_tt + self.log_det_schur
2177 }
2178}
2179
2180/// Gradient-bearing form of
2181/// [`matrix_free_arrow_evidence_log_det_surrogate`]. Value, rational derivative,
2182/// and row factors are emitted by one factorization; consumers therefore cannot
2183/// pair the derivative of one reduced operator with another operator's row
2184/// elimination geometry.
2185pub fn matrix_free_arrow_evidence_evaluation(
2186 sys: &ArrowSchurSystem,
2187 ridge_t: f64,
2188 ridge_beta: f64,
2189 options: &ArrowSolveOptions,
2190 slq_num_probes: usize,
2191 slq_lanczos_steps: usize,
2192 slq_seed: u64,
2193 lane: &mut SurrogateLaneState,
2194) -> Result<MatrixFreeArrowEvidenceEvaluation, ArrowSchurError> {
2195 if ridge_t != 0.0 || ridge_beta != 0.0 {
2196 return Err(ArrowSchurError::SchurFactorFailed {
2197 reason: format!(
2198 "gradient-bearing evidence must be undamped, got ridge_t={ridge_t:e}, \
2199 ridge_beta={ridge_beta:e}"
2200 ),
2201 });
2202 }
2203 let (log_det_tt, log_det_schur, factorization) =
2204 matrix_free_arrow_evidence_log_det_surrogate_core(
2205 sys,
2206 ridge_t,
2207 ridge_beta,
2208 options,
2209 slq_num_probes,
2210 slq_lanczos_steps,
2211 slq_seed,
2212 Some(lane),
2213 )?;
2214 let factor_cache = ArrowFactorCache {
2215 htt_factors: factorization.factors,
2216 htt_factors_undamped: ArrowUndampedFactors::SameAsDamped,
2217 schur_factor: None,
2218 schur_factor_is_undamped: true,
2219 beta_schur_conditioning: None,
2220 joint_hessian_log_det: Some(log_det_tt + log_det_schur),
2221 solver_mode: options.mode,
2222 ridge_t,
2223 ridge_beta,
2224 htbeta: ArrowHtbetaCache::from_system(sys)?,
2225 d: sys.d,
2226 row_dims: Arc::clone(&sys.row_dims),
2227 row_offsets: Arc::clone(&sys.row_offsets),
2228 k: sys.k,
2229 manifold_mode_fingerprint: sys.manifold_mode_fingerprint,
2230 row_hessian_fingerprint: sys.current_row_hessian_fingerprint(),
2231 pcg_diagnostics: ArrowPcgDiagnostics::default(),
2232 gauge_deflated_directions: factorization.gauge_deflated_directions,
2233 deflated_row_directions: factorization.deflated_row_directions.into(),
2234 deflation_row_spectra: factorization.deflation_row_spectra.into(),
2235 beta_gauge_quotient: sys.beta_gauge_quotient.clone(),
2236 };
2237 Ok(MatrixFreeArrowEvidenceEvaluation {
2238 log_det_tt,
2239 log_det_schur,
2240 factor_cache,
2241 })
2242}
2243
2244fn matrix_free_arrow_evidence_log_det_surrogate_core(
2245 sys: &ArrowSchurSystem,
2246 ridge_t: f64,
2247 ridge_beta: f64,
2248 options: &ArrowSolveOptions,
2249 slq_num_probes: usize,
2250 slq_lanczos_steps: usize,
2251 slq_seed: u64,
2252 lane: Option<&mut SurrogateLaneState>,
2253) -> Result<(f64, f64, ArrowBlockFactorization), ArrowSchurError> {
2254 let backend = CpuBatchedBlockSolver;
2255 let factorization = factor_blocks_for_system(
2256 sys,
2257 ridge_t,
2258 options.evidence_policy,
2259 &backend,
2260 options.gpu_policy,
2261 )?;
2262 let htt_factors = factorization.factors.clone();
2263 let mut log_det_tt = 0.0_f64;
2264 for row in 0..htt_factors.len() {
2265 let factor = htt_factors.factor(row);
2266 for axis in 0..factor.nrows() {
2267 log_det_tt += 2.0 * factor[[axis, axis]].ln();
2268 }
2269 }
2270 // #1017 Phase-3: one device-resident reduced-Schur `S·v` for the WHOLE
2271 // evaluation — the surrogate value ladder (two-sided deflation: block-power on
2272 // S + inverse subspace iteration on S⁻¹ via matrix-free CG), the λ_max bracket
2273 // power iteration, the SLQ probes, AND the S⁻¹·probe bundle all ride this
2274 // single operator (uploaded / pre-factored once). Sized against the surrogate's
2275 // per-evaluation apply budget (probe count × shifted-CG ladder depth). The
2276 // device operator carries its own residency, so the CPU `SaeResidentReducedSchur`
2277 // frame is only staged on the CPU lane.
2278 let cfg_apply_budget = lane
2279 .as_ref()
2280 .map(|s| s.cfg.num_probes.saturating_mul(s.cfg.cg_max_iters))
2281 .unwrap_or_else(|| slq_num_probes.saturating_mul(slq_lanczos_steps));
2282 let device_matvec =
2283 maybe_build_evidence_gpu_matvec(sys, ridge_t, ridge_beta, options, cfg_apply_budget)?;
2284 let gpu_matvec: Option<&GpuSchurMatvec> =
2285 options.gpu_matvec.as_ref().or(device_matvec.as_ref());
2286 let resident = if gpu_matvec.is_none() {
2287 SaeResidentReducedSchur::build(sys, &htt_factors, &backend)
2288 } else {
2289 None
2290 };
2291
2292 // The rational ladder solves shifted SPD systems, so its operator must
2293 // already carry the SAME exact-A spectral classification that SLQ applies
2294 // inside its quadrature. Build the low-rank Ritz correction once per
2295 // evaluation on the raw reduced operator, then install it on an
2296 // evaluation-local system clone consumed by every power/CG/value/derivative
2297 // apply. Majorizer and plain-SPD lanes retain the original system exactly.
2298 let rational_exact_a = lane.is_some()
2299 && matches!(
2300 options.evidence_policy,
2301 ArrowEvidencePolicy::UnitDeflationRefusingIndefinite { .. }
2302 );
2303 let classified_system = if rational_exact_a {
2304 if sys.exact_a_classification.is_none() {
2305 return Err(ArrowSchurError::SchurFactorFailed {
2306 reason: "rational exact-A evidence policy requires the raw B/delta/clamp \
2307 classification carrier"
2308 .to_string(),
2309 });
2310 }
2311 let raw_op = ReducedSchurOperator::new(
2312 sys,
2313 &htt_factors,
2314 ridge_beta,
2315 &backend,
2316 resident.as_ref(),
2317 )
2318 .with_gpu_matvec(gpu_matvec);
2319 let conditioning = exact_a_ritz_conditioning(
2320 sys.k,
2321 |direction| raw_op.apply(direction),
2322 |direction| {
2323 exact_a_reduced_direction_metrics(sys, &htt_factors, ridge_beta, direction)
2324 .map_err(|error| error.to_string())
2325 },
2326 slq_lanczos_steps,
2327 slq_seed,
2328 )
2329 .map_err(|reason| ArrowSchurError::SchurFactorFailed { reason })?;
2330 let mut classified = sys.clone();
2331 classified.exact_a_reduced_conditioning = Some(conditioning);
2332 Some(classified)
2333 } else {
2334 None
2335 };
2336 let evidence_system = classified_system.as_ref().unwrap_or(sys);
2337
2338 let log_det_schur = match lane {
2339 None => {
2340 let slq = slq_reduced_schur_log_det(
2341 sys,
2342 &htt_factors,
2343 ridge_beta,
2344 &backend,
2345 resident.as_ref(),
2346 gpu_matvec,
2347 options.evidence_policy,
2348 slq_num_probes,
2349 slq_lanczos_steps,
2350 slq_seed,
2351 );
2352 slq?.estimate
2353 }
2354 Some(state) => {
2355 let dim = evidence_system.k;
2356 // (Re)build the frozen plan when absent or dimension-mismatched (a
2357 // basin mutation changed the border); otherwise reuse the frozen Q.
2358 let need_build = state.plan.as_ref().map_or(true, |p| p.dim != dim);
2359 let mut entry_evaluation = None;
2360 if need_build {
2361 let cfg = state.cfg.clone();
2362 let derived = rational_reduced_schur_plan_derived(
2363 evidence_system,
2364 &htt_factors,
2365 ridge_beta,
2366 &backend,
2367 resident.as_ref(),
2368 gpu_matvec,
2369 cfg.num_probes,
2370 cfg.seed,
2371 cfg.rel_tol,
2372 cfg.power_iters,
2373 cfg.cg_rel_tol,
2374 cfg.cg_max_iters,
2375 cfg.deflation_max_rank,
2376 cfg.deflation_subspace_iters,
2377 cfg.deflation_target_std_err_rel,
2378 )
2379 .map_err(|reason| ArrowSchurError::SchurFactorFailed {
2380 reason: format!(
2381 "rational log-det surrogate plan build failed for reduced Schur dim \
2382 {dim}: {reason}"
2383 ),
2384 })?;
2385 state.plan = Some(derived.plan);
2386 entry_evaluation = Some(derived.entry_evaluation);
2387 // The old-dim S⁻¹·probes are meaningless against the new border.
2388 state.warm_inverse_probes = None;
2389 }
2390 let plan = state
2391 .plan
2392 .as_ref()
2393 .expect("plan installed just above when absent");
2394 let want_bundle = state.request_inverse_probes;
2395 let want_logdet_derivative = state.request_logdet_derivative_bundle;
2396 // Value, its lossless shifted derivative representation, and any
2397 // EFS-only `(probes, S⁻¹·probes)` trace bundle are computed under one
2398 // borrow of the frozen plan and stashed after that borrow ends. The
2399 // EFS bundle uses raw probes; the outer gradient consumes only the
2400 // weighted shifted derivative bundle.
2401 let (estimate, derivative_bundle, bundle) = {
2402 // #1017: ONE reduced-Schur operator for the whole value ladder —
2403 // the frozen plan walks its shift ladder through this single
2404 // resident apply instead of re-capturing a `schur_matvec` closure
2405 // per shifted solve. When `gpu_matvec` is `Some` (Phase-3 device
2406 // seam, built once above) every shifted apply runs on device; when
2407 // `None` the byte-identical CPU `schur_matvec` lane is taken.
2408 let op = ReducedSchurOperator::new(
2409 evidence_system,
2410 &htt_factors,
2411 ridge_beta,
2412 &backend,
2413 resident.as_ref(),
2414 )
2415 .with_gpu_matvec(gpu_matvec);
2416 let matvec = |v: ArrayView1<f64>| -> Array1<f64> { op.apply(v) };
2417 // #2576: the EXACT diag(S) is available here and cheap
2418 // (`reduced_schur_shifted_preconditioner_resident`), and it was
2419 // MEASURED not to help — 5189 iterations against this shared
2420 // block's 5138, because the elimination term carries the same
2421 // firing-count structure as `H_ββ` and the two very nearly
2422 // cancel to a uniform rescaling, which CG is invariant to. See
2423 // `exact_schur_diagonal_is_a_near_uniform_rescaling_of_the_shared_block_2576`.
2424 let precond =
2425 reduced_schur_shifted_preconditioner(evidence_system, ridge_beta);
2426 // The derived-plan builder already certified this exact plan on
2427 // this exact entry operator with this exact preconditioner. Keep
2428 // that evaluation as the first value/derivative payload instead
2429 // of immediately walking the whole shifted-PCG ladder a second
2430 // time. Subsequent ρ values evaluate the frozen plan normally.
2431 let eval = match entry_evaluation.take() {
2432 Some(eval) => eval,
2433 None => plan
2434 .evaluate_family_preconditioned(
2435 &matvec,
2436 &precond,
2437 state.cfg.cg_rel_tol,
2438 state.cfg.cg_max_iters,
2439 )
2440 .ok_or_else(|| ArrowSchurError::SchurFactorFailed {
2441 reason: "rational log-det surrogate evaluation returned non-finite"
2442 .to_string(),
2443 })?,
2444 };
2445 let estimate = eval.estimate;
2446 let derivative_bundle = if want_logdet_derivative {
2447 Some(
2448 plan.into_directional_derivative_bundle(eval)
2449 .ok_or_else(|| ArrowSchurError::SchurFactorFailed {
2450 reason: "rational log-det derivative bundle assembly failed"
2451 .to_string(),
2452 })?,
2453 )
2454 } else {
2455 None
2456 };
2457 let bundle = if want_bundle {
2458 let (sinv, cg_report) = reduced_schur_inverse_probe_solves(
2459 evidence_system,
2460 &htt_factors,
2461 ridge_beta,
2462 &backend,
2463 resident.as_ref(),
2464 gpu_matvec,
2465 &plan.probes,
2466 state.warm_inverse_probes.as_deref(),
2467 state.cfg.cg_rel_tol,
2468 state.cfg.cg_max_iters,
2469 )
2470 .ok_or_else(|| ArrowSchurError::SchurFactorFailed {
2471 reason: "rational surrogate inverse-probe bundle solve failed".to_string(),
2472 })?;
2473 if !cg_report.converged() {
2474 log::warn!(
2475 "rational surrogate inverse-probe bundle: weakest reduced-Schur CG \
2476 reached relative residual {:.3e} against tolerance {:.3e} after \
2477 {} of {} iterations (preconditioner {:?}); every trace contracted \
2478 against this bundle inherits that error",
2479 cg_report.relative_residual,
2480 cg_report.tolerance,
2481 cg_report.iterations,
2482 cg_report.max_iterations,
2483 cg_report.preconditioner,
2484 );
2485 }
2486 Some((plan.probes.clone(), sinv))
2487 } else {
2488 None
2489 };
2490 (estimate, derivative_bundle, bundle)
2491 };
2492 if want_logdet_derivative {
2493 state.logdet_derivative_bundle = derivative_bundle;
2494 state.request_logdet_derivative_bundle = false;
2495 }
2496 if want_bundle {
2497 // Keep the fresh solves as the next ρ's warm-start seed (CRN),
2498 // then hand the bundle to the gradient lane.
2499 if let Some((_, sinv)) = &bundle {
2500 state.warm_inverse_probes = Some(sinv.clone());
2501 }
2502 state.inverse_probes = bundle;
2503 state.request_inverse_probes = false;
2504 }
2505 estimate
2506 }
2507 };
2508 Ok((log_det_tt, log_det_schur, factorization))
2509}
2510
2511/// Power-iteration estimate of the largest eigenvalue `λ_max` of the SPD reduced
2512/// Schur `S` through the matrix-free `schur_matvec` apply — the upper end of
2513/// the spectral bracket the #2080 rational log-det surrogate
2514/// ([`RationalLogdetPlan`]) needs to size its bracket-centred DE quadrature.
2515///
2516/// Deterministic: the start vector is a fixed SplitMix64 Rademacher draw from
2517/// `seed`, so a given `(sys, htt_factors, ρ_β, resident, iters, seed)` always
2518/// returns the same estimate — the surrogate bracket must be reproducible for the
2519/// REML outer loop, exactly like the SLQ probes. `iters` power steps refine the
2520/// Rayleigh quotient `vᵀ S v` (each step is one `schur_matvec`); a handful
2521/// suffice because the surrogate only needs a bracket good to a factor, not a
2522/// converged eigenvalue (the quadrature window is padded two decades each side).
2523///
2524/// Returns `None` for a degenerate operator (`k == 0`) or a non-finite /
2525/// non-positive Rayleigh quotient (an SPD operator forbids the latter, so it
2526/// signals a caller bug or a non-finite operator, both of which must surface
2527/// rather than be silently bracketed).
2528pub fn reduced_schur_lambda_max<B: BatchedBlockSolver + Sync>(
2529 sys: &ArrowSchurSystem,
2530 htt_factors: &ArrowFactorSlab,
2531 ridge_beta: f64,
2532 backend: &B,
2533 resident: Option<&SaeResidentReducedSchur>,
2534 gpu_matvec: Option<&GpuSchurMatvec>,
2535 iters: usize,
2536 seed: u64,
2537) -> Option<f64> {
2538 let k = sys.k;
2539 if k == 0 {
2540 return None;
2541 }
2542 // Deterministic Rademacher start (same stream discipline as the surrogate
2543 // probes): a ±1 vector never lands orthogonal to the top eigenspace.
2544 let mut v = Array1::<f64>::zeros(k);
2545 {
2546 let mut state = seed.wrapping_mul(0x9E37_79B9_7F4A_7C15);
2547 let mut bits: u64 = 0;
2548 let mut remaining: u32 = 0;
2549 for value in v.iter_mut() {
2550 if remaining == 0 {
2551 bits = gam_linalg::utils::splitmix64(&mut state);
2552 remaining = 64;
2553 }
2554 *value = if bits & 1 == 1 { 1.0 } else { -1.0 };
2555 bits >>= 1;
2556 remaining -= 1;
2557 }
2558 }
2559 let inv_norm0 = v.dot(&v).sqrt().recip();
2560 if !inv_norm0.is_finite() {
2561 return None;
2562 }
2563 v.mapv_inplace(|x| x * inv_norm0);
2564 // One resident operator reused across every power-iteration apply — device
2565 // seam threaded so the bracket estimate rides the SAME resident `S·v` the
2566 // ladder/probes use.
2567 let op = ReducedSchurOperator::new(sys, htt_factors, ridge_beta, backend, resident)
2568 .with_gpu_matvec(gpu_matvec);
2569 let apply = |x: &Array1<f64>| -> Array1<f64> { op.apply_owned(x) };
2570 for _ in 0..iters.max(1) {
2571 let sv = apply(&v);
2572 let norm = sv.dot(&sv).sqrt();
2573 if !(norm.is_finite() && norm > 0.0) {
2574 break;
2575 }
2576 v = sv / norm;
2577 }
2578 // Rayleigh quotient on the converged iterate (v stays unit).
2579 let sv = apply(&v);
2580 let lambda = v.dot(&sv);
2581 (lambda.is_finite() && lambda > 0.0).then_some(lambda)
2582}
2583
2584/// A measured direction of negative curvature of the reduced Schur complement,
2585/// carried into the FULL arrow coordinates.
2586///
2587/// `curvature` is the Rayleigh quotient `vᵀSv` re-measured with one extra
2588/// `S·v` apply, not the Ritz value the eigensolver reported — the Ritz value
2589/// is an estimate from a Krylov space, and a certificate of indefiniteness must
2590/// be an evaluation of the operator itself. `border` is the unit mode `v` in
2591/// the reduced (border) coordinates and `eliminated` is its exact lift
2592/// `L(v)` through the arrow elimination, so `(eliminated, border)` is a
2593/// displacement of the full system whose curvature is exactly `curvature`.
2594#[derive(Debug, Clone)]
2595pub struct ReducedSchurNegativeCurvature {
2596 /// `vᵀSv < 0`, measured by an apply rather than reported by the eigensolver.
2597 pub curvature: f64,
2598 /// The algebraically smallest Ritz value the shifted solve certified.
2599 pub ritz_eigenvalue: f64,
2600 /// The shift `σ ≥ λ_max` the spectral fold used.
2601 pub shift: f64,
2602 /// The unit mode in reduced/border coordinates.
2603 pub border: Array1<f64>,
2604 /// `L(v)`: the same mode in the eliminated blocks' coordinates.
2605 pub eliminated: Array1<f64>,
2606}
2607
2608/// The reduced Schur's algebraically most-negative eigenpair, matrix-free, and
2609/// the full-space displacement it lifts to — `None` when the operator resolves
2610/// no negative direction.
2611///
2612/// # Why a shift rather than plain Lanczos
2613///
2614/// [`gam_linalg::lanczos::symmetric_extreme_lanczos_eigenpairs`] certifies
2615/// extreme-MAGNITUDE eigenpairs. At a saddle of a penalized fit `λ_max` is the
2616/// data curvature and `λ_min` is a small negative number, so the largest
2617/// magnitude is the wrong end and the mode that matters is invisible to it.
2618/// Running the same solver on `σI − S` fixes that exactly: the spectrum folds
2619/// to `σ − λ_j ≥ 0`, its largest element is `σ − λ_min`, and largest-magnitude
2620/// is now the end we want. The fold is an exact similarity on the eigenvectors
2621/// — it changes which eigenvalue is extreme and nothing else — and `σ` is the
2622/// `λ_max` the surrogate's spectral bracket already estimates
2623/// ([`reduced_schur_lambda_max`]), so no new spectral information is needed.
2624///
2625/// # Why this is a statement about the ITERATE
2626///
2627/// The lift `L` satisfies `[L(v); v]ᵀ H [L(v); v] = vᵀ S v` exactly (see
2628/// `arrow_lift_border_direction`). So a negative `curvature` here is not a
2629/// property of the reduced surrogate that might vanish in the full problem: it
2630/// is negative curvature of the fit's own objective at this point, and a fit
2631/// reporting convergence there has converged to something that is not a local
2632/// minimum.
2633pub fn reduced_schur_negative_curvature<B: BatchedBlockSolver + Sync>(
2634 sys: &ArrowSchurSystem,
2635 htt_factors: &ArrowFactorSlab,
2636 ridge_beta: f64,
2637 backend: &B,
2638 resident: Option<&SaeResidentReducedSchur>,
2639 gpu_matvec: Option<&GpuSchurMatvec>,
2640 lambda_max: f64,
2641 max_steps: usize,
2642 seed: u64,
2643) -> Option<ReducedSchurNegativeCurvature> {
2644 let k = sys.k;
2645 if k == 0 || !(lambda_max.is_finite() && lambda_max > 0.0) {
2646 return None;
2647 }
2648 let op = ReducedSchurOperator::new(sys, htt_factors, ridge_beta, backend, resident)
2649 .with_gpu_matvec(gpu_matvec);
2650 // Deterministic Rademacher start, the same stream discipline the surrogate
2651 // probes and `reduced_schur_lambda_max` use: reproducible across runs and
2652 // never orthogonal to the sought eigenspace by construction.
2653 let mut start = vec![0.0_f64; k];
2654 {
2655 let mut state = seed.wrapping_mul(0x9E37_79B9_7F4A_7C15);
2656 let mut bits: u64 = 0;
2657 let mut remaining: u32 = 0;
2658 for value in start.iter_mut() {
2659 if remaining == 0 {
2660 bits = gam_linalg::utils::splitmix64(&mut state);
2661 remaining = 64;
2662 }
2663 *value = if bits & 1 == 1 { 1.0 } else { -1.0 };
2664 bits >>= 1;
2665 remaining -= 1;
2666 }
2667 }
2668 // `σ` strictly above `λ_max` so the folded operator is positive semidefinite
2669 // even when the power-iteration estimate sits a rounding below the true top.
2670 let shift = lambda_max * (1.0 + 8.0 * f64::EPSILON.sqrt());
2671 let options = gam_linalg::lanczos::SymmetricExtremeLanczosOptions {
2672 target_rank: 1,
2673 max_steps: max_steps.clamp(1, k),
2674 check_every: 4,
2675 relative_residual_tol: f64::EPSILON.sqrt(),
2676 breakdown_tol: 0.0,
2677 };
2678 let mut work = Array1::<f64>::zeros(k);
2679 let pairs = gam_linalg::lanczos::symmetric_extreme_lanczos_eigenpairs(
2680 k,
2681 &start,
2682 options,
2683 |x: &[f64], out: &mut [f64]| {
2684 let xv = Array1::from_iter(x.iter().copied());
2685 op.apply_into(&xv, &mut work);
2686 for (slot, (&xi, &sv)) in out.iter_mut().zip(x.iter().zip(work.iter())) {
2687 *slot = shift * xi - sv;
2688 }
2689 Ok(())
2690 },
2691 )
2692 .ok()?;
2693 // Largest folded eigenvalue ⇒ smallest eigenvalue of `S`.
2694 let (best, &folded) = pairs
2695 .eigenvalues
2696 .iter()
2697 .enumerate()
2698 .max_by(|a, b| a.1.total_cmp(b.1))?;
2699 let ritz_eigenvalue = shift - folded;
2700 let mode = pairs.eigenvectors.column(best).to_owned();
2701 let norm = mode.dot(&mode).sqrt();
2702 if !(norm.is_finite() && norm > 0.0) {
2703 return None;
2704 }
2705 let border = mode / norm;
2706 // The certificate: an APPLY of the operator, not the eigensolver's estimate.
2707 let curvature = border.dot(&op.apply_owned(&border));
2708 if !(curvature.is_finite() && curvature < 0.0) {
2709 return None;
2710 }
2711 let eliminated = arrow_lift_border_direction(sys, htt_factors, border.view(), backend);
2712 if eliminated.iter().any(|value| !value.is_finite()) {
2713 return None;
2714 }
2715 Some(ReducedSchurNegativeCurvature {
2716 curvature,
2717 ritz_eigenvalue,
2718 shift,
2719 border,
2720 eliminated,
2721 })
2722}
2723
2724/// Matrix-free reduced-Schur log-determinant `log|S|` via the #2080 fixed
2725/// rational surrogate ([`RationalLogdetPlan`]) on the exact `schur_matvec`
2726/// apply — the desync-safe companion to `slq_reduced_schur_log_det`. **The
2727/// dense `k×k` `S` is NEVER formed.**
2728///
2729/// Returns the built plan and its evaluation so the caller can (a) read
2730/// `eval.estimate` = the surrogate value `L̃ ≈ log|S|` (with `eval.std_err` the
2731/// honest Hutchinson error bar), and (b) later contract the SAME shifted-solve
2732/// bundle against any per-ρ-coordinate Schur-derivative operator `∂S` via
2733/// `rational_reduced_schur_directional`. Because both the value and that
2734/// derivative are the exact value / gradient of the ONE deterministic function
2735/// `L̃(ρ)` (fixed probes, fixed quadrature), the outer optimiser descends a
2736/// function whose gradient is its own — the objective↔gradient desync class the
2737/// bare SLQ value re-opened (a stochastic value paired with the analytic exact
2738/// gradient) is closed by construction, not by tolerance tuning.
2739///
2740/// The spectral bracket is estimated matrix-free: `λ_max` by power iteration
2741/// ([`reduced_schur_lambda_max`]), `λ_min` from the deflation-floor convention
2742/// `SPECTRAL_DEFLATION_REL_FLOOR·λ_max` (the operative lower bound of the
2743/// unit-deflated spectrum). Deterministic for a fixed
2744/// `(sys, htt_factors, ρ_β, resident, num_probes, seed, rel_tol, power_iters,
2745/// cg_rel_tol, cg_max_iters)`.
2746///
2747/// `None` when `k == 0`, the bracket estimate is degenerate, the plan cannot be
2748/// built, or a shifted CG solve breaks down on a non-finite operator.
2749pub fn rational_reduced_schur_log_det<B: BatchedBlockSolver + Sync>(
2750 sys: &ArrowSchurSystem,
2751 htt_factors: &ArrowFactorSlab,
2752 ridge_beta: f64,
2753 backend: &B,
2754 resident: Option<&SaeResidentReducedSchur>,
2755 gpu_matvec: Option<&GpuSchurMatvec>,
2756 num_probes: usize,
2757 seed: u64,
2758 rel_tol: f64,
2759 power_iters: usize,
2760 cg_rel_tol: f64,
2761 cg_max_iters: usize,
2762) -> Option<(RationalLogdetPlan, RationalLogdetEval)> {
2763 let k = sys.k;
2764 if k == 0 {
2765 return None;
2766 }
2767 let lambda_max = reduced_schur_lambda_max(
2768 sys,
2769 htt_factors,
2770 ridge_beta,
2771 backend,
2772 resident,
2773 gpu_matvec,
2774 power_iters,
2775 seed,
2776 )?;
2777 // λ_min from the deflation floor: after unit-deflation the operative spectrum
2778 // is bounded below by `SPECTRAL_DEFLATION_REL_FLOOR·λ_max` (or 1.0), so this
2779 // is a sound lower bracket for the quadrature window sizing. The window is
2780 // padded two decades below `λ_min` inside `RationalLogdetPlan::build`, so a
2781 // conservative (too-small) floor only widens the resolved range, never biases
2782 // the estimate.
2783 let lambda_min = (SPECTRAL_DEFLATION_REL_FLOOR * lambda_max).max(f64::MIN_POSITIVE);
2784 let plan = RationalLogdetPlan::build(k, num_probes, seed, lambda_min, lambda_max, rel_tol)?;
2785 // One resident operator; the plan's shift ladder reuses it across every
2786 // shifted solve. The probes fan across rayon workers (in `evaluate`), and
2787 // `schur_matvec`'s own row parallelism is guarded off inside a worker, so
2788 // there is no nested oversubscription.
2789 let op = ReducedSchurOperator::new(sys, htt_factors, ridge_beta, backend, resident)
2790 .with_gpu_matvec(gpu_matvec);
2791 let matvec = |v: ArrayView1<f64>| -> Array1<f64> { op.apply(v) };
2792 // #2576: the exact diag(S) is reachable from `resident` and measured NOT to
2793 // reduce iterations — see the refutation note at the surrogate-core call site.
2794 let precond = reduced_schur_shifted_preconditioner(sys, ridge_beta);
2795 let eval = plan.evaluate_family_preconditioned(&matvec, &precond, cg_rel_tol, cg_max_iters)?;
2796 Some((plan, eval))
2797}
2798
2799/// Build the FROZEN #2080 surrogate plan for one outer solve, with the Hutch++
2800/// deflation rank DERIVED from a pilot evaluation — the build-once companion to
2801/// per-ρ [`RationalLogdetPlan::evaluate`]. Returns the plan (probes +
2802/// quadrature + frozen Hutch++ `Q`) together with the certified evaluation that
2803/// selected its rank. The entry evaluation is the first criterion value and
2804/// derivative payload: discarding it and immediately evaluating the same plan,
2805/// operator, and preconditioner would repeat the whole shifted-PCG ladder. Later
2806/// ρ values evaluate the frozen plan normally, so rank derivation remains a
2807/// once-per-outer-solve cost.
2808///
2809/// Derived rank (the #2080 lead ruling): a rank-0 pilot fixes the log-det scale,
2810/// the target bar is `deflation_target_std_err_rel · (|log|S|_pilot| + 1)` — one
2811/// order under the smallest tolerance the criterion feeds (the caller passes
2812/// `0.1 · STALL_REL_TOL`; `log|S|` is the criterion's dominant term at wide `k`
2813/// so `|log|S||+1` is the right objective scale to `O(1)` and the `0.1` margin
2814/// absorbs the loss/Occam remainder). The peel rank grows on a doubling schedule
2815/// until the Hutchinson error bar clears the target. `deflation_max_rank` is a
2816/// resource-admission ceiling, not permission to return an under-certified
2817/// estimate: exhausting it before the bar clears returns `None` and the caller
2818/// surfaces a typed evidence failure. `deflation_max_rank == 0` explicitly
2819/// requests the bare-Hutchinson plan; a pilot already under target also returns
2820/// it. Deterministic for fixed inputs (`Q` and probes are seed-derived). The
2821/// returned plan's `Q` is FROZEN, so
2822/// `RationalLogdetPlan::directional_derivative` on its evaluations is the exact
2823/// surrogate gradient.
2824pub struct DerivedRationalLogdetPlan {
2825 /// Frozen statistical plan selected at the entry operator.
2826 pub plan: RationalLogdetPlan,
2827 /// Certified value and shifted solves already computed while selecting the
2828 /// plan, consumed as the entry value and derivative payload.
2829 pub entry_evaluation: RationalLogdetEval,
2830}
2831
2832pub fn rational_reduced_schur_plan_derived<B: BatchedBlockSolver + Sync>(
2833 sys: &ArrowSchurSystem,
2834 htt_factors: &ArrowFactorSlab,
2835 ridge_beta: f64,
2836 backend: &B,
2837 resident: Option<&SaeResidentReducedSchur>,
2838 gpu_matvec: Option<&GpuSchurMatvec>,
2839 num_probes: usize,
2840 seed: u64,
2841 rel_tol: f64,
2842 power_iters: usize,
2843 cg_rel_tol: f64,
2844 cg_max_iters: usize,
2845 deflation_max_rank: usize,
2846 deflation_subspace_iters: usize,
2847 deflation_target_std_err_rel: f64,
2848) -> Result<DerivedRationalLogdetPlan, String> {
2849 let k = sys.k;
2850 if k == 0
2851 || !(cg_rel_tol.is_finite() && cg_rel_tol > 0.0 && cg_rel_tol < 1.0)
2852 || !(deflation_target_std_err_rel.is_finite() && deflation_target_std_err_rel >= 0.0)
2853 {
2854 return Err(format!(
2855 "inadmissible surrogate request: reduced Schur dim {k}, cg_rel_tol {cg_rel_tol:.3e} \
2856 (needs 0 < tol < 1), deflation target {deflation_target_std_err_rel:.3e} (needs \
2857 finite and non-negative)"
2858 ));
2859 }
2860 let lambda_max = reduced_schur_lambda_max(
2861 sys,
2862 htt_factors,
2863 ridge_beta,
2864 backend,
2865 resident,
2866 gpu_matvec,
2867 power_iters,
2868 seed,
2869 )
2870 .ok_or_else(|| {
2871 format!(
2872 "spectral bracket unavailable: the power iteration produced no finite λ_max for \
2873 reduced Schur dim {k} in {power_iters} iterations"
2874 )
2875 })?;
2876 let lambda_min = (SPECTRAL_DEFLATION_REL_FLOOR * lambda_max).max(f64::MIN_POSITIVE);
2877 let base_plan = RationalLogdetPlan::build(
2878 k, num_probes, seed, lambda_min, lambda_max, rel_tol,
2879 )
2880 .ok_or_else(|| {
2881 format!(
2882 "quadrature plan unbuildable on bracket [{lambda_min:.6e}, {lambda_max:.6e}] at \
2883 rel_tol {rel_tol:.3e} with {num_probes} probes (reduced Schur dim {k})"
2884 )
2885 })?;
2886 // One resident operator across the pilot, every deflation re-solve, and the
2887 // subspace-iteration `with_two_sided_deflation` applies — the whole rank-derivation
2888 // ladder (the two-sided deflation: block-power on S + inverse subspace
2889 // iteration on S⁻¹) reuses the same staged residency / device `S·v`.
2890 let op = ReducedSchurOperator::new(sys, htt_factors, ridge_beta, backend, resident)
2891 .with_gpu_matvec(gpu_matvec);
2892 let matvec = |v: ArrayView1<f64>| -> Array1<f64> { op.apply(v) };
2893 // The SAME shared-block diagonal every evaluation of this plan will use, so
2894 // the rank-derivation ladder is not measuring a differently-conditioned
2895 // iteration from the one production runs. (#2576: the exact diag(S) was
2896 // measured here and does not help — see the surrogate-core call site.)
2897 let precond = reduced_schur_shifted_preconditioner(sys, ridge_beta);
2898 // Rank-0 pilot: fixes the |log|S|| scale and is the answer outright when no
2899 // deflation is requested or the bare bar already clears the target.
2900 // `log|S|` exists only for a positive-definite `S`, and every shifted solve
2901 // below is a conjugate-gradient recurrence that assumes it. Nothing checked
2902 // that assumption: the bracket's LOWER end is not measured, it is set to a
2903 // fixed fraction of the estimated `lambda_max`, so an operator whose
2904 // spectrum reaches below zero was planned for as if it did not, and the
2905 // first thing to notice was a CG breakdown tens of iterations in, reported
2906 // as "no finite solution". Measured on gam#2731: `pᵀ(A+σI)p = -1.50e10` at
2907 // seed shift `4.2e-15`, on a fit that had already converged.
2908 //
2909 // A quadratic form is a ONE-SIDED certificate: `vᵀ(S + t_lo·I)v <= 0` proves
2910 // the operator is indefinite on this bracket, while a positive value over
2911 // finitely many probes proves nothing. So this refuses when it fires and is
2912 // silent otherwise — the breakdown path still catches what it misses, and
2913 // now names itself. The probes are the plan's own, so this costs one extra
2914 // operator application each and introduces no new randomness.
2915 let seed_shift = base_plan
2916 .nodes
2917 .iter()
2918 .map(|(t, _)| *t)
2919 .filter(|t| t.is_finite())
2920 .fold(f64::INFINITY, f64::min);
2921 if seed_shift.is_finite() {
2922 for (index, probe) in base_plan.probes.iter().enumerate() {
2923 let norm_sq = probe.dot(probe);
2924 if !(norm_sq > 0.0) {
2925 continue;
2926 }
2927 let mut shifted = matvec(probe.view());
2928 shifted.scaled_add(seed_shift, probe);
2929 let form = probe.dot(&shifted);
2930 if !(form.is_finite() && form > 0.0) {
2931 // #2731 — a probe proves indefiniteness but names no direction,
2932 // and a direction is the only thing an escape can use. The
2933 // spectrum's own most-negative mode is a shifted Lanczos away
2934 // (the shift is the `λ_max` this plan already estimated), and
2935 // the arrow elimination lifts it into a full-space
2936 // displacement, so the refusal reports what descends rather
2937 // than only that something does.
2938 let escape = reduced_schur_negative_curvature(
2939 sys,
2940 htt_factors,
2941 ridge_beta,
2942 backend,
2943 resident,
2944 gpu_matvec,
2945 lambda_max,
2946 power_iters,
2947 seed,
2948 )
2949 .map(|found| {
2950 format!(
2951 " The spectrum's most-negative direction is vᵀSv = {:.6e} (Ritz {:.6e} under the fold σ = {:.6e}); the arrow elimination lifts it to a full-space displacement of {} eliminated coordinates, whose curvature is that same number by the Schur identity — so the descent direction is available, not merely implied.",
2952 found.curvature,
2953 found.ritz_eigenvalue,
2954 found.shift,
2955 found.eliminated.len(),
2956 )
2957 })
2958 .unwrap_or_else(|| {
2959 " The shifted Lanczos did not certify a negative eigenpair within its step budget, so the probe above is the whole of the evidence."
2960 .to_string()
2961 });
2962 return Err(format!(
2963 "the reduced Schur is not positive definite on this bracket, so log|S| is \
2964 not defined at this iterate: probe {index} gives \
2965 vᵀ(S + {seed_shift:.6e}·I)v = {form:.6e} with ‖v‖² = {norm_sq:.6e} \
2966 (reduced Schur dim {k}, bracket [{lambda_min:.6e}, {lambda_max:.6e}] whose \
2967 lower end is SPECTRAL_DEFLATION_REL_FLOOR × λ_max, not a measured \
2968 eigenvalue). A converged fit reaching here has converged to a point with \
2969 negative curvature in the reduced Schur, which is a statement about the \
2970 iterate, not about the surrogate.{escape}"
2971 ));
2972 }
2973 }
2974 }
2975 let pilot = base_plan
2976 .evaluate_family_preconditioned(&matvec, &precond, cg_rel_tol, cg_max_iters)
2977 .ok_or_else(|| {
2978 format!(
2979 "rank-0 pilot solve broke down: the shifted-CG family did not return a finite \
2980 solution on the bracket [{lambda_min:.6e}, {lambda_max:.6e}] at cg_rel_tol \
2981 {cg_rel_tol:.3e}, cg_max_iters {cg_max_iters} (reduced Schur dim {k}). The \
2982 seed system's own budget is min(cg_max_iters, dim) = {} iterations. The \
2983 one-sided definiteness probe above did not fire, so this is either an \
2984 indefiniteness those probes missed or a genuine loss of accuracy; the \
2985 `[rational-logdet] shifted-CG seed breakdown` line says which.",
2986 cg_max_iters.min(k.max(1))
2987 )
2988 })?;
2989 if deflation_max_rank == 0 {
2990 return Ok(DerivedRationalLogdetPlan {
2991 plan: base_plan,
2992 entry_evaluation: pilot,
2993 });
2994 }
2995 let target = deflation_target_std_err_rel * (pilot.estimate.abs() + 1.0);
2996 if pilot.std_err <= target {
2997 return Ok(DerivedRationalLogdetPlan {
2998 plan: base_plan,
2999 entry_evaluation: pilot,
3000 });
3001 }
3002 let pilot_std_err = pilot.std_err;
3003 // Grow from the smallest nonzero peel rank (doubling ⇒ log-many re-solves)
3004 // until the bar clears. The caller's cap is a resource ceiling; reaching it
3005 // with an over-target bar refuses the surrogate rather than silently
3006 // weakening the requested statistical-accuracy contract.
3007 let cap = deflation_max_rank.min(k);
3008 let mut rank = 1usize;
3009 // Basis iteration only steers Q for variance reduction. Derive its looser
3010 // true-residual tolerance from the evaluation solve's tolerance instead of
3011 // carrying an unrelated fixed knob: √tol is strictly looser while still
3012 // converging as the bottom-tail builder now requires.
3013 let basis_cg_rel_tol = cg_rel_tol.sqrt();
3014 loop {
3015 let r = rank.min(cap);
3016 // Split the peel budget across BOTH spectral tails at equal total rank:
3017 // the Hutchinson bar rides on ‖offdiag(P log(S/c) P)‖_F, whose mass sits
3018 // symmetrically on the λ_max AND λ_min tails (|log(λ/c)| peaks equally at
3019 // both ends of the bracket since c is its geometric midpoint), so top-only
3020 // deflation stalls at ~½ the removable variance
3021 // (`two_sided_deflation_drops_wide_kappa_std_err_below_two_percent`).
3022 // The bottom-tail basis comes from inverse iteration — CG on the UNSHIFTED
3023 // operator at full κ — so it gets its own LOOSE budget, not the
3024 // evaluation-grade `cg_rel_tol`: an approximate bottom `Q` only relaxes
3025 // the variance reduction, never biases the value (the split is exact for
3026 // any orthonormal `Q`), while an evaluation-grade solve there would burn
3027 // √κ-scale iterations per basis column for no accuracy in return.
3028 let plan = base_plan.clone().with_two_sided_deflation_preconditioned(
3029 &matvec,
3030 &precond,
3031 r.div_ceil(2),
3032 r / 2,
3033 deflation_subspace_iters,
3034 seed,
3035 (basis_cg_rel_tol, cg_max_iters),
3036 )
3037 .ok_or_else(|| {
3038 format!(
3039 "two-sided deflation basis unbuildable at rank {r} (top {}, bottom {}) after \
3040 {deflation_subspace_iters} subspace iterations on reduced Schur dim {k}",
3041 r.div_ceil(2),
3042 r / 2
3043 )
3044 })?;
3045 let eval = plan
3046 .evaluate_family_preconditioned(&matvec, &precond, cg_rel_tol, cg_max_iters)
3047 .ok_or_else(|| {
3048 format!(
3049 "deflated solve broke down at rank {r}: the shifted-CG family did not return \
3050 a finite solution at cg_rel_tol {cg_rel_tol:.3e} (reduced Schur dim {k})"
3051 )
3052 })?;
3053 if eval.std_err <= target {
3054 return Ok(DerivedRationalLogdetPlan {
3055 plan,
3056 entry_evaluation: eval,
3057 });
3058 }
3059 if r >= cap {
3060 // The resource ceiling, reached with an over-target bar. This is a
3061 // deliberate refusal rather than a silent weakening of the accuracy
3062 // contract — but a refusal that names only its dimension cannot be
3063 // acted on, and this one aborts a fit that has already converged.
3064 // Every number the caller needs to decide whether to raise the cap,
3065 // relax the target, or take the estimate as it stands is here.
3066 return Err(format!(
3067 "deflation reached its rank ceiling {cap} (requested {deflation_max_rank}, \
3068 reduced Schur dim {k}) with the Hutchinson bar still over target: std_err \
3069 {:.6e} against target {target:.6e} (= {deflation_target_std_err_rel:.3e} × \
3070 (|estimate| + 1)), estimate {:.6e}; the rank-0 pilot's bar was \
3071 {pilot_std_err:.6e}, so deflation removed {:.1}% of the pilot variance and \
3072 needed {:.1}%",
3073 eval.std_err,
3074 eval.estimate,
3075 100.0 * (1.0 - eval.std_err / pilot_std_err.max(f64::MIN_POSITIVE)),
3076 100.0 * (1.0 - target / pilot_std_err.max(f64::MIN_POSITIVE)),
3077 ));
3078 }
3079 rank = rank.saturating_mul(2);
3080 }
3081}
3082
3083/// One tier of the evidence lane's preconditioner study: what the SAME frozen
3084/// surrogate cost, and produced, under one preconditioner.
3085#[derive(Debug, Clone, Copy, PartialEq)]
3086pub struct ReducedSchurLogdetPrecondRow {
3087 pub preconditioner: ReducedSchurCgPreconditioner,
3088 /// The surrogate value `L̃ ≈ log|S|`.
3089 pub log_det: f64,
3090 /// The surrogate's own Hutchinson error bar on that value.
3091 pub std_err: f64,
3092 /// Total shifted-CG iterations across the whole probe × node ladder.
3093 pub cg_iterations: usize,
3094}
3095
3096/// Evidence-lane preconditioner study: evaluate ONE frozen rational
3097/// log-determinant plan on one reduced Schur, once per preconditioner tier, and
3098/// report what each cost.
3099///
3100/// This is the evidence-side companion to
3101/// `arrow_precond_ladder_iteration_study`, which does the same for the Newton
3102/// PCG ladder. It exists because the two questions are different: the Newton
3103/// ladder asks which preconditioner solves a STEP fastest, while this asks what
3104/// the log-determinant's shifted-solve ladder costs — and before #2576 that
3105/// second question had no answer at all, because nothing measured it and the
3106/// solves were unpreconditioned.
3107///
3108/// Both tiers evaluate the SAME plan (same probes, same quadrature nodes, same
3109/// deflation basis) against the SAME operator, so their `log_det` values must
3110/// agree to solve accuracy: the preconditioner steers the iteration and cannot
3111/// move the functional. That agreement is the study's built-in self-check —
3112/// a tier that changed the value would be a bug in the preconditioner, not a
3113/// measurement.
3114///
3115/// `None` when the spectral bracket or the plan cannot be built, or a shifted
3116/// solve breaks down.
3117pub fn reduced_schur_logdet_preconditioner_study<B: BatchedBlockSolver + Sync>(
3118 sys: &ArrowSchurSystem,
3119 htt_factors: &ArrowFactorSlab,
3120 ridge_beta: f64,
3121 backend: &B,
3122 num_probes: usize,
3123 seed: u64,
3124 rel_tol: f64,
3125 power_iters: usize,
3126 cg_rel_tol: f64,
3127 cg_max_iters: usize,
3128) -> Option<Vec<ReducedSchurLogdetPrecondRow>> {
3129 if sys.k == 0 {
3130 return None;
3131 }
3132 let lambda_max = reduced_schur_lambda_max(
3133 sys,
3134 htt_factors,
3135 ridge_beta,
3136 backend,
3137 None,
3138 None,
3139 power_iters,
3140 seed,
3141 )?;
3142 let lambda_min = (SPECTRAL_DEFLATION_REL_FLOOR * lambda_max).max(f64::MIN_POSITIVE);
3143 let plan =
3144 RationalLogdetPlan::build(sys.k, num_probes, seed, lambda_min, lambda_max, rel_tol)?;
3145 let op = ReducedSchurOperator::new(sys, htt_factors, ridge_beta, backend, None);
3146 let matvec = |v: ArrayView1<f64>| -> Array1<f64> { op.apply(v) };
3147 let shared_block = reduced_schur_shifted_preconditioner(sys, ridge_beta);
3148 let mut tiers = vec![
3149 (
3150 ReducedSchurCgPreconditioner::Identity,
3151 ShiftedDiagonalPreconditioner::identity(),
3152 ),
3153 (
3154 ReducedSchurCgPreconditioner::SharedBlockDiagonal,
3155 shared_block,
3156 ),
3157 ];
3158 // The operator is the SAME across tiers (built above with no residency); the
3159 // residency here serves only the exact-diagonal tier's preconditioner build,
3160 // so the study still compares every tier against ONE iteration.
3161 //
3162 // Emitted only when a residency exists. Without one
3163 // `reduced_schur_shifted_preconditioner_resident` returns the shared-block
3164 // diagonal itself, and a tier that is a verbatim duplicate of the row above
3165 // it would report a second measurement of the same thing under a name that
3166 // claims otherwise.
3167 if let Some(resident) = SaeResidentReducedSchur::build(sys, htt_factors, backend) {
3168 tiers.push((
3169 ReducedSchurCgPreconditioner::SchurDiagonal,
3170 reduced_schur_shifted_preconditioner_resident(sys, ridge_beta, Some(&resident)),
3171 ));
3172 }
3173 let mut out = Vec::with_capacity(tiers.len());
3174 for (kind, preconditioner) in tiers {
3175 let eval = plan.evaluate_preconditioned(&matvec, &preconditioner, cg_rel_tol, cg_max_iters)?;
3176 out.push(ReducedSchurLogdetPrecondRow {
3177 preconditioner: kind,
3178 log_det: eval.estimate,
3179 std_err: eval.std_err,
3180 cg_iterations: eval.cg_iterations,
3181 });
3182 }
3183 Some(out)
3184}
3185
3186/// What one quadrature node of the shifted-solve ladder cost, and what the
3187/// operator looked like there.
3188#[derive(Debug, Clone)]
3189pub struct ShiftLadderNodeProfile {
3190 /// Position of this node in the ladder's DESCENDING walk (0 = largest shift,
3191 /// solved first and cold; the rest are warm-started from their predecessor).
3192 pub ladder_position: usize,
3193 /// The shift `t_ℓ`.
3194 pub shift: f64,
3195 /// The quadrature weight `w_ℓ`.
3196 pub weight: f64,
3197 /// Iterations summed over every right-hand side solved at this node.
3198 pub iterations: usize,
3199 /// Largest single-solve iteration count at this node.
3200 pub max_solve_iterations: usize,
3201 /// Ritz condition estimate `θ_max/θ_min` of the PRECONDITIONED shifted
3202 /// operator, read off the CG coefficients of this node's longest solve. `None`
3203 /// when that solve converged before resolving two Ritz values.
3204 pub krylov_condition: Option<f64>,
3205}
3206
3207/// The complete work profile of one rational log-determinant evaluation, node by
3208/// node, plus the residual history of its single most expensive solve.
3209///
3210/// This is the #2576 discriminator. The issue's headline evidence — "loosening
3211/// the CG tolerance from 1e-8 to 1e-4 changes nothing" — is equally consistent
3212/// with a solve stagnating at its iteration cap and a solve converging so fast
3213/// that four decades of tolerance cost a handful of iterations, and those need
3214/// opposite repairs. The two are told apart by the residual CURVE (geometric
3215/// decay versus a flat line) and by the Ritz spectrum the same solve hands over
3216/// for free. Neither existed before: the evaluation reported one summed
3217/// iteration count and nothing else.
3218#[derive(Debug, Clone)]
3219pub struct ShiftLadderProfile {
3220 /// One row per quadrature node, in ladder (descending-shift) order.
3221 pub nodes: Vec<ShiftLadderNodeProfile>,
3222 /// The surrogate value this evaluation produced.
3223 pub log_det: f64,
3224 /// Its Hutchinson error bar.
3225 pub std_err: f64,
3226 /// Iterations over the whole ladder — the quantity the existing
3227 /// [`reduced_schur_logdet_preconditioner_study`] reports as a single number.
3228 pub total_iterations: usize,
3229 /// Full residual and coefficient history of the ladder's most expensive
3230 /// single solve. This one is WARM-STARTED from the node above it, so its
3231 /// curve begins wherever the previous shift's solution left it.
3232 pub hardest_solve: ShiftedPcgTrace,
3233 /// One COLD solve at the ladder's smallest shift, from a zero start, on the
3234 /// first probe.
3235 ///
3236 /// This is the honest price of the family: the smallest shift is the
3237 /// worst-conditioned member, and a Krylov space built from the right-hand
3238 /// side alone — no warm start — is what any evaluator that serves all shifts
3239 /// from ONE space must pay. It is also the trace whose residual curve is
3240 /// interpretable, since it starts at `‖r‖/‖b‖ = 1` rather than wherever the
3241 /// previous node's solution happened to land.
3242 pub cold_seed_solve: ShiftedPcgTrace,
3243 /// The same cold seed solve with NO diagonal, i.e. on the raw operator.
3244 ///
3245 /// A shifted family shares its Krylov space only when nothing shift-dependent
3246 /// is applied to it, and this module's diagonal is `1/(d + t)` — shift
3247 /// dependent by construction. So the two cold traces price the two ways to
3248 /// serve the family from one space: rescale the operator by its diagonal ONCE
3249 /// (and carry `Σ ln d_g` in the value), or keep the operator and pay the raw
3250 /// conditioning. Which is cheaper is a measurement, not an argument.
3251 pub cold_seed_solve_undiagonalized: ShiftedPcgTrace,
3252 /// `|vᵀSw − wᵀSv| / (‖Sv‖·‖w‖)` on a deterministic probe pair. CG is only
3253 /// valid on a symmetric operator, so a non-negligible value here means no
3254 /// preconditioner can help and the algorithm itself is wrong for the problem.
3255 pub symmetry_defect: f64,
3256 /// The `[λ_min, λ_max]` bracket the plan was sized from. `λ_min` is the
3257 /// deflation-floor convention `SPECTRAL_DEFLATION_REL_FLOOR·λ_max`, i.e. an
3258 /// ASSUMED lower bound, not a measurement — comparing it against
3259 /// `hardest_solve`'s smallest Ritz value is how one sees whether the
3260 /// quadrature window is sized for a spectrum the operator does not have.
3261 pub bracket: (f64, f64),
3262}
3263
3264impl ShiftLadderProfile {
3265 /// Iterations of the single hardest solve, against the whole ladder's total.
3266 ///
3267 /// A shifted family `(S + t_ℓ I)` spans ONE Krylov space for every `t_ℓ`, so
3268 /// a multi-shift Krylov evaluator would pay the hardest solve and get the
3269 /// rest as vector updates. This ratio is exactly what such a change could
3270 /// win, and it is a measurement rather than an argument.
3271 #[must_use]
3272 pub fn ladder_concentration(&self) -> f64 {
3273 let hardest = self.hardest_solve.iterations().max(1) as f64;
3274 self.total_iterations as f64 / hardest
3275 }
3276
3277 /// The applies ONE right-hand side may cost, given the operator's own
3278 /// conditioning and the plan's own node count:
3279 ///
3280 /// ```text
3281 /// ½·√κ·ln(2/rel_tol) + node_count
3282 /// ```
3283 ///
3284 /// — the textbook CG bound for a single solve at the conditioning `κ` the
3285 /// cold seed measured, plus one certification apply per node. Nothing here is
3286 /// chosen: `κ` is read off the seed's Ritz values and the node count is the
3287 /// plan's, so a better-conditioned operator or a coarser quadrature moves the
3288 /// budget on its own.
3289 ///
3290 /// `κ` is the UNDIAGONALIZED seed's, because that is the space a family
3291 /// evaluator can actually share: the diagonal here is `1/(diag(S) + t)` and
3292 /// anything shift-dependent destroys the shift invariance the one-space
3293 /// argument rests on. The diagonal remains available to the single-shift
3294 /// repair path, where one fixed `t` makes it a preconditioner again.
3295 ///
3296 /// `None` when the cold seed resolved no spectrum.
3297 #[must_use]
3298 pub fn one_krylov_space_apply_budget(&self) -> Option<f64> {
3299 Some(
3300 self.cold_seed_solve_undiagonalized
3301 .conditioning_iteration_bound()?
3302 + self.nodes.len() as f64,
3303 )
3304 }
3305}
3306
3307/// Profile one evaluation of the evidence lane's frozen rational
3308/// log-determinant plan: what every quadrature node cost, and what the operator
3309/// looked like at the node that cost the most.
3310///
3311/// Builds the plan, operator and preconditioner exactly as
3312/// [`rational_reduced_schur_log_det`] does — same bracket, same probes, same
3313/// nodes, same shared-block diagonal — and then evaluates it through a recording
3314/// shifted solver. `RationalLogdetPlan::evaluate_with_shifted_solver` is the seam
3315/// that makes this possible without a second copy of the ladder: the statistical
3316/// functional is untouched and only the numerical inverse is instrumented, so
3317/// the `log_det` this reports is the one production computes.
3318///
3319/// `None` on the same conditions as [`rational_reduced_schur_log_det`].
3320pub fn reduced_schur_logdet_shift_ladder_profile<B: BatchedBlockSolver + Sync>(
3321 sys: &ArrowSchurSystem,
3322 htt_factors: &ArrowFactorSlab,
3323 ridge_beta: f64,
3324 backend: &B,
3325 resident: Option<&SaeResidentReducedSchur>,
3326 num_probes: usize,
3327 seed: u64,
3328 rel_tol: f64,
3329 power_iters: usize,
3330 cg_rel_tol: f64,
3331 cg_max_iters: usize,
3332) -> Option<ShiftLadderProfile> {
3333 let k = sys.k;
3334 if k == 0 {
3335 return None;
3336 }
3337 let lambda_max = reduced_schur_lambda_max(
3338 sys,
3339 htt_factors,
3340 ridge_beta,
3341 backend,
3342 resident,
3343 None,
3344 power_iters,
3345 seed,
3346 )?;
3347 let lambda_min = (SPECTRAL_DEFLATION_REL_FLOOR * lambda_max).max(f64::MIN_POSITIVE);
3348 let plan = RationalLogdetPlan::build(k, num_probes, seed, lambda_min, lambda_max, rel_tol)?;
3349 let op = ReducedSchurOperator::new(sys, htt_factors, ridge_beta, backend, resident);
3350 let matvec = |v: ArrayView1<f64>| -> Array1<f64> { op.apply(v) };
3351 let precond = reduced_schur_shifted_preconditioner(sys, ridge_beta);
3352
3353 // (b) in the #2576 fault taxonomy: CG on a non-symmetric operator cannot be
3354 // rescued by any preconditioner. Two deterministic probes, no RNG plumbing:
3355 // an alternating-sign vector and a linear ramp are not related by any
3356 // symmetry of an arrow system, so `vᵀSw = wᵀSv` here is a real test.
3357 let mut v = Array1::<f64>::zeros(k);
3358 let mut w = Array1::<f64>::zeros(k);
3359 for index in 0..k {
3360 v[index] = if index % 2 == 0 { 1.0 } else { -1.0 };
3361 w[index] = (index as f64 + 1.0) / (k as f64);
3362 }
3363 let sv = matvec(v.view());
3364 let sw = matvec(w.view());
3365 let scale = (sv.dot(&sv).sqrt() * w.dot(&w).sqrt()).max(f64::MIN_POSITIVE);
3366 let symmetry_defect = (w.dot(&sv) - v.dot(&sw)).abs() / scale;
3367
3368 // `(ladder_position, shift, iterations-per-solve, trace of the longest solve)`
3369 // accumulated by the recording solver. The ladder walks nodes in descending
3370 // shift order and every solve at one node happens before the next node's, so
3371 // the recorded order IS the ladder position order.
3372 type LadderRecord = (f64, Vec<usize>, ShiftedPcgTrace);
3373 let recorded: std::sync::Mutex<Vec<LadderRecord>> = std::sync::Mutex::new(Vec::new());
3374 let solve = |shift: f64, rhs: &Array1<f64>, warm: &Array1<f64>| {
3375 let (outcome, trace) =
3376 shifted_pcg_traced(&matvec, &precond, shift, rhs, warm, cg_rel_tol, cg_max_iters);
3377 let iterations = trace.iterations();
3378 let mut log = recorded.lock().ok()?;
3379 match log.last_mut() {
3380 Some(entry) if entry.0 == shift => {
3381 entry.1.push(iterations);
3382 if iterations > entry.2.iterations() {
3383 entry.2 = trace;
3384 }
3385 }
3386 _ => log.push((shift, vec![iterations], trace)),
3387 }
3388 drop(log);
3389 outcome
3390 };
3391 let eval = plan.evaluate_with_shifted_solver(&solve)?;
3392 let log = recorded.into_inner().ok()?;
3393
3394 // The cold seed: the ladder's SMALLEST shift, first probe, zero start. Every
3395 // solve above was warm-started from the node before it, so none of them
3396 // prices what a single Krylov space costs from scratch — which is exactly
3397 // the quantity a one-space evaluator would pay, and the only trace whose
3398 // residual curve starts at 1 and is therefore readable as a convergence
3399 // history.
3400 let seed_shift = plan
3401 .nodes
3402 .iter()
3403 .map(|(t, _)| *t)
3404 .fold(f64::INFINITY, f64::min);
3405 let cold_start = Array1::<f64>::zeros(k);
3406 let (_, cold_seed_solve) = shifted_pcg_traced(
3407 &matvec,
3408 &precond,
3409 seed_shift,
3410 plan.probes.first()?,
3411 &cold_start,
3412 cg_rel_tol,
3413 cg_max_iters,
3414 );
3415 let (_, cold_seed_solve_undiagonalized) = shifted_pcg_traced(
3416 &matvec,
3417 &ShiftedDiagonalPreconditioner::identity(),
3418 seed_shift,
3419 plan.probes.first()?,
3420 &cold_start,
3421 cg_rel_tol,
3422 cg_max_iters,
3423 );
3424
3425 let weight_of = |shift: f64| -> f64 {
3426 plan.nodes
3427 .iter()
3428 .find(|(t, _)| *t == shift)
3429 .map(|(_, w)| *w)
3430 .unwrap_or(f64::NAN)
3431 };
3432 let mut hardest = ShiftedPcgTrace::default();
3433 let mut nodes = Vec::with_capacity(log.len());
3434 let mut total_iterations = 0usize;
3435 for (ladder_position, (shift, per_solve, trace)) in log.into_iter().enumerate() {
3436 let iterations: usize = per_solve.iter().sum();
3437 total_iterations += iterations;
3438 if trace.iterations() > hardest.iterations() {
3439 hardest = trace.clone();
3440 }
3441 nodes.push(ShiftLadderNodeProfile {
3442 ladder_position,
3443 shift,
3444 weight: weight_of(shift),
3445 iterations,
3446 max_solve_iterations: per_solve.iter().copied().max().unwrap_or(0),
3447 krylov_condition: trace.krylov_condition_estimate(),
3448 });
3449 }
3450 Some(ShiftLadderProfile {
3451 nodes,
3452 log_det: eval.estimate,
3453 std_err: eval.std_err,
3454 total_iterations,
3455 hardest_solve: hardest,
3456 cold_seed_solve,
3457 cold_seed_solve_undiagonalized,
3458 symmetry_defect,
3459 bracket: (lambda_min, lambda_max),
3460 })
3461}
3462
3463/// Convergence certificate for one matrix-free reduced-Schur CG solve.
3464///
3465/// The evidence lane's `S⁻¹`-apply used to return its iterate with no way to
3466/// tell a converged solve from one truncated at `max_iters`: a stagnating CG
3467/// handed back an arbitrarily-wrong `S⁻¹b`, and every downstream trace /
3468/// log-determinant estimate inherited that error SILENTLY (#2576 — a 4096-cap
3469/// truncation invisible behind six minutes of no log output). The solve now
3470/// carries what it achieved so consumers can refuse, escalate, or report
3471/// instead of re-deriving it from nothing.
3472#[derive(Debug, Clone, Copy, PartialEq)]
3473pub struct ReducedSchurCgReport {
3474 /// CG iterations actually taken.
3475 pub iterations: usize,
3476 /// Iteration cap the solve ran under.
3477 pub max_iterations: usize,
3478 /// `‖b − S y‖ / ‖b‖` at the returned iterate.
3479 pub relative_residual: f64,
3480 /// Relative-residual target the solve was asked for.
3481 pub tolerance: f64,
3482 /// Which preconditioner steered the iteration.
3483 pub preconditioner: ReducedSchurCgPreconditioner,
3484}
3485
3486impl ReducedSchurCgReport {
3487 /// True iff the returned iterate met the requested relative-residual bound.
3488 /// A `false` here means the iterate is a TRUNCATION, not a solve.
3489 pub fn converged(&self) -> bool {
3490 self.relative_residual <= self.tolerance
3491 }
3492
3493 /// Merge two certificates into the weaker of the pair, so a bundle of
3494 /// solves reports its LEAST converged member rather than its best.
3495 pub fn weaker(self, other: Self) -> Self {
3496 let self_slack = self.relative_residual / self.tolerance.max(f64::MIN_POSITIVE);
3497 let other_slack = other.relative_residual / other.tolerance.max(f64::MIN_POSITIVE);
3498 if other_slack > self_slack { other } else { self }
3499 }
3500}
3501
3502/// Which preconditioner a reduced-Schur CG solve ran with.
3503#[derive(Debug, Clone, Copy, PartialEq, Eq)]
3504pub enum ReducedSchurCgPreconditioner {
3505 /// No usable diagonal was available; the iteration ran on the raw operator.
3506 Identity,
3507 /// `diag(H_ββ + ridge)` — the shared block's own diagonal, read straight
3508 /// off the assembled system at zero build cost.
3509 SharedBlockDiagonal,
3510 /// The EXACT reduced-Schur diagonal
3511 /// `diag(H_ββ) + ridge − Σ_i diag(H_βt^(i)(H_tt^(i))⁻¹H_tβ^(i))`, built from
3512 /// the SAE resident factors. See `resident_schur_elimination_diagonal` for
3513 /// why this is affordable here when the generic column probe is not
3514 /// (#2576).
3515 SchurDiagonal,
3516}
3517
3518/// Diagonal preconditioner for the matrix-free reduced-Schur CG.
3519///
3520/// `S = (H_ββ + ρ_β I) − Σ_i H_βt^(i)(H_tt^(i))⁻¹H_tβ^(i)` is SPD, and its
3521/// diagonal spans whatever range the shared block's diagonal spans. On the
3522/// overcomplete SAE border that range is the atom FIRING-COUNT distribution:
3523/// `H_ββ`'s per-atom diagonal accumulates `Σ_{i ∋ k} φ_i,b²` over the rows on
3524/// atom `k`'s support, so a dictionary whose atoms fire in 3 rows and 3,000
3525/// rows carries three orders of magnitude of diagonal spread. Unpreconditioned
3526/// CG's convergence rate is governed by `√κ(S)`, so that spread alone stalls
3527/// it — which is exactly the #2576 stagnation (16 probes × 3 groups × the full
3528/// 4096-iteration cap, tolerance-insensitive because the tolerance was never
3529/// the binding constraint).
3530///
3531/// Against a GENERIC cross-block operator the exact reduced-Schur diagonal needs
3532/// the point-elimination quotient `Σ_i (H_tβ^(i)e_a)ᵀ(H_tt^(i))⁻¹(H_tβ^(i)e_a)`
3533/// per column — the `O(n·K)` probe build the Newton-side scalar Jacobi pays,
3534/// which at the massive-K border costs orders of magnitude more than the solve
3535/// it would precondition. The SHARED-BLOCK diagonal is already assembled
3536/// (`hbb_diag` / `penalty_op`), so it is free, and it carries the whole
3537/// firing-count spread. It is an upper bound on the true diagonal (the
3538/// eliminated term is PSD), hence strictly positive whenever the assembled
3539/// diagonal is, and it needs no factorization.
3540///
3541/// On the SAE support lane that generic argument does NOT bind —
3542/// [`resident_schur_elimination_diagonal`] takes the exact diagonal for less
3543/// than the cost of one matvec. **It was measured and it does not help**: 5189
3544/// shifted-CG iterations against this shared block's 5138, all tiers agreeing on
3545/// `log|S|` to 10 significant figures. The reason is structural, not a tuning
3546/// accident — `diag(H_ββ)` and the eliminated term are sums over the SAME rows
3547/// with the SAME `φ²` weights, so the firing-count spread appears in both and
3548/// cancels, leaving a near-uniform rescaling that CG is invariant to. This
3549/// shared block is therefore the RIGHT preconditioner, not a cheap stand-in for
3550/// one. See
3551/// `exact_schur_diagonal_is_a_near_uniform_rescaling_of_the_shared_block_2576`,
3552/// which guards the cancellation and will fail if it ever stops holding.
3553///
3554/// This is a preconditioner, not a change of operator: PCG converges to the
3555/// same `S⁻¹b` as CG, only faster, so every downstream criterion value is
3556/// unchanged up to the residual tolerance both must meet.
3557struct ReducedSchurDiagonalPreconditioner {
3558 inverse_diagonal: Option<Array1<f64>>,
3559}
3560
3561/// The shared-block diagonal `diag(H_ββ) + ρ_β` of the reduced Schur, as the
3562/// preconditioner the SHIFTED rational-surrogate solves take.
3563///
3564/// Same diagonal, same justification as
3565/// [`ReducedSchurDiagonalPreconditioner`] — but the surrogate solves
3566/// `(S + t_ℓ I)` rather than `S`, and `diag(S + t I) = diag(S) + t`, so one
3567/// diagonal serves the entire shift ladder with the shift added per solve.
3568/// This is where the log-determinant lane's iterations actually go: `m` probes
3569/// times the quadrature's node count, every one an unshifted-to-tiny-shift CG
3570/// on the same wide-diagonal border (#2576).
3571///
3572/// Device seam: this costs no transfers even when the `S·v` apply is running on
3573/// a GPU. The shifted CG already materializes its residual host-side (the
3574/// matvec seam hands back an owned `Array1`), so the preconditioner is one
3575/// elementwise `O(k)` pass over a vector that was already there. It is also
3576/// reduction-free, hence bit-identical run to run regardless of thread count —
3577/// the property the criterion's reproducibility contract needs.
3578pub(crate) fn reduced_schur_shifted_preconditioner(
3579 sys: &ArrowSchurSystem,
3580 ridge_beta: f64,
3581) -> ShiftedDiagonalPreconditioner {
3582 match ReducedSchurDiagonalPreconditioner::shared_block_diagonal(sys, ridge_beta) {
3583 Some(diagonal) => ShiftedDiagonalPreconditioner::from_operator_diagonal(&diagonal),
3584 None => ShiftedDiagonalPreconditioner::identity(),
3585 }
3586}
3587
3588/// The EXACT diagonal of the eliminated term
3589/// `Σ_i H_βt^(i)(H_tt^(i)+ρ_t I)⁻¹H_tβ^(i)`, read off the staged SAE residency.
3590///
3591/// # Why this is affordable when the generic column probe is not (#2576)
3592///
3593/// The generic route materializes `H_tβ^(i)` column by column against `K` basis
3594/// vectors, which is what makes an exact diagonal cost `O(n·K)` and is why
3595/// [`ReducedSchurDiagonalPreconditioner`] settles for the shared block alone.
3596/// The SAE cross-block is not generic. It factors as `H_tβ^(i) = L_i P_i` with
3597/// `P_i` the support projector `(P_i)[c, base_s + c] = φ_s` and `L_i` the row's
3598/// `di × p` local Jacobian — exactly the decomposition
3599/// [`SaeResidentReducedSchur::row_into`] already applies, `S_i = P_iᵀ L_iᵀ Y_i P_i`
3600/// with `Y_i = (H_tt^(i)+ρ_t I)⁻¹L_i` ALREADY STAGED. So
3601///
3602/// ```text
3603/// diag(S_i)[base_s + c] = φ_s² · G_i[c, c], G_i[c, c] = Σ_r L_i[r, c]·Y_i[r, c]
3604/// ```
3605///
3606/// — a column dot of two resident slabs plus a sparse scatter. The cost is
3607/// `di·p + support_i·p` per row against the matvec's `2·support_i·p + 2·di·p`:
3608/// this build is CHEAPER THAN A SINGLE MATVEC, and it is amortized over the
3609/// whole shift ladder (the quadrature's node count times every probe, each of
3610/// which runs to thousands of iterations). No factorization is added — `Y_i` is
3611/// the solve the residency already paid for.
3612///
3613/// The result is the exact diagonal, not an approximation or a bound.
3614///
3615/// Determinism: rows are accumulated in increasing index order, serially. This
3616/// is the fixed-order accumulation the #1211 exact-no-move contract wants, and
3617/// at one-matvec cost per plan build there is nothing to gain from fanning it
3618/// out.
3619///
3620/// `None` when the residency does not describe this system (degenerate `p`,
3621/// slab length mismatch, or a support base that would run off the border), in
3622/// which case the caller keeps the shared-block diagonal it already had.
3623pub(crate) fn resident_schur_elimination_diagonal(
3624 resident: &SaeResidentReducedSchur,
3625 k: usize,
3626) -> Option<Array1<f64>> {
3627 let p = resident.p;
3628 if p == 0 || k == 0 || resident.rows.len() != resident.a_phi.len() {
3629 return None;
3630 }
3631 let mut elimination = Array1::<f64>::zeros(k);
3632 let out = elimination.as_slice_mut()?;
3633 let mut g_diag = vec![0.0_f64; p];
3634 // Per-row `(base, Σφ)` with equal bases COMBINED BEFORE squaring: the
3635 // projector's coefficient on column `base + c` is the sum of every support
3636 // entry carrying that base, and it is that sum which gets squared. Summing
3637 // `φ²` instead would price a different projector than the matvec applies.
3638 let mut combined: Vec<(usize, f64)> = Vec::new();
3639 for (row, factor) in resident.rows.iter().enumerate() {
3640 let di = factor.di;
3641 let support = &resident.a_phi[row];
3642 if di == 0 || support.is_empty() {
3643 continue;
3644 }
3645 let l_i = &resident.local_jac[row];
3646 if l_i.len() != di * p || factor.y.len() != di * p {
3647 return None;
3648 }
3649 // G_i[c, c] = Σ_r L_i[r, c] · Y_i[r, c] (the diagonal of L_iᵀ Y_i,
3650 // never the dense p×p product).
3651 for value in g_diag.iter_mut() {
3652 *value = 0.0;
3653 }
3654 for r in 0..di {
3655 let l_row = &l_i[r * p..r * p + p];
3656 let y_row = &factor.y[r * p..r * p + p];
3657 for ((value, &l), &y) in g_diag.iter_mut().zip(l_row).zip(y_row) {
3658 *value += l * y;
3659 }
3660 }
3661 combined.clear();
3662 for &(base, phi) in support.iter() {
3663 if phi == 0.0 {
3664 continue;
3665 }
3666 if base + p > k {
3667 return None;
3668 }
3669 match combined.iter_mut().find(|(seen, _)| *seen == base) {
3670 Some(entry) => entry.1 += phi,
3671 None => combined.push((base, phi)),
3672 }
3673 }
3674 for &(base, phi) in combined.iter() {
3675 let scale = phi * phi;
3676 for (value, &g) in out[base..base + p].iter_mut().zip(g_diag.iter()) {
3677 *value += scale * g;
3678 }
3679 }
3680 }
3681 Some(elimination)
3682}
3683
3684/// The shifted-ladder preconditioner built from the EXACT reduced-Schur diagonal
3685/// when an SAE residency is in hand, falling back to
3686/// [`reduced_schur_shifted_preconditioner`]'s shared-block diagonal otherwise.
3687///
3688/// **Not on any production path, deliberately.** #2576's standing thesis was
3689/// that preconditioning a reduced Schur with only its penalty block discards the
3690/// structure that makes it a Schur complement. That thesis is measurably wrong
3691/// on this lane: this exact diagonal costs 5189 shifted-CG iterations against
3692/// the shared block's 5138 (identity: 29236), because the two differ by very
3693/// nearly a uniform rescaling. It is retained as the instrument that establishes
3694/// that — the third tier of
3695/// [`reduced_schur_logdet_preconditioner_study`] — so the refutation can be
3696/// re-measured rather than re-argued.
3697///
3698/// Safeguard, per entry: `S` is SPD so its true diagonal is positive, but the
3699/// subtraction is a cancellation and a column whose curvature is almost entirely
3700/// eliminated can round to zero or below. Such an entry keeps the shared-block
3701/// value it would have had before this function existed. That is never worse
3702/// than the status quo — a preconditioner needs only to be SPD, and a per-entry
3703/// fallback keeps the whole diagonal rather than discarding it over one column.
3704pub(crate) fn reduced_schur_shifted_preconditioner_resident(
3705 sys: &ArrowSchurSystem,
3706 ridge_beta: f64,
3707 resident: Option<&SaeResidentReducedSchur>,
3708) -> ShiftedDiagonalPreconditioner {
3709 let Some(mut diagonal) =
3710 ReducedSchurDiagonalPreconditioner::shared_block_diagonal(sys, ridge_beta)
3711 else {
3712 return ShiftedDiagonalPreconditioner::identity();
3713 };
3714 let elimination = resident.and_then(|resident| {
3715 resident_schur_elimination_diagonal(resident, sys.k)
3716 .filter(|elimination| elimination.len() == diagonal.len())
3717 });
3718 if let Some(elimination) = elimination {
3719 for (value, &eliminated) in diagonal.iter_mut().zip(elimination.iter()) {
3720 let exact = *value - eliminated;
3721 if exact.is_finite() && exact > 0.0 {
3722 *value = exact;
3723 }
3724 }
3725 }
3726 ShiftedDiagonalPreconditioner::from_operator_diagonal(&diagonal)
3727}
3728
3729impl ReducedSchurDiagonalPreconditioner {
3730 /// `diag(H_ββ) + ρ_β`, or `None` when the assembled system carries no
3731 /// strictly positive finite diagonal to scale by.
3732 fn shared_block_diagonal(sys: &ArrowSchurSystem, ridge_beta: f64) -> Option<Array1<f64>> {
3733 if sys.k == 0 {
3734 return None;
3735 }
3736 let mut diag = sys.shared_block_diagonal();
3737 for value in diag.iter_mut() {
3738 *value += ridge_beta;
3739 if !(value.is_finite() && *value > 0.0) {
3740 return None;
3741 }
3742 }
3743 Some(diag)
3744 }
3745
3746 /// A shared block that assembled no diagonal (or a non-positive /
3747 /// non-finite entry, which the eliminated PSD term can only make worse) has
3748 /// nothing to scale by: fall back to the identity rather than fabricating a
3749 /// scale. `S` is still SPD, so plain CG remains correct — just slower,
3750 /// exactly as before this preconditioner existed.
3751 fn build(sys: &ArrowSchurSystem, ridge_beta: f64) -> Self {
3752 Self {
3753 inverse_diagonal: Self::shared_block_diagonal(sys, ridge_beta)
3754 .map(|diagonal| diagonal.mapv(|value| 1.0 / value)),
3755 }
3756 }
3757
3758 fn kind(&self) -> ReducedSchurCgPreconditioner {
3759 match self.inverse_diagonal {
3760 Some(_) => ReducedSchurCgPreconditioner::SharedBlockDiagonal,
3761 None => ReducedSchurCgPreconditioner::Identity,
3762 }
3763 }
3764
3765 fn apply(&self, residual: &Array1<f64>) -> Array1<f64> {
3766 match &self.inverse_diagonal {
3767 Some(inverse) => residual * inverse,
3768 None => residual.clone(),
3769 }
3770 }
3771}
3772
3773/// Preconditioned CG solve `S y = b` on the SPD reduced Schur through the
3774/// matrix-free [`schur_matvec`] apply (the `t = 0`, unshifted companion to the
3775/// surrogate's shifted solves), warm-started from `y0`. Yields `y = S⁻¹ b` —
3776/// the operator every `tr(S⁻¹·M)` gradient / adjoint channel contracts against
3777/// at massive K — together with the [`ReducedSchurCgReport`] certifying what
3778/// residual it actually reached.
3779///
3780/// `None` on a non-finite breakdown (SPD `S` ⇒ that signals a caller bug or a
3781/// non-finite operator, both of which must surface rather than be swallowed).
3782/// Running out of iterations is NOT a breakdown: the iterate is returned with
3783/// `converged() == false` so the caller decides.
3784fn reduced_schur_cg_solve<B: BatchedBlockSolver + Sync>(
3785 sys: &ArrowSchurSystem,
3786 htt_factors: &ArrowFactorSlab,
3787 ridge_beta: f64,
3788 backend: &B,
3789 resident: Option<&SaeResidentReducedSchur>,
3790 gpu_matvec: Option<&GpuSchurMatvec>,
3791 b: &Array1<f64>,
3792 y0: &Array1<f64>,
3793 cg_rel_tol: f64,
3794 cg_max_iters: usize,
3795) -> Option<(Array1<f64>, ReducedSchurCgReport)> {
3796 // One resident operator reused across every CG apply of this solve — device
3797 // seam threaded so the inverse-subspace S⁻¹·probe solves ride the resident op.
3798 let op = ReducedSchurOperator::new(sys, htt_factors, ridge_beta, backend, resident)
3799 .with_gpu_matvec(gpu_matvec);
3800 let apply = |v: &Array1<f64>| -> Array1<f64> { op.apply_owned(v) };
3801 let precond = ReducedSchurDiagonalPreconditioner::build(sys, ridge_beta);
3802 let quotient = sys.beta_gauge_quotient.as_ref();
3803 // The preconditioned direction must stay in the quotient complement, or the
3804 // iteration re-injects the pinned gauge orbit the projected operator has no
3805 // curvature along. Project inside the preconditioner apply, not after it.
3806 let precondition = |residual: &Array1<f64>| -> Array1<f64> {
3807 let z = precond.apply(residual);
3808 match quotient {
3809 Some(quotient) => quotient.project_complement(z.view()),
3810 None => z,
3811 }
3812 };
3813 let b = match quotient {
3814 Some(quotient) => quotient.project_complement(b.view()),
3815 None => b.clone(),
3816 };
3817 let mut y = match quotient {
3818 Some(quotient) => quotient.project_complement(y0.view()),
3819 None => y0.clone(),
3820 };
3821 let mut r = &b - &apply(&y);
3822 let b_norm = b.dot(&b).sqrt().max(f64::MIN_POSITIVE);
3823 // One matvec buffer reused across every CG iteration. `apply_owned` builds a
3824 // fresh `Array1::zeros(k)` per call, which at this scale is an ~11 MB
3825 // mmap/munmap pair with first-touch faults and a TLB shootdown EVERY
3826 // iteration -- and this solve runs to its iteration cap on the LAML path.
3827 // Reuse is the contract `schur_matvec` already documents and enforces: it
3828 // accumulates, so it clears `out` itself, which also makes the `zeros()`
3829 // inside `apply_owned` a second redundant zeroing of a buffer about to be
3830 // discarded.
3831 let mut ap = Array1::<f64>::zeros(b.len());
3832 let mut z = precondition(&r);
3833 let mut p = z.clone();
3834 let mut rs = r.dot(&z);
3835 let mut residual_norm_sq = r.dot(&r);
3836 if !(rs.is_finite() && residual_norm_sq.is_finite()) {
3837 return None;
3838 }
3839 let tol = cg_rel_tol * b_norm;
3840 let mut iters = 0usize;
3841 while residual_norm_sq.sqrt() > tol && iters < cg_max_iters {
3842 op.apply_into(&p, &mut ap);
3843 let denom = p.dot(&ap);
3844 if !(denom.is_finite() && denom > 0.0) {
3845 return None;
3846 }
3847 // `rs = rᵀM⁻¹r` is zero only when `r` is, and a zero residual exits
3848 // through the loop condition above (`tol > 0` always). Reaching here
3849 // with `rs == 0` therefore means round-off has destroyed the
3850 // SPD-by-construction preconditioned inner product, and the direction
3851 // update below would be a division by zero rather than a descent step.
3852 if rs == 0.0 {
3853 return None;
3854 }
3855 let alpha = rs / denom;
3856 y.scaled_add(alpha, &p);
3857 r.scaled_add(-alpha, &ap);
3858 residual_norm_sq = r.dot(&r);
3859 z = precondition(&r);
3860 let rs_new = r.dot(&z);
3861 if !(rs_new.is_finite() && residual_norm_sq.is_finite()) {
3862 return None;
3863 }
3864 // In place: `&z + &(&p * c)` allocates two more full-length temporaries
3865 // per iteration for the same arithmetic.
3866 p *= rs_new / rs;
3867 p += &z;
3868 rs = rs_new;
3869 iters += 1;
3870 }
3871 let report = ReducedSchurCgReport {
3872 iterations: iters,
3873 max_iterations: cg_max_iters,
3874 relative_residual: residual_norm_sq.sqrt() / b_norm,
3875 tolerance: cg_rel_tol,
3876 preconditioner: precond.kind(),
3877 };
3878 let solved = match quotient {
3879 Some(quotient) => quotient.project_complement(y.view()),
3880 None => y,
3881 };
3882 Some((solved, report))
3883}
3884
3885/// Matrix-free single-rhs reduced-Schur solve `S⁻¹ rhs` (`t = 0`) via CG on
3886/// `schur_matvec`, warm-started from `warm` (or cold). The base primitive for
3887/// the selected-inverse gradient channels whose `S⁻¹` argument is NOT the fixed
3888/// probe family but a per-call probe-derived vector (e.g. `(H⁻¹)_tt`'s
3889/// `H_βt(H_tt)⁻¹z` term in the ARD latent-block diagonal, and the per-row
3890/// `(H⁻¹)_tβ` blocks the θ-adjoint / assignment-strength traces contract) — those
3891/// cannot reuse the `(probes, S⁻¹·probes)` bundle, so they solve `S⁻¹` on demand
3892/// through this. `None` on a CG breakdown (SPD `S` forbids it, so it signals a
3893/// non-finite operator or caller bug).
3894pub fn reduced_schur_inverse_apply<B: BatchedBlockSolver + Sync>(
3895 sys: &ArrowSchurSystem,
3896 htt_factors: &ArrowFactorSlab,
3897 ridge_beta: f64,
3898 backend: &B,
3899 resident: Option<&SaeResidentReducedSchur>,
3900 gpu_matvec: Option<&GpuSchurMatvec>,
3901 rhs: &Array1<f64>,
3902 warm: Option<&Array1<f64>>,
3903 cg_rel_tol: f64,
3904 cg_max_iters: usize,
3905) -> Option<(Array1<f64>, ReducedSchurCgReport)> {
3906 let zero = Array1::<f64>::zeros(sys.k);
3907 let y0 = warm.unwrap_or(&zero);
3908 reduced_schur_cg_solve(
3909 sys,
3910 htt_factors,
3911 ridge_beta,
3912 backend,
3913 resident,
3914 gpu_matvec,
3915 rhs,
3916 y0,
3917 cg_rel_tol,
3918 cg_max_iters,
3919 )
3920}
3921
3922fn matrix_free_cache_factor_slab(cache: &ArrowFactorCache) -> &ArrowFactorSlab {
3923 match &cache.htt_factors_undamped {
3924 ArrowUndampedFactors::SameAsDamped => &cache.htt_factors,
3925 ArrowUndampedFactors::Owned(factors) => factors,
3926 }
3927}
3928
3929fn validate_matrix_free_arrow_pair(
3930 sys: &ArrowSchurSystem,
3931 cache: &ArrowFactorCache,
3932 operation: &str,
3933) -> Result<(), ArrowSchurError> {
3934 if cache.ridge_t != 0.0 || cache.ridge_beta != 0.0 || !cache.schur_factor_is_undamped {
3935 return Err(ArrowSchurError::SchurFactorFailed {
3936 reason: format!(
3937 "{operation} requires an undamped evidence cache; got ridge_t={}, \
3938 ridge_beta={}, schur_factor_is_undamped={}",
3939 cache.ridge_t, cache.ridge_beta, cache.schur_factor_is_undamped
3940 ),
3941 });
3942 }
3943 if sys.k != cache.k
3944 || sys.rows.len() != cache.n_rows()
3945 || sys.row_dims.as_ref() != cache.row_dims.as_ref()
3946 || sys.row_offsets.as_ref() != cache.row_offsets.as_ref()
3947 {
3948 return Err(ArrowSchurError::SchurFactorFailed {
3949 reason: format!(
3950 "{operation} system/cache layout mismatch: system (rows={}, k={}, offsets={:?}) \
3951 vs cache (rows={}, k={}, offsets={:?})",
3952 sys.rows.len(),
3953 sys.k,
3954 sys.row_offsets,
3955 cache.n_rows(),
3956 cache.k,
3957 cache.row_offsets,
3958 ),
3959 });
3960 }
3961 if sys.row_hessian_fingerprint != cache.row_hessian_fingerprint
3962 || sys.manifold_mode_fingerprint != cache.manifold_mode_fingerprint
3963 {
3964 return Err(ArrowSchurError::SchurFactorFailed {
3965 reason: format!(
3966 "{operation} refuses a stale matrix-free system/cache pair \
3967 (row fingerprint {} vs {}, manifold fingerprint {} vs {})",
3968 sys.row_hessian_fingerprint,
3969 cache.row_hessian_fingerprint,
3970 sys.manifold_mode_fingerprint,
3971 cache.manifold_mode_fingerprint,
3972 ),
3973 });
3974 }
3975 if !sys.cross_row_penalties.is_empty() {
3976 return Err(ArrowSchurError::SchurFactorFailed {
3977 reason: format!(
3978 "{operation} supports the row-block bordered arrow only; cross-row latent \
3979 curvature requires its own matrix-free inverse carrier"
3980 ),
3981 });
3982 }
3983 if !cache.htbeta_available() && cache.k > 0 {
3984 return Err(ArrowSchurError::SchurFactorFailed {
3985 reason: format!("{operation} requires the cached H_tbeta operator"),
3986 });
3987 }
3988 Ok(())
3989}
3990
3991fn cholesky_factor_operator_apply(
3992 factor: ArrayView2<'_, f64>,
3993 vector: ArrayView1<'_, f64>,
3994) -> Array1<f64> {
3995 let n = factor.nrows();
3996 let mut transposed = Array1::<f64>::zeros(n);
3997 for col in 0..n {
3998 let mut value = 0.0_f64;
3999 for row in col..n {
4000 value += factor[[row, col]] * vector[row];
4001 }
4002 transposed[col] = value;
4003 }
4004 let mut out = Array1::<f64>::zeros(n);
4005 for row in 0..n {
4006 let mut value = 0.0_f64;
4007 for col in 0..=row {
4008 value += factor[[row, col]] * transposed[col];
4009 }
4010 out[row] = value;
4011 }
4012 out
4013}
4014
4015/// Apply the undamped full bordered-arrow evidence operator without forming its
4016/// dense reduced Schur complement.
4017///
4018/// The cache supplies the authoritative conditioned row factors and `H_tbeta`
4019/// operator. The system supplies the matrix-free shared block. Rather than read
4020/// raw `H_betabeta` directly, this reconstructs it from
4021/// `S + H_betat A^-1 H_tbeta`, where `S` is applied through the same quotient-
4022/// aware reduced operator used by the matrix-free log-determinant. Value,
4023/// selected-inverse traces, and this IFT operator therefore describe one `B`.
4024pub fn matrix_free_arrow_operator_apply(
4025 sys: &ArrowSchurSystem,
4026 cache: &ArrowFactorCache,
4027 vector_t: ArrayView1<'_, f64>,
4028 vector_beta: ArrayView1<'_, f64>,
4029) -> Result<(Array1<f64>, Array1<f64>), ArrowSchurError> {
4030 validate_matrix_free_arrow_pair(sys, cache, "matrix_free_arrow_operator_apply")?;
4031 if vector_t.len() != cache.delta_t_len() || vector_beta.len() != cache.k {
4032 return Err(ArrowSchurError::SchurFactorFailed {
4033 reason: format!(
4034 "matrix_free_arrow_operator_apply vector shapes (t={}, beta={}) != ({}, {})",
4035 vector_t.len(),
4036 vector_beta.len(),
4037 cache.delta_t_len(),
4038 cache.k,
4039 ),
4040 });
4041 }
4042
4043 let factors = matrix_free_cache_factor_slab(cache);
4044 let backend = CpuBatchedBlockSolver;
4045 let reduced = ReducedSchurOperator::new(sys, factors, 0.0, &backend, None);
4046 let mut out_beta = reduced.apply(vector_beta);
4047 let mut out_t = Array1::<f64>::zeros(cache.delta_t_len());
4048 for row in 0..cache.n_rows() {
4049 let dim = cache.row_dims[row];
4050 let start = cache.row_offsets[row];
4051 let row_vector = vector_t.slice(ndarray::s![start..start + dim]);
4052 let factor = cache.undamped_factor(row);
4053 let row_applied = cholesky_factor_operator_apply(factor, row_vector);
4054 for axis in 0..dim {
4055 out_t[start + axis] = row_applied[axis];
4056 }
4057
4058 if cache.k == 0 {
4059 continue;
4060 }
4061 let mut cross = Array1::<f64>::zeros(dim);
4062 if !cache.apply_htbeta_row(row, vector_beta, &mut cross) {
4063 return Err(ArrowSchurError::SchurFactorFailed {
4064 reason: format!("matrix_free_arrow_operator_apply H_tbeta row {row} apply failed"),
4065 });
4066 }
4067 for axis in 0..dim {
4068 out_t[start + axis] += cross[axis];
4069 }
4070 if !cache.apply_htbeta_row_transpose(row, row_vector, &mut out_beta, None) {
4071 return Err(ArrowSchurError::SchurFactorFailed {
4072 reason: format!("matrix_free_arrow_operator_apply H_betat row {row} apply failed"),
4073 });
4074 }
4075
4076 // `out_beta` already contains `S * vector_beta`; add the eliminated
4077 // `H_betat A^-1 H_tbeta * vector_beta` term to recover H_betabeta.
4078 let solved_cross = cholesky_solve_vector(factor, cross.view());
4079 if !cache.apply_htbeta_row_transpose(row, solved_cross.view(), &mut out_beta, None) {
4080 return Err(ArrowSchurError::SchurFactorFailed {
4081 reason: format!(
4082 "matrix_free_arrow_operator_apply Schur reconstruction row {row} failed"
4083 ),
4084 });
4085 }
4086 }
4087 Ok((out_t, out_beta))
4088}
4089
4090/// Solve the undamped full bordered-arrow evidence system for an arbitrary RHS
4091/// using the matrix-free reduced-Schur CG primitive and exact row backsolves.
4092///
4093/// This is the matrix-free sibling of `ArrowFactorCache::full_inverse_apply`.
4094/// It never materializes `S` or `S^-1`; the beta solve uses the same
4095/// quotient-aware `S` operator as the rational log-determinant, then the latent
4096/// block is recovered by standard arrow back-substitution.
4097///
4098/// The returned [`ReducedSchurCgReport`] certifies the inner CG's achieved
4099/// relative residual. It is NOT decoration: the border solve is iterative and
4100/// may truncate, so an `H⁻¹b` whose report says `converged() == false` is an
4101/// approximation of unbounded error, and any consumer forming a criterion,
4102/// trace, or gradient from it must say so rather than pass it on silently
4103/// (#2576).
4104pub fn matrix_free_arrow_inverse_apply(
4105 sys: &ArrowSchurSystem,
4106 cache: &ArrowFactorCache,
4107 rhs_t: ArrayView1<'_, f64>,
4108 rhs_beta: ArrayView1<'_, f64>,
4109 cg_rel_tol: f64,
4110 cg_max_iters: usize,
4111) -> Result<(Array1<f64>, Array1<f64>, ReducedSchurCgReport), ArrowSchurError> {
4112 validate_matrix_free_arrow_pair(sys, cache, "matrix_free_arrow_inverse_apply")?;
4113 if rhs_t.len() != cache.delta_t_len() || rhs_beta.len() != cache.k {
4114 return Err(ArrowSchurError::SchurFactorFailed {
4115 reason: format!(
4116 "matrix_free_arrow_inverse_apply rhs shapes (t={}, beta={}) != ({}, {})",
4117 rhs_t.len(),
4118 rhs_beta.len(),
4119 cache.delta_t_len(),
4120 cache.k,
4121 ),
4122 });
4123 }
4124 if !(cg_rel_tol.is_finite() && cg_rel_tol > 0.0) || cg_max_iters == 0 {
4125 return Err(ArrowSchurError::PcgFailed {
4126 reason: format!(
4127 "matrix_free_arrow_inverse_apply requires positive finite CG tolerance and \
4128 iteration count; got rel_tol={cg_rel_tol}, max_iters={cg_max_iters}"
4129 ),
4130 });
4131 }
4132
4133 let factors = matrix_free_cache_factor_slab(cache);
4134 let backend = CpuBatchedBlockSolver;
4135 let mut latent_forward = Array1::<f64>::zeros(cache.delta_t_len());
4136 let mut eliminated = Array1::<f64>::zeros(cache.k);
4137 for row in 0..cache.n_rows() {
4138 let dim = cache.row_dims[row];
4139 let start = cache.row_offsets[row];
4140 let solved = cholesky_solve_vector(
4141 cache.undamped_factor(row),
4142 rhs_t.slice(ndarray::s![start..start + dim]),
4143 );
4144 for axis in 0..dim {
4145 latent_forward[start + axis] = solved[axis];
4146 }
4147 if cache.k > 0
4148 && !cache.apply_htbeta_row_transpose(row, solved.view(), &mut eliminated, None)
4149 {
4150 return Err(ArrowSchurError::SchurFactorFailed {
4151 reason: format!("matrix_free_arrow_inverse_apply H_betat row {row} apply failed"),
4152 });
4153 }
4154 }
4155 // The transpose helper accumulates the eliminated term positively.
4156 let mut reduced_rhs = rhs_beta.to_owned();
4157 reduced_rhs -= &eliminated;
4158
4159 let (solved_beta, report) = if cache.k == 0 {
4160 (
4161 Array1::<f64>::zeros(0),
4162 ReducedSchurCgReport {
4163 iterations: 0,
4164 max_iterations: cg_max_iters,
4165 relative_residual: 0.0,
4166 tolerance: cg_rel_tol,
4167 preconditioner: ReducedSchurCgPreconditioner::Identity,
4168 },
4169 )
4170 } else {
4171 reduced_schur_inverse_apply(
4172 sys,
4173 factors,
4174 0.0,
4175 &backend,
4176 None,
4177 None,
4178 &reduced_rhs,
4179 None,
4180 cg_rel_tol,
4181 cg_max_iters,
4182 )
4183 .ok_or_else(|| ArrowSchurError::PcgFailed {
4184 reason: format!(
4185 "matrix_free_arrow_inverse_apply reduced-Schur solve failed \
4186 (dim={}, rel_tol={cg_rel_tol}, max_iters={cg_max_iters})",
4187 cache.k
4188 ),
4189 })?
4190 };
4191
4192 let mut solved_t = latent_forward;
4193 for row in 0..cache.n_rows() {
4194 let dim = cache.row_dims[row];
4195 let start = cache.row_offsets[row];
4196 if cache.k == 0 {
4197 continue;
4198 }
4199 let mut cross = Array1::<f64>::zeros(dim);
4200 if !cache.apply_htbeta_row(row, solved_beta.view(), &mut cross) {
4201 return Err(ArrowSchurError::SchurFactorFailed {
4202 reason: format!("matrix_free_arrow_inverse_apply H_tbeta row {row} apply failed"),
4203 });
4204 }
4205 let correction = cholesky_solve_vector(cache.undamped_factor(row), cross.view());
4206 for axis in 0..dim {
4207 solved_t[start + axis] -= correction[axis];
4208 }
4209 }
4210 Ok((solved_t, solved_beta, report))
4211}
4212
4213/// The `S⁻¹ v_j` bundle for a fixed probe set: solves `S y_j = v_j` (`t = 0`) on
4214/// the matrix-free reduced Schur for each probe `v_j`, warm-started per-probe
4215/// from `warm` when supplied (e.g. the surrogate's smallest-shift solves, which
4216/// already sit close to `S⁻¹ v_j`). Computed ONCE per outer solve and reused
4217/// across every `tr(S⁻¹·M)` channel, so the whole massive-K ρ-gradient +
4218/// θ-adjoint rides on one probe family — one functional, desync closed.
4219///
4220/// `probes` are the surrogate plan's Rademacher probes (`RationalLogdetPlan::
4221/// probes`); pass the SAME set the value used so the trace estimates are
4222/// consistent with it. `None` on any CG breakdown.
4223///
4224/// The returned [`ReducedSchurCgReport`] is the bundle's WEAKEST member — a
4225/// bundle is only as certified as its least-converged solve, and every trace
4226/// estimated from it averages over all of them.
4227pub fn reduced_schur_inverse_probe_solves<B: BatchedBlockSolver + Sync>(
4228 sys: &ArrowSchurSystem,
4229 htt_factors: &ArrowFactorSlab,
4230 ridge_beta: f64,
4231 backend: &B,
4232 resident: Option<&SaeResidentReducedSchur>,
4233 gpu_matvec: Option<&GpuSchurMatvec>,
4234 probes: &[Array1<f64>],
4235 warm: Option<&[Array1<f64>]>,
4236 cg_rel_tol: f64,
4237 cg_max_iters: usize,
4238) -> Option<(Vec<Array1<f64>>, ReducedSchurCgReport)> {
4239 let k = sys.k;
4240 let zero = Array1::<f64>::zeros(k);
4241 let mut out = Vec::with_capacity(probes.len());
4242 let mut weakest: Option<ReducedSchurCgReport> = None;
4243 for (j, v) in probes.iter().enumerate() {
4244 let y0 = warm.and_then(|w| w.get(j)).unwrap_or(&zero);
4245 let (y, report) = reduced_schur_cg_solve(
4246 sys,
4247 htt_factors,
4248 ridge_beta,
4249 backend,
4250 resident,
4251 gpu_matvec,
4252 v,
4253 y0,
4254 cg_rel_tol,
4255 cg_max_iters,
4256 )?;
4257 weakest = Some(match weakest {
4258 Some(previous) => previous.weaker(report),
4259 None => report,
4260 });
4261 out.push(y);
4262 }
4263 weakest.map(|report| (out, report))
4264}
4265
4266/// Hutchinson estimate `tr(S⁻¹ M) ≈ (1/m) Σ_j (S⁻¹ v_j)ᵀ (M v_j)` for the reduced
4267/// Schur `S` and a SYMMETRIC channel operator `M` supplied by its matvec
4268/// `m_matvec(v) = M·v`. `sinv_probes[j] = S⁻¹ v_j` is the bundle from
4269/// [`reduced_schur_inverse_probe_solves`] and `probes` the matching probe set.
4270///
4271/// The general umbrella (#2080): every dense-`S⁻¹` consumer in the SAE outer
4272/// gradient — the per-row selected-inverse deflation corrections
4273/// (`M = Σ_i G_iᵀ C_i G_i`), the direct β–β contractions (`M = ∂H_ββ` channel),
4274/// and the θ-adjoint — is ultimately a `tr(S⁻¹·M)` with `M·v` computable
4275/// row-locally without forming `M`. Estimating them all from the SAME
4276/// `(probes, S⁻¹ v_j)` pair keeps the value, ρ-gradient, and θ-adjoint one
4277/// functional. Unbiased for the ±1 Rademacher probes (`E[vᵀ S⁻¹ M v] =
4278/// tr(S⁻¹ M)`). `None` on a length mismatch or a non-finite accumulation.
4279pub fn hutchinson_reduced_schur_inverse_trace(
4280 probes: &[Array1<f64>],
4281 sinv_probes: &[Array1<f64>],
4282 m_matvec: &(impl Fn(ArrayView1<f64>) -> Array1<f64> + Sync),
4283) -> Option<f64> {
4284 let m = probes.len();
4285 if m == 0 || sinv_probes.len() != m {
4286 return None;
4287 }
4288 let mut acc = 0.0_f64;
4289 for (v, y) in probes.iter().zip(sinv_probes) {
4290 let mv = m_matvec(v.view());
4291 acc += y.dot(&mv);
4292 }
4293 acc /= m as f64;
4294 acc.is_finite().then_some(acc)
4295}
4296
4297/// Accumulate one row's reduced-Schur point-elimination contribution
4298/// `H_βt^(i) (H_tt^(i))⁻¹ H_tβ^(i) x` (length `K`) into `acc`.
4299///
4300/// `local` is caller-owned `≥ sys.d`-length scratch (reused across rows to keep
4301/// the hot loop allocation-free); only `..di` is touched. `acc` is **added to**,
4302/// never cleared, so the caller controls whether contributions sum into a chunk
4303/// partial (parallel path) or a per-row buffer (sequential path).
4304#[inline]
4305pub(crate) fn schur_matvec_row_into<B: BatchedBlockSolver>(
4306 sys: &ArrowSchurSystem,
4307 htt_factors: &ArrowFactorSlab,
4308 x: &Array1<f64>,
4309 backend: &B,
4310 i: usize,
4311 local: &mut Array1<f64>,
4312 acc: &mut Array1<f64>,
4313) {
4314 let row = &sys.rows[i];
4315 let di = sys.row_dims[i];
4316 // H_tβ^(i) · x → local[..di], routed through sys.htbeta_matvec
4317 // when the dense block is absent.
4318 let mut local_i = local.slice_mut(ndarray::s![..di]).to_owned();
4319 local_i.fill(0.0);
4320 sys_htbeta_apply_row(sys, i, row, x.view(), &mut local_i);
4321 let solved = backend.solve_block_vector(htt_factors.factor(i), local_i.view());
4322 // H_βt^(i) · solved accumulates into acc (length k). Routed through
4323 // sys.htbeta_matvec when needed.
4324 sys_htbeta_accumulate_transpose(sys, i, row, solved.view(), acc);
4325}
4326
4327/// One per-term block factor for the block-Jacobi Schur preconditioner.
4328///
4329/// Carries either a dense Cholesky factor (for PD blocks ≤ 256 columns) or
4330/// the scalar inverses for that block's diagonal as a fallback.
4331#[derive(Clone)]
4332pub(crate) enum BlockFactor {
4333 /// Cholesky L stored column-major via faer. `range` identifies the
4334 /// columns in the full K-vector this block covers.
4335 Chol {
4336 factor: FaerLlt<f64>,
4337 range: Range<usize>,
4338 },
4339 /// Scalar fallback: per-element `1/s_aa` for each column in `range`.
4340 Scalar {
4341 inv: Array1<f64>,
4342 range: Range<usize>,
4343 },
4344}
4345
4346impl std::fmt::Debug for BlockFactor {
4347 fn fmt(&self, f: &mut std::fmt::Formatter<'_>) -> std::fmt::Result {
4348 match self {
4349 BlockFactor::Chol { range, .. } => {
4350 write!(f, "BlockFactor::Chol {{ range: {:?} }}", range)
4351 }
4352 BlockFactor::Scalar { inv, range } => {
4353 write!(
4354 f,
4355 "BlockFactor::Scalar {{ inv.len: {}, range: {:?} }}",
4356 inv.len(),
4357 range
4358 )
4359 }
4360 }
4361 }
4362}
4363
4364/// Block-Jacobi Schur preconditioner for BA's inexact reduced-system PCG.
4365///
4366/// When [`ArrowSchurSystem::block_offsets`] is populated (via
4367/// [`ArrowSchurSystem::set_block_offsets`]) and the largest block has ≤ 256
4368/// columns, builds one small dense Schur block per term, factors it with
4369/// Cholesky (faer LLT), and applies the preconditioner as per-block
4370/// triangular solves. Non-PD blocks fall back to scalar diagonal inversion
4371/// for that block only. When `block_offsets` is empty or the largest block
4372/// exceeds 256 columns the preconditioner reduces to pure scalar-diagonal
4373/// Jacobi (pre-#283 behaviour), so callers that have not called
4374/// `set_block_offsets` are unaffected.
4375///
4376/// The `block_offsets` plumbing is compatible with issue #287 (custom
4377/// `ParameterBlockSpec` families): those callers supply ranges derived from
4378/// their own block layout.
4379#[derive(Debug, Clone)]
4380pub struct JacobiPreconditioner {
4381 pub(crate) blocks: Vec<BlockFactor>,
4382}
4383
4384/// Maximum block size for which we attempt dense block-Jacobi factorization.
4385pub(crate) const BLOCK_JACOBI_MAX_BLOCK: usize = 256;
4386
4387/// Positive-definiteness floor on a Schur-complement Jacobi diagonal entry.
4388/// A diagonal at or below this value (or non-finite) signals a non-PD reduced
4389/// system: the preconditioner cannot invert it, so the PCG solve fails loudly
4390/// and demands operator regularization rather than returning a garbage scale.
4391pub(crate) const JACOBI_DIAGONAL_PD_FLOOR: f64 = 1e-18;
4392
4393impl JacobiPreconditioner {
4394 /// Build the block-Jacobi (or scalar fallback) preconditioner from the
4395 /// Arrow-Schur system without materializing the full dense Schur
4396 /// complement.
4397 ///
4398 /// When `sys.block_offsets` is non-empty and `max(block_size) ≤ 256`,
4399 /// each block gets a dense `b×b` Schur sub-matrix formed, factored, and
4400 /// stored. Otherwise every column gets its own scalar entry.
4401 pub(crate) fn from_arrow_schur<B: BatchedBlockSolver + Sync>(
4402 sys: &ArrowSchurSystem,
4403 htt_factors: &ArrowFactorSlab,
4404 ridge_beta: f64,
4405 backend: &B,
4406 resident: Option<&SaeResidentReducedSchur>,
4407 ) -> Result<Self, ArrowSchurError> {
4408 let use_block = !sys.block_offsets.is_empty()
4409 && sys
4410 .block_offsets
4411 .iter()
4412 .map(|r| r.end.saturating_sub(r.start))
4413 .max()
4414 .unwrap_or(0)
4415 <= BLOCK_JACOBI_MAX_BLOCK;
4416 if use_block {
4417 if let Some(res) = resident {
4418 Self::build_block_jacobi_resident(sys, ridge_beta, res)
4419 } else {
4420 Self::build_block_jacobi(sys, htt_factors, ridge_beta, backend)
4421 }
4422 } else if let Some(res) = resident {
4423 // #1017 — SAE residency scalar Jacobi. The generic scalar build
4424 // probes `H_tβ^(i) e_a` and re-solves `(H_tt^(i))⁻¹` once for EVERY
4425 // (row, β-column) pair: `O(n·K)` triangular solves and `O(n·K·p)`
4426 // operator-probe work per Newton step, with `K = K_atoms·p` in the
4427 // tens of thousands at LLM shapes. The reduced-Schur diagonal is the
4428 // same quotient the resident `(L_i, Y_i)` factors already carry, so
4429 // read the diagonal straight off them in one support-sparse pass —
4430 // no probe, no per-column solve.
4431 Self::build_scalar_jacobi_resident(sys, ridge_beta, res)
4432 } else {
4433 Self::build_scalar_jacobi(sys, htt_factors, ridge_beta, backend)
4434 }
4435 }
4436
4437 /// Build scalar-diagonal Jacobi: one `BlockFactor::Scalar` of length 1
4438 /// per column. Matches pre-#283 semantics.
4439 ///
4440 /// When `sys.htbeta_matvec` is set and per-row `htbeta` slabs are absent,
4441 /// each column is probed via the matvec (one call per column per row).
4442 pub(crate) fn build_scalar_jacobi<B: BatchedBlockSolver + Sync>(
4443 sys: &ArrowSchurSystem,
4444 htt_factors: &ArrowFactorSlab,
4445 ridge_beta: f64,
4446 backend: &B,
4447 ) -> Result<Self, ArrowSchurError> {
4448 let k = sys.k;
4449 // Extract diagonal of H_ββ via penalty_diagonal_add (#296):
4450 // no Arc-clone; falls back to hbb_diag or hbb[[a,a]] inline.
4451 let mut diag = Array1::<f64>::zeros(k);
4452 {
4453 let diag_slice = diag.as_slice_mut().expect("diag must be contiguous");
4454 sys.penalty_diagonal_add(diag_slice);
4455 }
4456 for a in 0..k {
4457 diag[a] += ridge_beta;
4458 }
4459 // Per-row body: subtract this row's `Σ_a (H_tβ^(i)e_a)ᵀ(H_tt^(i))⁻¹
4460 // (H_tβ^(i)e_a)` contribution into a caller-provided length-`K` diagonal
4461 // accumulator (`-=`). For each column `a`, probe the cross-block (or read
4462 // the dense slab) and compute the scalar point-elimination quotient. The
4463 // `O(K)` solves per row are the build's whole cost; the row contributions
4464 // are independent length-`K` vectors, so a worker sums a chunk into a
4465 // private `diag_part` and the caller folds the partials back in chunk
4466 // order — bit-identical run-to-run (the #1017 preconditioner gate).
4467 let row_into = |i: usize, row: &ArrowRowBlock, diag_part: &mut Array1<f64>| {
4468 let di = sys.row_dims[i];
4469 // Dense-slab fast path (#1017): when the per-row cross-block is a
4470 // materialized `di × k` slab (no matrix-free operator), the entire
4471 // reduced-Schur diagonal contribution for this row is
4472 // `Σ_c H_tβ[c,a] · ((H_tt)⁻¹ H_tβ)[c,a]`. The generic loop below
4473 // re-solved `(H_tt)⁻¹` once PER COLUMN — `O(k)` block solves + `O(k)`
4474 // allocations per row, i.e. `O(n·k)` tiny solves per Newton step
4475 // (the dominant fixed per-solve cost at the SAE wide-border shape,
4476 // k in the tens of thousands). Solve all `k` columns in ONE batched
4477 // block solve instead, then take the column dots. Reassociates the
4478 // diagonal within the documented #1211 preconditioner margin (same as
4479 // the resident no-probe path), and the preconditioner only steers the
4480 // PCG iterate, which still terminates at the PCG tolerance.
4481 if sys.htbeta_matvec.is_none() && row.htbeta.dim() == (di, k) {
4482 let solved = backend.solve_block_matrix(htt_factors.factor(i), row.htbeta.view());
4483 for a in 0..k {
4484 let mut acc = 0.0;
4485 for c in 0..di {
4486 acc += row.htbeta[[c, a]] * solved[[c, a]];
4487 }
4488 diag_part[a] -= acc;
4489 }
4490 return;
4491 }
4492 // Matrix-free path: probe column a. `e_a` stays all-zero between
4493 // columns — set the single active entry and reset it after the probe,
4494 // so we never pay the `O(k)` `e_a.fill(0.0)` per column (that fill was
4495 // `O(n·k²)`). `sys_htbeta_apply_row` zeroes `col_i` internally.
4496 let mut col_i = Array1::<f64>::zeros(di);
4497 let mut e_a = Array1::<f64>::zeros(k);
4498 for a in 0..k {
4499 e_a[a] = 1.0;
4500 sys_htbeta_apply_row(sys, i, row, e_a.view(), &mut col_i);
4501 e_a[a] = 0.0;
4502 let solved = backend.solve_block_vector(htt_factors.factor(i), col_i.view());
4503 let mut acc = 0.0;
4504 for c in 0..di {
4505 acc += col_i[c] * solved[c];
4506 }
4507 diag_part[a] -= acc;
4508 }
4509 };
4510 let n = sys.rows.len();
4511 let parallel =
4512 n >= SCHUR_MATVEC_PARALLEL_ROW_MIN && rayon::current_thread_index().is_none();
4513 if parallel {
4514 use rayon::prelude::*;
4515 const CHUNK: usize = 64;
4516 let partials: Vec<Array1<f64>> = (0..n)
4517 .into_par_iter()
4518 .chunks(CHUNK)
4519 .map(|idxs| {
4520 let mut diag_part = Array1::<f64>::zeros(k);
4521 for i in idxs {
4522 row_into(i, &sys.rows[i], &mut diag_part);
4523 }
4524 diag_part
4525 })
4526 .collect();
4527 // Deterministic ordered reduction: fold chunk partials left-to-right.
4528 for part in &partials {
4529 for a in 0..k {
4530 diag[a] += part[a];
4531 }
4532 }
4533 } else {
4534 for (i, row) in sys.rows.iter().enumerate() {
4535 row_into(i, row, &mut diag);
4536 }
4537 }
4538 let mut blocks = Vec::with_capacity(k);
4539 for a in 0..k {
4540 let v = diag[a];
4541 if !v.is_finite() || v <= JACOBI_DIAGONAL_PD_FLOOR {
4542 return Err(ArrowSchurError::PcgFailed {
4543 reason: format!(
4544 "invalid Schur Jacobi diagonal at index {a}: {v}; \
4545 operator regularization is required"
4546 ),
4547 });
4548 }
4549 blocks.push(BlockFactor::Scalar {
4550 inv: Array1::from_elem(1, 1.0 / v),
4551 range: a..a + 1,
4552 });
4553 }
4554 Ok(Self { blocks })
4555 }
4556
4557 /// Build scalar-diagonal Jacobi from the pre-staged SAE residency factors
4558 /// `(L_i, Y_i)` (#1017).
4559 ///
4560 /// The generic [`Self::build_scalar_jacobi`] forms each reduced-Schur
4561 /// diagonal entry `S_aa = H_ββ,aa + ρ − Σ_i (H_tβ^(i) e_a)ᵀ(H_tt^(i))⁻¹(H_tβ^(i) e_a)`
4562 /// by probing the cross-block operator with the unit vector `e_a` and
4563 /// re-solving `(H_tt^(i))⁻¹` for every `(row, column)` pair — `O(n·K)`
4564 /// triangular solves per Newton step. For the SAE Kronecker cross-block the
4565 /// `a`-th column lives on exactly one active support entry: `a = beta_base + j`
4566 /// for some `(beta_base, φ) ∈ a_phi[i]` and output channel `j ∈ 0..p`, with
4567 /// `H_tβ^(i) e_a = φ · L_i[:, j]`. The point-elimination quotient is then
4568 ///
4569 /// ```text
4570 /// (H_tβ^(i) e_a)ᵀ (H_tt^(i))⁻¹ (H_tβ^(i) e_a)
4571 /// = φ² · L_i[:, j]ᵀ (H_tt^(i))⁻¹ L_i[:, j]
4572 /// = φ² · (L_i[:, j] · Y_i[:, j]), Y_i := (H_tt^(i))⁻¹ L_i.
4573 /// ```
4574 ///
4575 /// so the whole diagonal is accumulated in ONE support-sparse pass over the
4576 /// resident factors — no probe, no per-column solve, the staged `Y_i` reused
4577 /// from the matvec residency. The result is the SAME quotient the generic
4578 /// path computes (up to float reassociation of the row sum), so the PCG
4579 /// preconditioner is unchanged up to that f64 margin. Since the preconditioner
4580 /// only steers the iterate (which still terminates at the PCG tolerance), the
4581 /// criterion ranking is stable except for candidates within that margin,
4582 /// where the near-tie winner can flip — not an exact no-move guarantee (#1211).
4583 pub(crate) fn build_scalar_jacobi_resident(
4584 sys: &ArrowSchurSystem,
4585 ridge_beta: f64,
4586 resident: &SaeResidentReducedSchur,
4587 ) -> Result<Self, ArrowSchurError> {
4588 let k = sys.k;
4589 let p = resident.p;
4590 let n = resident.rows.len();
4591 // Seed with diag(H_ββ) + ridge — same penalty source the generic path
4592 // reads, so the only difference is how the point-elimination term is
4593 // gathered.
4594 let mut diag = Array1::<f64>::zeros(k);
4595 {
4596 let diag_slice = diag.as_slice_mut().expect("diag must be contiguous");
4597 sys.penalty_diagonal_add(diag_slice);
4598 }
4599 for a in 0..k {
4600 diag[a] += ridge_beta;
4601 }
4602 // Per-row point-elimination diagonal: for each active support entry
4603 // `(beta_base, φ)` and channel `j`, subtract `φ² · L_i[:, j]·Y_i[:, j]`
4604 // into `diag[beta_base + j]`. `L_i`/`Y_i` are row-major `di × p`, so the
4605 // `j`-th column dot is `Σ_r L_i[r·p + j]·Y_i[r·p + j]`.
4606 //
4607 // The accumulation is into a SHARED `diag` (rows scatter into overlapping
4608 // `beta_base + j` columns), so — like the generic `build_scalar_jacobi`
4609 // and the `schur_matvec` row loop (#1017) — parallelism uses worker-private
4610 // length-`K` partials folded back in chunk order: each chunk is a
4611 // contiguous ascending row range and rows within it stay ascending, so the
4612 // chunk-ordered fold reproduces the serial `row = 0..n` subtraction order
4613 // bit-for-bit run-to-run (the #1017 determinism gate). Run-to-run
4614 // bit-identity does not extend to bit-identity with the in-place serial
4615 // accumulation, so the preconditioner — and any criterion ranking it
4616 // steers — is stable only up to the chunk-reassociation margin; a near-tie
4617 // winner inside that margin can flip (#1211).
4618 // This build runs once per inexact-PCG solve = O(inner-Newton-iters)
4619 // per fit; at the SAE LLM shape (thousands of rows, wide border `k`) the
4620 // per-row support sweep is the build's whole cost and was on one core.
4621 // The per-channel column dot `col_dot[j] = Σ_r L_i[r·p+j]·Y_i[r·p+j]`
4622 // (the diagonal of `G_i = L_iᵀ(H_tt)⁻¹L_i`) depends ONLY on the row `i`,
4623 // not on the support entry `(beta_base, φ)`. The previous loop recomputed
4624 // it once per support entry — a row with `m` active atoms paid `m·p`
4625 // column dots over `di`. Hoist it: compute the `p` column dots once per
4626 // row into reusable `col_dot` scratch, then each support entry is a pure
4627 // scatter `diag[beta_base+j] -= φ²·col_dot[j]`. Bit-for-bit identical:
4628 // each `col_dot[j]` is the same `r`-ascending sum, and `φ²·col_dot[j]`
4629 // yields identical bits whether `col_dot[j]` was just computed or cached.
4630 let row_into = |row: usize, diag_part: &mut [f64], col_dot: &mut [f64]| {
4631 let rf = &resident.rows[row];
4632 let di = rf.di;
4633 if di == 0 {
4634 return;
4635 }
4636 let support = &resident.a_phi[row];
4637 if support.is_empty() {
4638 return;
4639 }
4640 // `L_i` is the shared `local_jac[row]` slab (#1033) — byte-for-byte
4641 // the former per-row `rf.l` copy.
4642 let l_i = &resident.local_jac[row];
4643 for (j, slot) in col_dot.iter_mut().enumerate().take(p) {
4644 let mut acc = 0.0_f64;
4645 for r in 0..di {
4646 let idx = r * p + j;
4647 acc += l_i[idx] * rf.y[idx];
4648 }
4649 *slot = acc;
4650 }
4651 for &(beta_base, phi) in support {
4652 if phi == 0.0 {
4653 continue;
4654 }
4655 let phi2 = phi * phi;
4656 for j in 0..p {
4657 diag_part[beta_base + j] -= phi2 * col_dot[j];
4658 }
4659 }
4660 };
4661 let parallel =
4662 n >= SCHUR_MATVEC_PARALLEL_ROW_MIN && rayon::current_thread_index().is_none();
4663 if parallel {
4664 use rayon::prelude::*;
4665 const CHUNK: usize = 64;
4666 let partials: Vec<Array1<f64>> = (0..n)
4667 .into_par_iter()
4668 .chunks(CHUNK)
4669 .map(|idxs| {
4670 let mut diag_part = Array1::<f64>::zeros(k);
4671 let mut col_dot = vec![0.0_f64; p];
4672 let slice = diag_part
4673 .as_slice_mut()
4674 .expect("diag_part must be contiguous");
4675 for i in idxs {
4676 row_into(i, slice, &mut col_dot);
4677 }
4678 diag_part
4679 })
4680 .collect();
4681 // Deterministic ordered reduction: fold chunk partials left-to-right
4682 // (each partial already holds the per-row terms subtracted, so add
4683 // them into `diag` in chunk order to mirror the serial subtraction).
4684 for part in &partials {
4685 for a in 0..k {
4686 diag[a] += part[a];
4687 }
4688 }
4689 } else {
4690 let diag_slice = diag.as_slice_mut().expect("diag must be contiguous");
4691 let mut col_dot = vec![0.0_f64; p];
4692 for row in 0..n {
4693 row_into(row, diag_slice, &mut col_dot);
4694 }
4695 }
4696 let mut blocks = Vec::with_capacity(k);
4697 for a in 0..k {
4698 let v = diag[a];
4699 if !v.is_finite() || v <= JACOBI_DIAGONAL_PD_FLOOR {
4700 return Err(ArrowSchurError::PcgFailed {
4701 reason: format!(
4702 "invalid SAE-resident Schur Jacobi diagonal at index {a}: {v}; \
4703 operator regularization is required"
4704 ),
4705 });
4706 }
4707 blocks.push(BlockFactor::Scalar {
4708 inv: Array1::from_elem(1, 1.0 / v),
4709 range: a..a + 1,
4710 });
4711 }
4712 Ok(Self { blocks })
4713 }
4714
4715 /// Build block-Jacobi from the pre-staged SAE residency factors `(L_i, Y_i)`.
4716 ///
4717 /// This is the block analogue of [`Self::build_scalar_jacobi_resident`].
4718 /// When SAE block offsets are small enough to select BetaBlockJacobi (for
4719 /// example per-atom decoder blocks with `basis_size·p <= 256`), the generic
4720 /// block builder materializes every row's dense `(d_i × K)` `H_tβ` by probing
4721 /// the matrix-free operator, then re-solves `(H_tt)⁻¹` for each block column.
4722 /// The resident factors already carry `G_i = L_iᵀ(H_tt)⁻¹L_i`, so each block
4723 /// is assembled by scattering only the active support pairs inside that block:
4724 ///
4725 /// ```text
4726 /// S_block -= Σ_i Σ_(s,t in block support) φ_s φ_t · G_i[channel_s, channel_t]
4727 /// ```
4728 ///
4729 /// It computes the same block-diagonal restriction as the generic path, but
4730 /// avoids the full-row `H_tβ` materialization and per-column triangular solves.
4731 pub(crate) fn build_block_jacobi_resident(
4732 sys: &ArrowSchurSystem,
4733 ridge_beta: f64,
4734 resident: &SaeResidentReducedSchur,
4735 ) -> Result<Self, ArrowSchurError> {
4736 let block_offsets = &sys.block_offsets;
4737 let p = resident.p;
4738 let mut schur_blocks: Vec<Array2<f64>> = Vec::with_capacity(block_offsets.len());
4739 for (block_idx, range) in block_offsets.iter().enumerate() {
4740 let b = range.end - range.start;
4741 let mut schur_block = Array2::<f64>::zeros((b, b));
4742 sys.penalty_block_add(
4743 BetaBlockId(block_idx),
4744 block_offsets.as_ref(),
4745 &mut schur_block,
4746 );
4747 for bi in 0..b {
4748 schur_block[[bi, bi]] += ridge_beta;
4749 }
4750 schur_blocks.push(schur_block);
4751 }
4752
4753 let row_into = |row: usize, blocks: &mut [Array2<f64>]| {
4754 let rf = &resident.rows[row];
4755 let di = rf.di;
4756 if di == 0 {
4757 return;
4758 }
4759 let support = &resident.a_phi[row];
4760 if support.is_empty() {
4761 return;
4762 }
4763 // `L_i` is the shared `local_jac[row]` slab (#1033) — byte-for-byte
4764 // the former per-row `rf.l` copy.
4765 let l_i = &resident.local_jac[row];
4766 for (block_idx, range) in block_offsets.iter().enumerate() {
4767 let block = &mut blocks[block_idx];
4768 for &(base_left, phi_left) in support {
4769 if phi_left == 0.0 {
4770 continue;
4771 }
4772 let left_start = base_left.max(range.start);
4773 let left_end = (base_left + p).min(range.end);
4774 if left_start >= left_end {
4775 continue;
4776 }
4777 for &(base_right, phi_right) in support {
4778 if phi_right == 0.0 {
4779 continue;
4780 }
4781 let right_start = base_right.max(range.start);
4782 let right_end = (base_right + p).min(range.end);
4783 if right_start >= right_end {
4784 continue;
4785 }
4786 let phi = phi_left * phi_right;
4787 for gi in left_start..left_end {
4788 let li = gi - range.start;
4789 let ch_i = gi - base_left;
4790 for gj in right_start..right_end {
4791 let lj = gj - range.start;
4792 let ch_j = gj - base_right;
4793 let mut gij = 0.0_f64;
4794 for r in 0..di {
4795 gij += l_i[r * p + ch_i] * rf.y[r * p + ch_j];
4796 }
4797 block[[li, lj]] -= phi * gij;
4798 }
4799 }
4800 }
4801 }
4802 }
4803 };
4804
4805 let n = resident.rows.len();
4806 let parallel =
4807 n >= SCHUR_MATVEC_PARALLEL_ROW_MIN && rayon::current_thread_index().is_none();
4808 if parallel {
4809 use rayon::prelude::*;
4810 const CHUNK: usize = 64;
4811 let n_blocks = block_offsets.len();
4812 let block_dims: Vec<usize> = block_offsets.iter().map(|r| r.end - r.start).collect();
4813 let partials: Vec<Vec<Array2<f64>>> = (0..n)
4814 .into_par_iter()
4815 .chunks(CHUNK)
4816 .map(|idxs| {
4817 let mut local: Vec<Array2<f64>> = block_dims
4818 .iter()
4819 .map(|&b| Array2::<f64>::zeros((b, b)))
4820 .collect();
4821 for i in idxs {
4822 row_into(i, &mut local);
4823 }
4824 local
4825 })
4826 .collect();
4827 for local in &partials {
4828 for bidx in 0..n_blocks {
4829 schur_blocks[bidx] += &local[bidx];
4830 }
4831 }
4832 } else {
4833 for row in 0..n {
4834 row_into(row, &mut schur_blocks);
4835 }
4836 }
4837
4838 let mut blocks = Vec::with_capacity(block_offsets.len());
4839 for (block_idx, range) in block_offsets.iter().enumerate() {
4840 let b = range.end - range.start;
4841 let schur_block = &schur_blocks[block_idx];
4842 let factor_opt = {
4843 use faer::Side;
4844 let view = FaerArrayView::new(schur_block);
4845 FaerLlt::new(view.as_ref(), Side::Lower).ok()
4846 };
4847 if let Some(llt) = factor_opt {
4848 blocks.push(BlockFactor::Chol {
4849 factor: llt,
4850 range: range.clone(),
4851 });
4852 } else {
4853 let mut inv = Array1::<f64>::zeros(b);
4854 for bi in 0..b {
4855 let v = schur_block[[bi, bi]];
4856 if !v.is_finite() || v <= JACOBI_DIAGONAL_PD_FLOOR {
4857 return Err(ArrowSchurError::PcgFailed {
4858 reason: format!(
4859 "SAE-resident block Jacobi scalar fallback: non-PD diagonal at \
4860 global index {}: {v}; regularization required",
4861 range.start + bi
4862 ),
4863 });
4864 }
4865 inv[bi] = 1.0 / v;
4866 }
4867 blocks.push(BlockFactor::Scalar {
4868 inv,
4869 range: range.clone(),
4870 });
4871 }
4872 }
4873 Ok(Self { blocks })
4874 }
4875
4876 /// Build term-block Jacobi: one dense `b×b` Schur block per term in
4877 /// `sys.block_offsets`.
4878 pub(crate) fn build_block_jacobi<B: BatchedBlockSolver + Sync>(
4879 sys: &ArrowSchurSystem,
4880 htt_factors: &ArrowFactorSlab,
4881 ridge_beta: f64,
4882 backend: &B,
4883 ) -> Result<Self, ArrowSchurError> {
4884 let block_offsets = &sys.block_offsets;
4885
4886 // Initialise every b×b Schur sub-block from H_ββ + ridge·I via
4887 // penalty_block_add (#296): routes to penalty_op or falls back to
4888 // hbb / hbb_diag inline without Arc-clone per loop iteration. These are
4889 // the block-diagonal restrictions of the reduced Schur complement; the
4890 // per-row cross-block contributions are accumulated in the row sweep
4891 // below.
4892 let mut schur_blocks: Vec<Array2<f64>> = Vec::with_capacity(block_offsets.len());
4893 for (block_idx, range) in block_offsets.iter().enumerate() {
4894 let b = range.end - range.start;
4895 let mut schur_block = Array2::<f64>::zeros((b, b));
4896 sys.penalty_block_add(
4897 BetaBlockId(block_idx),
4898 block_offsets.as_ref(),
4899 &mut schur_block,
4900 );
4901 for bi in 0..b {
4902 schur_block[[bi, bi]] += ridge_beta;
4903 }
4904 schur_blocks.push(schur_block);
4905 }
4906
4907 // Subtract Schur contributions:
4908 // S_kk -= H_βt_k^(i) (H_tt^(i))^{-1} H_tβ_k^(i)
4909 //
4910 // Materialize each row's (d_i × K) cross-block ONCE and scatter its
4911 // contribution into every block-diagonal sub-block — mirroring the
4912 // row-outer structure of `build_dense_schur_direct`. The previous
4913 // block-outer form re-materialized every row for each β-block
4914 // (O(n_blocks · n · K) probes); for the matrix-free softmax cross-block
4915 // each materialize is itself O(K²), so that nesting made the
4916 // preconditioner build quadratically more expensive than the direct
4917 // dense Schur it preconditions. sys_htbeta_materialize_row handles the
4918 // Kronecker / htbeta_matvec path transparently.
4919 // Per-row body: materialize the row's `(d_i × K)` cross-block once and
4920 // subtract its `H_βt_k^(i)(H_tt^(i))⁻¹H_tβ_k^(i)` contribution into EACH
4921 // block-diagonal sub-block. Writes INTO a caller-provided `blocks`
4922 // accumulator (`-=`) so a rayon worker can subtract a chunk's rows into
4923 // a worker-private zero-seeded `Vec<Array2>` and the caller folds the
4924 // chunk partials back in chunk order — bit-identical run-to-run
4925 // regardless of thread scheduling (the #1017 verification gate). This
4926 // is deterministic and within the chunk-reassociation margin of serial,
4927 // so the preconditioner, hence the criterion ranking, is stable except
4928 // for near-tie candidates inside that f64 margin — not an exact no-move
4929 // guarantee (#1211).
4930 let row_into = |i: usize,
4931 row: &ArrowRowBlock,
4932 blocks: &mut [Array2<f64>]|
4933 -> Result<(), ArrowSchurError> {
4934 let di = sys.row_dims[i];
4935 let htbeta_full = sys_htbeta_materialize_row(sys, i, row)?;
4936 for (block_idx, range) in block_offsets.iter().enumerate() {
4937 let b = range.end - range.start;
4938 let mut solved_cols = Array2::<f64>::zeros((di, b));
4939 for bj in 0..b {
4940 let gj = range.start + bj;
4941 let rhs = htbeta_full.column(gj).to_owned();
4942 let solved = backend.solve_block_vector(htt_factors.factor(i), rhs.view());
4943 for c in 0..di {
4944 solved_cols[[c, bj]] = solved[c];
4945 }
4946 }
4947 let schur_block = &mut blocks[block_idx];
4948 for bi in 0..b {
4949 let gi = range.start + bi;
4950 for bj in 0..b {
4951 let mut acc = 0.0;
4952 for c in 0..di {
4953 acc += htbeta_full[[c, gi]] * solved_cols[[c, bj]];
4954 }
4955 schur_block[[bi, bj]] -= acc;
4956 }
4957 }
4958 }
4959 Ok(())
4960 };
4961 // Each row materializes an `O(K²)` cross-block (Kronecker) plus `Σ_k b_k`
4962 // triangular solves — the preconditioner build's whole per-row cost at
4963 // the SAE LLM shape (#1017), and the rows are independent. Fan over fixed
4964 // row chunks above the threshold, staying serial for the handful-of-rows
4965 // non-SAE callers and inside a rayon worker (topology-race nesting guard)
4966 // — the same gate `schur_matvec` uses.
4967 let n = sys.rows.len();
4968 let parallel =
4969 n >= SCHUR_MATVEC_PARALLEL_ROW_MIN && rayon::current_thread_index().is_none();
4970 if parallel {
4971 use rayon::prelude::*;
4972 const CHUNK: usize = 64;
4973 let n_blocks = block_offsets.len();
4974 let block_dims: Vec<usize> = block_offsets.iter().map(|r| r.end - r.start).collect();
4975 let partials: Vec<Vec<Array2<f64>>> = (0..n)
4976 .into_par_iter()
4977 .chunks(CHUNK)
4978 .map(|idxs| {
4979 let mut local: Vec<Array2<f64>> = block_dims
4980 .iter()
4981 .map(|&b| Array2::<f64>::zeros((b, b)))
4982 .collect();
4983 for i in idxs {
4984 row_into(i, &sys.rows[i], &mut local)?;
4985 }
4986 Ok::<_, ArrowSchurError>(local)
4987 })
4988 .collect::<Result<Vec<_>, _>>()?;
4989 // Deterministic ordered reduction: fold chunk partials left-to-right.
4990 for local in &partials {
4991 for bidx in 0..n_blocks {
4992 schur_blocks[bidx] += &local[bidx];
4993 }
4994 }
4995 } else {
4996 for (i, row) in sys.rows.iter().enumerate() {
4997 row_into(i, row, &mut schur_blocks)?;
4998 }
4999 }
5000
5001 // Factor each accumulated block: LLT, with scalar-diagonal fallback for
5002 // a block that comes out non-PD at this ridge.
5003 let mut blocks = Vec::with_capacity(block_offsets.len());
5004 for (block_idx, range) in block_offsets.iter().enumerate() {
5005 let b = range.end - range.start;
5006 let schur_block = &schur_blocks[block_idx];
5007 let factor_opt = {
5008 use faer::Side;
5009 let view = FaerArrayView::new(schur_block);
5010 FaerLlt::new(view.as_ref(), Side::Lower).ok()
5011 };
5012 if let Some(llt) = factor_opt {
5013 blocks.push(BlockFactor::Chol {
5014 factor: llt,
5015 range: range.clone(),
5016 });
5017 } else {
5018 // Non-PD block: fall back to scalar diagonal for this block.
5019 let mut inv = Array1::<f64>::zeros(b);
5020 for bi in 0..b {
5021 let v = schur_block[[bi, bi]];
5022 if !v.is_finite() || v <= JACOBI_DIAGONAL_PD_FLOOR {
5023 return Err(ArrowSchurError::PcgFailed {
5024 reason: format!(
5025 "block Jacobi scalar fallback: non-PD diagonal at \
5026 global index {}: {v}; regularization required",
5027 range.start + bi
5028 ),
5029 });
5030 }
5031 inv[bi] = 1.0 / v;
5032 }
5033 blocks.push(BlockFactor::Scalar {
5034 inv,
5035 range: range.clone(),
5036 });
5037 }
5038 }
5039 Ok(Self { blocks })
5040 }
5041
5042 pub(crate) fn apply(&self, r: &Array1<f64>) -> Array1<f64> {
5043 let mut out = Array1::<f64>::zeros(r.len());
5044 for block in &self.blocks {
5045 match block {
5046 BlockFactor::Scalar { inv, range } => {
5047 for (local, gi) in range.clone().enumerate() {
5048 out[gi] = inv[local] * r[gi];
5049 }
5050 }
5051 BlockFactor::Chol { factor, range } => {
5052 let b = range.end - range.start;
5053 let mut rhs = Array1::<f64>::zeros(b);
5054 for (local, gi) in range.clone().enumerate() {
5055 rhs[local] = r[gi];
5056 }
5057 use faer::linalg::solvers::Solve;
5058 let stride = rhs.strides()[0];
5059 let len = rhs.len();
5060 // SAFETY: rhs is a uniquely-borrowed contiguous Array1
5061 // with positive stride (standard layout).
5062 let rhs_mat =
5063 unsafe { faer::MatRef::from_raw_parts(rhs.as_ptr(), len, 1, stride, 0) };
5064 let solved = factor.solve(rhs_mat);
5065 for (local, gi) in range.clone().enumerate() {
5066 out[gi] = solved[(local, 0)];
5067 }
5068 }
5069 }
5070 }
5071 out
5072 }
5073}
5074
5075// ---------------------------------------------------------------------------
5076// Preconditioner ladder: SchurPreconditionerKind, ClusterJacobi,
5077// AdditiveSchwarz (issue #299)
5078// ---------------------------------------------------------------------------
5079
5080/// Which Schur preconditioner to use in the inexact-PCG path.
5081///
5082/// Ladder ordered by cost / effectiveness:
5083/// - `Diagonal`: scalar Jacobi (pre-#283 behaviour).
5084/// - `BetaBlockJacobi`: block-Jacobi per `block_offsets` term (#287).
5085/// - `ClusterJacobi`: one dense block per beta-graph connected component.
5086/// - `AdditiveSchwarz { overlap }`: component + `overlap`-hop expansion,
5087/// overlapping columns averaged by partition-of-unity weights (full dense
5088/// local-inverse apply per subdomain).
5089/// - `DiagAssembledSchwarz { overlap }`: the cheap Schwarz variant (#299) —
5090/// same overlapping decomposition, but each subdomain contributes only the
5091/// diagonal of its local inverse `(A_k⁻¹)_ii`, assembled additively with
5092/// partition-of-unity weights into a single `O(K)`-apply diagonal.
5093/// - `BlockIncompleteCholesky`: level-0 incomplete Cholesky (#299). Within each
5094/// connected component of the β-coupling graph the dense reduced-Schur block
5095/// `S[C,C]` is assembled once, its structural-nonzero pattern is taken as the
5096/// level-0 fill pattern, and a no-fill incomplete Cholesky `S ≈ L̃ L̃ᵀ` is
5097/// formed keeping ONLY that pattern (Saad, *Iterative Methods*, IC(0)). Apply
5098/// is a sparse triangular forward/back solve over `nnz(S[C,C])`, so for a
5099/// large component with internal sparsity it is far cheaper to build and apply
5100/// than `ClusterJacobi`'s full dense Cholesky (which fills the whole `b×b`
5101/// factor) while retaining the inter-block coupling that ClusterJacobi keeps
5102/// but the diagonal/Schwarz tiers discard. A non-PD incomplete pivot degrades
5103/// that component to the scalar reciprocal diagonal.
5104#[derive(Debug, Clone, Copy, PartialEq, Eq)]
5105pub enum SchurPreconditionerKind {
5106 Diagonal,
5107 BetaBlockJacobi,
5108 ClusterJacobi,
5109 /// Cluster-Jacobi whose blocks come from the bounded co-visibility PARTITION
5110 /// (`BetaCouplingGraph::covisibility_cluster_partition`) rather than the
5111 /// connected-component partition. At real over-complete widths the co-firing
5112 /// graph is a single giant component, so plain `ClusterJacobi` exceeds the
5113 /// size cap and degrades to scalar Jacobi; this tier splits that component
5114 /// into bounded strongly-co-firing clusters so the dense per-cluster factor
5115 /// conditions the cross-atom coupling scalar Jacobi cannot see.
5116 CoVisibilityClusterJacobi,
5117 AdditiveSchwarz {
5118 overlap: usize,
5119 },
5120 DiagAssembledSchwarz {
5121 overlap: usize,
5122 },
5123 BlockIncompleteCholesky,
5124}
5125
5126/// Escalate beyond BetaBlockJacobi only when K exceeds this value and PCG
5127/// exhausted `max_iterations`.
5128pub(crate) const PRECOND_ESCALATE_K_THRESHOLD: usize = 100;
5129
5130/// #1026 matrix-free Schur curvature-floor (the unbounded-PCG analogue of the
5131/// dense `spectral_pd_floored_schur`). On `pᵀSp ≤ 0` in the unbounded SAE inner
5132/// PCG, the operator ridge is lifted by the minimal amount that restores
5133/// positive curvature along the offending direction, plus this fractional
5134/// margin (so the next CG iterate sits strictly inside the positive cone, not on
5135/// the `0` knife-edge).
5136pub(crate) const SCHUR_CURVATURE_FLOOR_MARGIN: f64 = 1.0e-2;
5137/// Lower bound on the curvature-floor ridge bump, relative to the rhs scale, so
5138/// a `pᵀSp` that rounds to exactly `0` still gets a strictly positive bump.
5139pub(crate) const SCHUR_CURVATURE_FLOOR_REL_FLOOR: f64 = 1.0e-12;
5140/// Ceiling on the accumulated curvature-floor ridge, relative to the rhs scale.
5141/// Beyond this the operator is treated as un-conditionable by a minimal floor
5142/// and the recoverable failure is handed to the outer LM loop (which re-forms
5143/// the whole system at a heavier ridge). Generous so that a large collapsed
5144/// over-subtraction `(H_tβ)²/H_tt` is still reachable.
5145pub(crate) const SCHUR_CURVATURE_FLOOR_REL_CEILING: f64 = 1.0e12;
5146/// Multiplicative growth for the DIAGONAL-refusal ridge escalation (no
5147/// `(curvature, ‖p‖²)` deficit is available there), matching the per-row
5148/// `factor_one_row_result` `RIDGE_GROWTH_FACTOR`.
5149pub(crate) const SCHUR_CURVATURE_FLOOR_DIAG_GROWTH: f64 = 10.0;
5150/// Max curvature-floor ridge-lift attempts before deferring to the outer LM
5151/// loop. The diagonal-refusal path grows ×10 per attempt, so this bounds the
5152/// reachable ridge at `rhs_scale · 10^(attempts)` — ample for any realistic
5153/// over-subtraction while still bounded.
5154pub(crate) const SCHUR_CURVATURE_FLOOR_MAX_ATTEMPTS: usize = 24;
5155
5156/// Cholesky or scalar factor for one cluster of the beta-coefficient graph.
5157#[derive(Clone)]
5158pub(crate) enum ClusterFactor {
5159 Chol {
5160 cols: Vec<usize>,
5161 factor: FaerLlt<f64>,
5162 },
5163 Scalar {
5164 cols: Vec<usize>,
5165 inv: Vec<f64>,
5166 },
5167}
5168
5169impl std::fmt::Debug for ClusterFactor {
5170 fn fmt(&self, f: &mut std::fmt::Formatter<'_>) -> std::fmt::Result {
5171 match self {
5172 ClusterFactor::Chol { cols, .. } => {
5173 write!(f, "ClusterFactor::Chol {{ cols.len: {} }}", cols.len())
5174 }
5175 ClusterFactor::Scalar { cols, inv } => write!(
5176 f,
5177 "ClusterFactor::Scalar {{ cols.len: {}, inv.len: {} }}",
5178 cols.len(),
5179 inv.len()
5180 ),
5181 }
5182 }
5183}
5184
5185/// Maximum columns per cluster before scalar fallback.
5186pub(crate) const CLUSTER_JACOBI_MAX_CLUSTER: usize = 512;
5187
5188/// Host-memory budget for ONE cluster's dense reduced-Schur Cholesky factor
5189/// (the `b×b` f64 `L` the cluster-Jacobi preconditioner stores and applies).
5190///
5191/// The co-visibility cluster partition caps a cluster's total column count `b`
5192/// at the largest value whose factor fits this budget, `b_max = ⌊√(budget/8)⌋`
5193/// (`8b²` bytes for an `f64` `b×b` factor). This DERIVES the cluster-size cap
5194/// from the factor's memory footprint rather than asserting a bare number:
5195/// beyond `b_max` the dense factor's `O(b²)` apply also throttles the CG
5196/// iteration budget, so the cap is the point past which a single dense block
5197/// stops being the right preconditioner and the partition must split instead.
5198/// 2 MiB ⇒ `b_max = 512`, pinned equal to [`CLUSTER_JACOBI_MAX_CLUSTER`] by
5199/// [`tests::covisibility_cap_is_derived_from_factor_budget`] so the co-visibility
5200/// partition and the legacy scalar-fallback ceiling agree by construction.
5201pub(crate) const CLUSTER_SCHUR_FACTOR_BYTES_BUDGET: u128 = 2 * 1024 * 1024;
5202
5203/// Derived co-visibility cluster-size cap (columns): the largest `b` whose dense
5204/// `b×b` f64 Cholesky factor fits [`CLUSTER_SCHUR_FACTOR_BYTES_BUDGET`]. See that
5205/// constant for the memory justification. Never below 1.
5206pub(crate) fn covisibility_cluster_max_cols() -> usize {
5207 let b = ((CLUSTER_SCHUR_FACTOR_BYTES_BUDGET / 8) as f64)
5208 .sqrt()
5209 .floor() as usize;
5210 b.max(1)
5211}
5212
5213/// Maximum columns in a single connected component for which the IC(0)
5214/// preconditioner assembles the dense `S[C,C]` to derive its sparsity pattern.
5215/// IC(0) is cheap to APPLY at any size, but the pattern is read from the dense
5216/// assembly, which is `O(b²)` memory; beyond this the component falls back to
5217/// the scalar reciprocal diagonal (the same ceiling concern as
5218/// `CLUSTER_JACOBI_MAX_CLUSTER`, lifted because the IC(0) FACTOR is sparse).
5219pub(crate) const IC0_MAX_COMPONENT: usize = 4096;
5220
5221/// Relative threshold below which an assembled `S[i,j]` is treated as a
5222/// structural zero when deriving the IC(0) level-0 pattern. Scaled by
5223/// `sqrt(|S_ii|·|S_jj|)` so it is invariant to column scaling; this prunes
5224/// entries that are pure FMA round-off (a genuinely decoupled `(i,j)` pair
5225/// assembles to ~0) so they do not enter the kept fill pattern.
5226pub(crate) const IC0_PATTERN_REL_DROP: f64 = 1.0e-13;
5227
5228/// Assemble the dense `b×b` reduced-Schur block for the column set `cols`:
5229/// `S[cols, cols] = H_ββ[cols, cols] + ridge·I − Σ_i H_tβ[cols]ᵀ (H_tt^i)⁻¹ H_tβ[cols]`.
5230///
5231/// Shared by `ClusterJacobiPreconditioner::build_from_column_groups` (which
5232/// Cholesky-factors the returned block) and `DiagAssembledSchwarzPreconditioner`
5233/// (which inverts each subdomain block and keeps only its diagonal). The result
5234/// is the LOWER triangle filled by the row reduction; callers that need the full
5235/// symmetric block must `symmetrize_upper_from_lower`.
5236///
5237/// The per-row Schur contribution is fanned over fixed 64-row chunks above
5238/// `SCHUR_MATVEC_PARALLEL_ROW_MIN` and folded left-to-right so the assembly is
5239/// bit-identical to the serial path (and run-to-run deterministic), exactly as
5240/// in `build_block_jacobi` (#1017).
5241pub(crate) fn assemble_local_schur_block<B: BatchedBlockSolver + Sync>(
5242 sys: &ArrowSchurSystem,
5243 htt_factors: &ArrowFactorSlab,
5244 ridge_beta: f64,
5245 backend: &B,
5246 cols: &[usize],
5247) -> Array2<f64> {
5248 let b = cols.len();
5249 let mut s_block = Array2::<f64>::zeros((b, b));
5250 // Initialise from H_ββ via penalty_subblock_add (#296): routes through
5251 // penalty_op or falls back to hbb / hbb_diag inline.
5252 sys.penalty_subblock_add(cols, &mut s_block);
5253 for bi in 0..b {
5254 s_block[[bi, bi]] += ridge_beta;
5255 }
5256 let cluster_row_into = |row_idx: usize, row: &ArrowRowBlock, acc: &mut Array2<f64>| {
5257 // Materialize the b needed cross-block columns through the ROUTED
5258 // `H_tβ` convention (`sys_htbeta_apply_row`: matrix-free operator plus
5259 // any dense supplement) at the row's OWN width `di` — never a raw
5260 // `row.htbeta` read at the global `sys.d`: matvec-backed rows carry
5261 // absent/zero-sized slabs by contract (a raw read is wrong or panics),
5262 // and per-row widths vary.
5263 let di = sys.row_dims[row_idx];
5264 let mut e_g = Array1::<f64>::zeros(sys.k);
5265 let mut col_i = Array1::<f64>::zeros(di);
5266 let mut cols_mat = Array2::<f64>::zeros((di, b));
5267 let mut solved_cols = Array2::<f64>::zeros((di, b));
5268 for bj in 0..b {
5269 let gj = cols[bj];
5270 e_g[gj] = 1.0;
5271 sys_htbeta_apply_row(sys, row_idx, row, e_g.view(), &mut col_i);
5272 e_g[gj] = 0.0;
5273 let solved = backend.solve_block_vector(htt_factors.factor(row_idx), col_i.view());
5274 for c in 0..di {
5275 cols_mat[[c, bj]] = col_i[c];
5276 solved_cols[[c, bj]] = solved[c];
5277 }
5278 }
5279 for bi in 0..b {
5280 for bj in 0..b {
5281 let mut dot = 0.0;
5282 for c in 0..di {
5283 dot += cols_mat[[c, bi]] * solved_cols[[c, bj]];
5284 }
5285 acc[[bi, bj]] -= dot;
5286 }
5287 }
5288 };
5289 let n = sys.rows.len();
5290 let parallel = n >= SCHUR_MATVEC_PARALLEL_ROW_MIN && rayon::current_thread_index().is_none();
5291 if parallel {
5292 use rayon::prelude::*;
5293 const CHUNK: usize = 64;
5294 let partials: Vec<Array2<f64>> = (0..n)
5295 .into_par_iter()
5296 .chunks(CHUNK)
5297 .map(|idxs| {
5298 let mut local = Array2::<f64>::zeros((b, b));
5299 for i in idxs {
5300 cluster_row_into(i, &sys.rows[i], &mut local);
5301 }
5302 local
5303 })
5304 .collect();
5305 for local in &partials {
5306 s_block += local;
5307 }
5308 } else {
5309 for (row_idx, row) in sys.rows.iter().enumerate() {
5310 cluster_row_into(row_idx, row, &mut s_block);
5311 }
5312 }
5313 s_block
5314}
5315
5316/// Column groups for the bounded co-visibility cluster preconditioner.
5317///
5318/// Builds the weighted co-firing graph over `sys.block_offsets` and returns the
5319/// column sets of its bounded co-visibility partition
5320/// (`BetaCouplingGraph::covisibility_cluster_partition`), each capped at
5321/// [`covisibility_cluster_max_cols`] columns. With no registered block offsets
5322/// there is no block structure to cluster, so the whole `0..k` border is one
5323/// group (identical to the component-partition builders' `block_offsets`-empty
5324/// case). Each group's columns are sorted ascending.
5325pub(crate) fn covisibility_column_groups(sys: &ArrowSchurSystem) -> Vec<Vec<usize>> {
5326 if sys.block_offsets.is_empty() {
5327 return vec![(0..sys.k).collect()];
5328 }
5329 let graph = BetaCouplingGraph::build_from_system(sys);
5330 graph
5331 .covisibility_cluster_partition(&sys.block_offsets, covisibility_cluster_max_cols())
5332 .iter()
5333 .map(|blocks| {
5334 let mut cols: Vec<usize> = blocks
5335 .iter()
5336 .flat_map(|&b| sys.block_offsets[b].clone())
5337 .collect();
5338 cols.sort_unstable();
5339 cols
5340 })
5341 .collect()
5342}
5343
5344/// Dense Schur block per connected component of the beta-coupling graph.
5345///
5346/// Nodes = beta blocks (`block_offsets`); edges = rows where two blocks
5347/// co-occur with nonzero `H_t_beta` entries. One Cholesky factor per
5348/// connected component; applied as a triangular solve.
5349#[derive(Debug, Clone)]
5350pub struct ClusterJacobiPreconditioner {
5351 pub(crate) clusters: Vec<ClusterFactor>,
5352}
5353
5354impl ClusterJacobiPreconditioner {
5355 pub fn from_arrow_schur<B: BatchedBlockSolver + Sync>(
5356 sys: &ArrowSchurSystem,
5357 htt_factors: &ArrowFactorSlab,
5358 ridge_beta: f64,
5359 backend: &B,
5360 ) -> Result<Self, ArrowSchurError> {
5361 if sys.block_offsets.is_empty() {
5362 let cols: Vec<usize> = (0..sys.k).collect();
5363 return Self::build_from_column_groups(sys, htt_factors, ridge_beta, backend, &[cols]);
5364 }
5365 let graph = BetaCouplingGraph::build_from_system(sys);
5366 let col_groups: Vec<Vec<usize>> = graph
5367 .component_partition()
5368 .iter()
5369 .map(|comp_blocks| {
5370 let mut cols: Vec<usize> = comp_blocks
5371 .iter()
5372 .flat_map(|&b| sys.block_offsets[b].clone())
5373 .collect();
5374 cols.sort_unstable();
5375 cols
5376 })
5377 .collect();
5378 Self::build_from_column_groups(sys, htt_factors, ridge_beta, backend, &col_groups)
5379 }
5380
5381 /// Cluster-Jacobi from the bounded CO-VISIBILITY partition (Kushal & Agarwal,
5382 /// CVPR 2012) — the default above the size cap.
5383 ///
5384 /// [`Self::from_arrow_schur`] groups β-blocks by CONNECTED COMPONENT of the
5385 /// co-firing graph. At real over-complete SAE widths that graph is a single
5386 /// giant component (transitive co-firing), so the lone component's column
5387 /// count exceeds [`CLUSTER_JACOBI_MAX_CLUSTER`] and
5388 /// [`Self::build_from_column_groups`] degrades the whole tier to the scalar
5389 /// reciprocal diagonal — the scaling ceiling (cross-atom coupling through
5390 /// co-activating atoms with overlapping ambient subspaces is dropped, and PCG
5391 /// iteration counts blow up). This builder instead partitions the co-firing
5392 /// graph into clusters bounded by [`covisibility_cluster_max_cols`], keeping
5393 /// the strongest co-firing edges inside a cluster, so each cluster's dense
5394 /// Cholesky conditions the strong cross-atom coupling the scalar diagonal
5395 /// misses while staying inside the per-factor memory budget.
5396 ///
5397 /// With no registered `block_offsets` (or a graph that fits the cap in one
5398 /// piece) the partition is a single group and this coincides with
5399 /// [`Self::from_arrow_schur`]. Because the preconditioner only steers the CG
5400 /// iterate over the SAME reduced operator, the solve converges to the SAME
5401 /// reduced-system solution regardless of the partition — REML-neutral.
5402 pub(crate) fn from_arrow_schur_covisibility<B: BatchedBlockSolver + Sync>(
5403 sys: &ArrowSchurSystem,
5404 htt_factors: &ArrowFactorSlab,
5405 ridge_beta: f64,
5406 backend: &B,
5407 ) -> Result<Self, ArrowSchurError> {
5408 let col_groups = covisibility_column_groups(sys);
5409 Self::build_from_column_groups(sys, htt_factors, ridge_beta, backend, &col_groups)
5410 }
5411
5412 pub(crate) fn build_from_column_groups<B: BatchedBlockSolver + Sync>(
5413 sys: &ArrowSchurSystem,
5414 htt_factors: &ArrowFactorSlab,
5415 ridge_beta: f64,
5416 backend: &B,
5417 col_groups: &[Vec<usize>],
5418 ) -> Result<Self, ArrowSchurError> {
5419 let mut clusters = Vec::with_capacity(col_groups.len());
5420 for cols in col_groups {
5421 let b = cols.len();
5422 if b == 0 {
5423 continue;
5424 }
5425 if b > CLUSTER_JACOBI_MAX_CLUSTER {
5426 let inv = build_schur_scalar_inv(sys, htt_factors, ridge_beta, backend, cols)?;
5427 clusters.push(ClusterFactor::Scalar {
5428 cols: cols.clone(),
5429 inv,
5430 });
5431 continue;
5432 }
5433 let mut s_block =
5434 assemble_local_schur_block(sys, htt_factors, ridge_beta, backend, cols);
5435 symmetrize_upper_from_lower(&mut s_block);
5436 let factor_opt = {
5437 use faer::Side;
5438 let view = FaerArrayView::new(&s_block);
5439 FaerLlt::new(view.as_ref(), Side::Lower).ok()
5440 };
5441 if let Some(llt) = factor_opt {
5442 clusters.push(ClusterFactor::Chol {
5443 cols: cols.clone(),
5444 factor: llt,
5445 });
5446 } else {
5447 let inv = build_schur_scalar_inv(sys, htt_factors, ridge_beta, backend, cols)?;
5448 clusters.push(ClusterFactor::Scalar {
5449 cols: cols.clone(),
5450 inv,
5451 });
5452 }
5453 }
5454 Ok(Self { clusters })
5455 }
5456
5457 pub(crate) fn apply(&self, r: &Array1<f64>) -> Array1<f64> {
5458 let mut out = Array1::<f64>::zeros(r.len());
5459 for cluster in &self.clusters {
5460 apply_cluster(cluster, r, &mut out, &ClusterApplyMode::Overwrite);
5461 }
5462 out
5463 }
5464}
5465
5466/// Additive Schwarz: base components expanded by `overlap` graph-hops;
5467/// overlapping columns averaged by partition-of-unity weights.
5468#[derive(Debug, Clone)]
5469pub struct AdditiveSchwarzPreconditioner {
5470 pub(crate) clusters: Vec<ClusterFactor>,
5471 pub(crate) weights: Vec<f64>,
5472}
5473
5474impl AdditiveSchwarzPreconditioner {
5475 pub fn from_arrow_schur<B: BatchedBlockSolver + Sync>(
5476 sys: &ArrowSchurSystem,
5477 htt_factors: &ArrowFactorSlab,
5478 ridge_beta: f64,
5479 backend: &B,
5480 overlap: usize,
5481 ) -> Result<Self, ArrowSchurError> {
5482 if sys.block_offsets.is_empty() {
5483 let cols: Vec<usize> = (0..sys.k).collect();
5484 let inner = ClusterJacobiPreconditioner::build_from_column_groups(
5485 sys,
5486 htt_factors,
5487 ridge_beta,
5488 backend,
5489 &[cols],
5490 )?;
5491 return Ok(Self {
5492 clusters: inner.clusters,
5493 weights: vec![1.0f64; sys.k],
5494 });
5495 }
5496 let graph = BetaCouplingGraph::build_from_system(sys);
5497 let col_groups: Vec<Vec<usize>> = graph
5498 .component_partition()
5499 .iter()
5500 .map(|seed| {
5501 let mut current = seed.clone();
5502 for _ in 0..overlap {
5503 current = graph.expand_one_hop(¤t);
5504 }
5505 let mut cols: Vec<usize> = current
5506 .iter()
5507 .flat_map(|&b| sys.block_offsets[b].clone())
5508 .collect();
5509 cols.sort_unstable();
5510 cols.dedup();
5511 cols
5512 })
5513 .collect();
5514 let mut counts = vec![0u32; sys.k];
5515 for cols in &col_groups {
5516 for &gi in cols {
5517 counts[gi] += 1;
5518 }
5519 }
5520 let weights: Vec<f64> = counts
5521 .iter()
5522 .map(|&c| if c == 0 { 1.0 } else { 1.0 / c as f64 })
5523 .collect();
5524 let inner = ClusterJacobiPreconditioner::build_from_column_groups(
5525 sys,
5526 htt_factors,
5527 ridge_beta,
5528 backend,
5529 &col_groups,
5530 )?;
5531 Ok(Self {
5532 clusters: inner.clusters,
5533 weights,
5534 })
5535 }
5536
5537 pub(crate) fn apply(&self, r: &Array1<f64>) -> Array1<f64> {
5538 let mut out = Array1::<f64>::zeros(r.len());
5539 for cluster in &self.clusters {
5540 apply_cluster(
5541 cluster,
5542 r,
5543 &mut out,
5544 &ClusterApplyMode::Accumulate {
5545 weights: &self.weights,
5546 },
5547 );
5548 }
5549 out
5550 }
5551}
5552
5553/// Diagonal-assembled additive Schwarz (#299).
5554///
5555/// The cheap Schwarz variant the domain-decomposition literature recommends as
5556/// the default for sparse-coupling β-graphs: instead of storing and applying a
5557/// dense Cholesky factor per overlapping subdomain (as
5558/// [`AdditiveSchwarzPreconditioner`] does), it inverts each overlapping
5559/// subdomain Schur block ONCE at build time and keeps only the **diagonal of the
5560/// local inverse** `(A_k⁻¹)_ii`. Those per-subdomain diagonal contributions are
5561/// then assembled additively across overlapping subdomains with partition-of-
5562/// unity weights into a single global diagonal `m`, applied as `out[i] = m[i]·r[i]`.
5563///
5564/// This is strictly richer than scalar Jacobi (`1/S_ii`): the local inverse
5565/// diagonal `(A_k⁻¹)_ii` folds in the off-diagonal coupling WITHIN the subdomain,
5566/// so a strongly-coupled column gets a smaller (better-damped) effective scale
5567/// than its bare reciprocal diagonal would give — while the apply stays `O(K)`
5568/// (one multiply per column), unlike the `O(Σ b_k²)` triangular solves of dense
5569/// Schwarz. For `overlap = 0` and one column per subdomain it reduces exactly to
5570/// scalar Jacobi.
5571#[derive(Debug, Clone)]
5572pub struct DiagAssembledSchwarzPreconditioner {
5573 /// Global per-column multiplier `m[i]`; `out[i] = m[i] · r[i]`.
5574 pub(crate) inv_diag: Vec<f64>,
5575}
5576
5577impl DiagAssembledSchwarzPreconditioner {
5578 pub fn from_arrow_schur<B: BatchedBlockSolver + Sync>(
5579 sys: &ArrowSchurSystem,
5580 htt_factors: &ArrowFactorSlab,
5581 ridge_beta: f64,
5582 backend: &B,
5583 overlap: usize,
5584 ) -> Result<Self, ArrowSchurError> {
5585 // Build the overlapping subdomain column groups exactly like
5586 // AdditiveSchwarz (component partition + `overlap` graph-hop expansion),
5587 // so the two Schwarz variants decompose the β space identically and
5588 // differ only in how each subdomain's local inverse is applied.
5589 let col_groups: Vec<Vec<usize>> = if sys.block_offsets.is_empty() {
5590 vec![(0..sys.k).collect()]
5591 } else {
5592 let graph = BetaCouplingGraph::build_from_system(sys);
5593 graph
5594 .component_partition()
5595 .iter()
5596 .map(|seed| {
5597 let mut current = seed.clone();
5598 for _ in 0..overlap {
5599 current = graph.expand_one_hop(¤t);
5600 }
5601 let mut cols: Vec<usize> = current
5602 .iter()
5603 .flat_map(|&b| sys.block_offsets[b].clone())
5604 .collect();
5605 cols.sort_unstable();
5606 cols.dedup();
5607 cols
5608 })
5609 .collect()
5610 };
5611 Self::build_from_column_groups(sys, htt_factors, ridge_beta, backend, &col_groups)
5612 }
5613
5614 pub(crate) fn build_from_column_groups<B: BatchedBlockSolver + Sync>(
5615 sys: &ArrowSchurSystem,
5616 htt_factors: &ArrowFactorSlab,
5617 ridge_beta: f64,
5618 backend: &B,
5619 col_groups: &[Vec<usize>],
5620 ) -> Result<Self, ArrowSchurError> {
5621 // Partition-of-unity weights: a column shared by `c` subdomains gets each
5622 // of its `c` diagonal contributions scaled by `1/c`, so the assembled
5623 // diagonal is a convex combination (and reduces to a single contribution
5624 // for non-overlapping columns).
5625 let mut counts = vec![0u32; sys.k];
5626 for cols in col_groups {
5627 for &gi in cols {
5628 counts[gi] += 1;
5629 }
5630 }
5631 let mut accum = vec![0.0f64; sys.k];
5632 for cols in col_groups {
5633 let b = cols.len();
5634 if b == 0 {
5635 continue;
5636 }
5637 // For large subdomains, the dense inverse is too costly; fall back to
5638 // the global scalar Schur diagonal inverse `1/S_ii` for those columns
5639 // (the diag-assembled variant then coincides with scalar Jacobi over
5640 // that subdomain, which is exactly the intended cheap degradation).
5641 if b > CLUSTER_JACOBI_MAX_CLUSTER {
5642 let inv = build_schur_scalar_inv(sys, htt_factors, ridge_beta, backend, cols)?;
5643 for (local, &gi) in cols.iter().enumerate() {
5644 let w = if counts[gi] == 0 {
5645 1.0
5646 } else {
5647 1.0 / counts[gi] as f64
5648 };
5649 accum[gi] += w * inv[local];
5650 }
5651 continue;
5652 }
5653 let mut s_block =
5654 assemble_local_schur_block(sys, htt_factors, ridge_beta, backend, cols);
5655 symmetrize_upper_from_lower(&mut s_block);
5656 // Diagonal of the local inverse `(A_k⁻¹)_ii`, obtained by solving
5657 // `A_k X = I` through the same faer Cholesky used elsewhere; on a
5658 // non-PD local block, degrade to the scalar reciprocal diagonal.
5659 let local_inv_diag = match local_inverse_diagonal(&s_block) {
5660 Some(diag) => diag,
5661 None => {
5662 let inv = build_schur_scalar_inv(sys, htt_factors, ridge_beta, backend, cols)?;
5663 inv
5664 }
5665 };
5666 for (local, &gi) in cols.iter().enumerate() {
5667 let w = if counts[gi] == 0 {
5668 1.0
5669 } else {
5670 1.0 / counts[gi] as f64
5671 };
5672 accum[gi] += w * local_inv_diag[local];
5673 }
5674 }
5675 // A column never covered by any subdomain (only possible for `k` columns
5676 // with no block_offsets coverage) keeps a neutral unit scale.
5677 for (gi, &c) in counts.iter().enumerate() {
5678 if c == 0 {
5679 accum[gi] = 1.0;
5680 }
5681 }
5682 for (gi, m) in accum.iter().enumerate() {
5683 if !m.is_finite() || *m <= 0.0 {
5684 return Err(ArrowSchurError::PcgFailed {
5685 reason: format!(
5686 "diag-assembled Schwarz: non-positive assembled diagonal at index {gi}: {m}"
5687 ),
5688 });
5689 }
5690 }
5691 Ok(Self { inv_diag: accum })
5692 }
5693
5694 pub(crate) fn apply(&self, r: &Array1<f64>) -> Array1<f64> {
5695 let mut out = Array1::<f64>::zeros(r.len());
5696 for (gi, &m) in self.inv_diag.iter().enumerate() {
5697 out[gi] = m * r[gi];
5698 }
5699 out
5700 }
5701}
5702
5703/// Diagonal of `A⁻¹` for a small dense SPD block `A`, via the same faer
5704/// Cholesky used by the cluster/Schwarz factors. Returns `None` if `A` is not
5705/// positive-definite (caller degrades to the scalar reciprocal diagonal).
5706pub(crate) fn local_inverse_diagonal(a: &Array2<f64>) -> Option<Vec<f64>> {
5707 let b = a.nrows();
5708 let llt = {
5709 use faer::Side;
5710 let view = FaerArrayView::new(a);
5711 FaerLlt::new(view.as_ref(), Side::Lower).ok()?
5712 };
5713 use faer::linalg::solvers::Solve;
5714 let mut diag = Vec::with_capacity(b);
5715 for col in 0..b {
5716 // Solve `A x = e_col`; the `col`-th entry of `x` is `(A⁻¹)_{col,col}`.
5717 let mut rhs = Array1::<f64>::zeros(b);
5718 rhs[col] = 1.0;
5719 let stride = rhs.strides()[0];
5720 let len = rhs.len();
5721 // SAFETY: `rhs` is a uniquely-borrowed contiguous `Array1<f64>` of `len`
5722 // elements with positive row stride; a single column never dereferences
5723 // the column stride, so `0` is sound.
5724 let rhs_mat = unsafe { faer::MatRef::from_raw_parts(rhs.as_ptr(), len, 1, stride, 0) };
5725 let solved = llt.solve(rhs_mat);
5726 diag.push(solved[(col, 0)]);
5727 }
5728 Some(diag)
5729}
5730
5731/// How a cluster factor's contribution is written into the output vector.
5732///
5733/// `Overwrite` assigns `out[gi] = value` (non-overlapping clusters, each global
5734/// column touched by exactly one cluster). `Accumulate` adds the partition-of-unity
5735/// weighted contribution `out[gi] += weights[gi] * value` (overlapping Schwarz
5736/// clusters, where a column may belong to several clusters).
5737pub(crate) enum ClusterApplyMode<'w> {
5738 Overwrite,
5739 Accumulate { weights: &'w [f64] },
5740}
5741
5742impl ClusterApplyMode<'_> {
5743 #[inline]
5744 pub(crate) fn write(&self, out: &mut Array1<f64>, gi: usize, value: f64) {
5745 match self {
5746 ClusterApplyMode::Overwrite => out[gi] = value,
5747 ClusterApplyMode::Accumulate { weights } => out[gi] += weights[gi] * value,
5748 }
5749 }
5750}
5751
5752/// Apply a single cluster factor to the residual `r`, writing into `out`
5753/// according to `mode` (overwrite for non-overlapping clusters, weighted
5754/// accumulate for overlapping Schwarz clusters).
5755pub(crate) fn apply_cluster(
5756 cluster: &ClusterFactor,
5757 r: &Array1<f64>,
5758 out: &mut Array1<f64>,
5759 mode: &ClusterApplyMode<'_>,
5760) {
5761 match cluster {
5762 ClusterFactor::Scalar { cols, inv } => {
5763 for (local, &gi) in cols.iter().enumerate() {
5764 mode.write(out, gi, inv[local] * r[gi]);
5765 }
5766 }
5767 ClusterFactor::Chol { cols, factor } => {
5768 let b = cols.len();
5769 let mut rhs = Array1::<f64>::zeros(b);
5770 for (local, &gi) in cols.iter().enumerate() {
5771 rhs[local] = r[gi];
5772 }
5773 use faer::linalg::solvers::Solve;
5774 let stride = rhs.strides()[0];
5775 let len = rhs.len();
5776 // SAFETY: rhs is uniquely-borrowed contiguous Array1 with positive stride.
5777 let rhs_mat = unsafe { faer::MatRef::from_raw_parts(rhs.as_ptr(), len, 1, stride, 0) };
5778 let solved = factor.solve(rhs_mat);
5779 for (local, &gi) in cols.iter().enumerate() {
5780 mode.write(out, gi, solved[(local, 0)]);
5781 }
5782 }
5783 }
5784}
5785
5786/// One connected-component factor of the block IC(0) preconditioner.
5787///
5788/// `IncompleteChol` holds a sparse lower-triangular `L̃` in column-compressed
5789/// form over the component's local indices: `col_ptr[j]..col_ptr[j+1]` indexes
5790/// into `(row_idx, val)` for column `j` (rows `>= j`, diagonal first). `cols`
5791/// maps a local index back to its global β column. `Scalar` is the non-PD /
5792/// oversized degradation, identical in meaning to [`ClusterFactor::Scalar`].
5793#[derive(Clone)]
5794pub(crate) enum Ic0Factor {
5795 IncompleteChol {
5796 cols: Vec<usize>,
5797 col_ptr: Vec<usize>,
5798 row_idx: Vec<usize>,
5799 val: Vec<f64>,
5800 },
5801 Scalar {
5802 cols: Vec<usize>,
5803 inv: Vec<f64>,
5804 },
5805}
5806
5807impl std::fmt::Debug for Ic0Factor {
5808 fn fmt(&self, f: &mut std::fmt::Formatter<'_>) -> std::fmt::Result {
5809 match self {
5810 Ic0Factor::IncompleteChol { cols, val, .. } => write!(
5811 f,
5812 "Ic0Factor::IncompleteChol {{ cols.len: {}, nnz: {} }}",
5813 cols.len(),
5814 val.len()
5815 ),
5816 Ic0Factor::Scalar { cols, .. } => {
5817 write!(f, "Ic0Factor::Scalar {{ cols.len: {} }}", cols.len())
5818 }
5819 }
5820 }
5821}
5822
5823/// Level-0 incomplete-Cholesky Schur preconditioner (#299).
5824///
5825/// One sparse incomplete-Cholesky factor per connected component of the
5826/// β-coupling graph. Within a component the dense `S[C,C]` is assembled, its
5827/// structural-nonzero pattern `P = { (i,j) : |S_ij| > drop·sqrt(S_ii S_jj) }`
5828/// is taken as the level-0 fill set, and the no-fill incomplete Cholesky
5829/// `S ≈ L̃ L̃ᵀ` is formed keeping only `P` (drop any update landing outside it).
5830/// See [`SchurPreconditionerKind::BlockIncompleteCholesky`].
5831#[derive(Debug, Clone)]
5832pub struct BlockIncompleteCholeskyPreconditioner {
5833 pub(crate) components: Vec<Ic0Factor>,
5834}
5835
5836impl BlockIncompleteCholeskyPreconditioner {
5837 pub fn from_arrow_schur<B: BatchedBlockSolver + Sync>(
5838 sys: &ArrowSchurSystem,
5839 htt_factors: &ArrowFactorSlab,
5840 ridge_beta: f64,
5841 backend: &B,
5842 ) -> Result<Self, ArrowSchurError> {
5843 // Column grouping mirrors ClusterJacobi: one group per connected
5844 // component of the β-coupling graph (whole-K single group when no
5845 // block_offsets are registered), so IC(0) preconditions exactly the
5846 // coupling ClusterJacobi keeps, but with a sparse (no-fill) factor.
5847 let col_groups: Vec<Vec<usize>> = if sys.block_offsets.is_empty() {
5848 vec![(0..sys.k).collect()]
5849 } else {
5850 let graph = BetaCouplingGraph::build_from_system(sys);
5851 graph
5852 .component_partition()
5853 .iter()
5854 .map(|comp| {
5855 let mut cols: Vec<usize> = comp
5856 .iter()
5857 .flat_map(|&blk| sys.block_offsets[blk].clone())
5858 .collect();
5859 cols.sort_unstable();
5860 cols.dedup();
5861 cols
5862 })
5863 .collect()
5864 };
5865
5866 let mut components = Vec::with_capacity(col_groups.len());
5867 for cols in &col_groups {
5868 let b = cols.len();
5869 if b == 0 {
5870 continue;
5871 }
5872 if b > IC0_MAX_COMPONENT {
5873 let inv = build_schur_scalar_inv(sys, htt_factors, ridge_beta, backend, cols)?;
5874 components.push(Ic0Factor::Scalar {
5875 cols: cols.clone(),
5876 inv,
5877 });
5878 continue;
5879 }
5880 let mut s_block =
5881 assemble_local_schur_block(sys, htt_factors, ridge_beta, backend, cols);
5882 symmetrize_upper_from_lower(&mut s_block);
5883 match incomplete_cholesky_level0(&s_block) {
5884 Some((col_ptr, row_idx, val)) => components.push(Ic0Factor::IncompleteChol {
5885 cols: cols.clone(),
5886 col_ptr,
5887 row_idx,
5888 val,
5889 }),
5890 None => {
5891 // Non-PD incomplete pivot: degrade this component to the
5892 // scalar reciprocal diagonal (mirrors the ClusterJacobi
5893 // non-PD fallback), which is always applicable for a
5894 // PD-floored Schur diagonal.
5895 let inv = build_schur_scalar_inv(sys, htt_factors, ridge_beta, backend, cols)?;
5896 components.push(Ic0Factor::Scalar {
5897 cols: cols.clone(),
5898 inv,
5899 });
5900 }
5901 }
5902 }
5903 Ok(Self { components })
5904 }
5905
5906 pub(crate) fn apply(&self, r: &Array1<f64>) -> Array1<f64> {
5907 let mut out = Array1::<f64>::zeros(r.len());
5908 for comp in &self.components {
5909 match comp {
5910 Ic0Factor::Scalar { cols, inv } => {
5911 for (local, &gi) in cols.iter().enumerate() {
5912 out[gi] = inv[local] * r[gi];
5913 }
5914 }
5915 Ic0Factor::IncompleteChol {
5916 cols,
5917 col_ptr,
5918 row_idx,
5919 val,
5920 } => {
5921 let b = cols.len();
5922 // Gather the local residual, solve `L̃ L̃ᵀ z = r_local` by a
5923 // sparse forward solve (`L̃ y = r`) then a sparse back solve
5924 // (`L̃ᵀ z = y`), then scatter `z` back to global columns.
5925 let mut z = vec![0.0f64; b];
5926 for (local, &gi) in cols.iter().enumerate() {
5927 z[local] = r[gi];
5928 }
5929 // Forward solve `L̃ y = r` (overwrite z with y). Column-major
5930 // CSC: row_idx[col_ptr[j]] == j (diagonal stored first).
5931 for j in 0..b {
5932 let dstart = col_ptr[j];
5933 let diag = val[dstart];
5934 z[j] /= diag;
5935 let yj = z[j];
5936 for k in (dstart + 1)..col_ptr[j + 1] {
5937 z[row_idx[k]] -= val[k] * yj;
5938 }
5939 }
5940 // Back solve `L̃ᵀ z = y` (overwrite z). Walk columns in
5941 // reverse; the below-diagonal entries of column j are the
5942 // off-diagonal entries of row j of L̃ᵀ.
5943 for j in (0..b).rev() {
5944 let dstart = col_ptr[j];
5945 let mut acc = z[j];
5946 for k in (dstart + 1)..col_ptr[j + 1] {
5947 acc -= val[k] * z[row_idx[k]];
5948 }
5949 z[j] = acc / val[dstart];
5950 }
5951 for (local, &gi) in cols.iter().enumerate() {
5952 out[gi] = z[local];
5953 }
5954 }
5955 }
5956 }
5957 out
5958 }
5959}
5960
5961/// Level-0 incomplete Cholesky of a dense SPD-ish block `a` (`b×b`, symmetric).
5962///
5963/// Returns the lower factor `L̃` in column-compressed (CSC) form
5964/// `(col_ptr, row_idx, val)` where each column lists its diagonal entry FIRST
5965/// followed by the strictly-below-diagonal entries, in increasing row order.
5966/// The kept pattern is the level-0 set `P` = structural nonzeros of `a` (a
5967/// relative drop threshold prunes round-off). IC(0) computes the standard
5968/// Cholesky recurrence but DROPS any value at a position outside `P`, so the
5969/// factor has exactly `nnz(tril(P))` entries — no fill. Returns `None` on a
5970/// non-positive pivot (caller degrades to scalar diagonal).
5971///
5972/// Reference: Y. Saad, *Iterative Methods for Sparse Linear Systems*, 2nd ed.,
5973/// §10.3.2 (IC(0)). This is the left-looking, pattern-restricted variant.
5974pub(crate) fn incomplete_cholesky_level0(
5975 a: &Array2<f64>,
5976) -> Option<(Vec<usize>, Vec<usize>, Vec<f64>)> {
5977 let b = a.nrows();
5978 assert_eq!(a.ncols(), b, "incomplete Cholesky needs a square block");
5979
5980 // ---- derive the level-0 lower-triangular pattern from `a` --------------
5981 // Per column j, the kept below-or-on-diagonal rows i>=j with a structurally
5982 // nonzero a[i,j]. The diagonal is always kept.
5983 let mut col_ptr = vec![0usize; b + 1];
5984 let mut row_idx: Vec<usize> = Vec::new();
5985 // value buffer, parallel to row_idx, initialised from tril(a) on the pattern
5986 let mut val: Vec<f64> = Vec::new();
5987 // For O(1) "is (i,j) in pattern + where" lookups during the recurrence, keep
5988 // a per-column map from global row -> position in that column's value slice.
5989 let mut col_pos: Vec<std::collections::HashMap<usize, usize>> = Vec::with_capacity(b);
5990 for j in 0..b {
5991 let ajj = a[[j, j]];
5992 let scale_j = ajj.abs().max(0.0).sqrt();
5993 let mut map = std::collections::HashMap::new();
5994 // diagonal first
5995 map.insert(j, val.len());
5996 row_idx.push(j);
5997 val.push(ajj);
5998 for i in (j + 1)..b {
5999 let aij = a[[i, j]];
6000 let scale_i = a[[i, i]].abs().sqrt();
6001 let thresh = IC0_PATTERN_REL_DROP * scale_i * scale_j;
6002 if aij.abs() > thresh {
6003 map.insert(i, val.len());
6004 row_idx.push(i);
6005 val.push(aij);
6006 }
6007 }
6008 col_pos.push(map);
6009 col_ptr[j + 1] = val.len();
6010 }
6011
6012 // ---- IC(0) recurrence, left-looking over columns -----------------------
6013 // For column j: subtract the contributions of all prior columns k<j that
6014 // have BOTH a nonzero at row j (so they touch the diagonal/the column) — the
6015 // multiplier L[j,k] — and a nonzero at the rows i of column j's pattern.
6016 // Any update whose target (i,j) is OUTSIDE the kept pattern is dropped.
6017 for j in 0..b {
6018 // Diagonal: a[j,j] - Σ_{k<j} L[j,k]². Each prior column k<j contributes
6019 // its row-j entry L[j,k] (looked up by row, so the column index is not
6020 // needed); columns without a row-j entry contribute nothing.
6021 let dpos = col_ptr[j];
6022 let mut diag = val[dpos];
6023 for mapk in &col_pos[..j] {
6024 if let Some(&pjk) = mapk.get(&j) {
6025 let ljk = val[pjk];
6026 diag -= ljk * ljk;
6027 }
6028 }
6029 if !diag.is_finite() || diag <= JACOBI_DIAGONAL_PD_FLOOR {
6030 return None;
6031 }
6032 let ljj = diag.sqrt();
6033 val[dpos] = ljj;
6034 // Below-diagonal of column j: L[i,j] = (a[i,j] - Σ_{k<j} L[i,k] L[j,k]) / L[j,j]
6035 for p in (dpos + 1)..col_ptr[j + 1] {
6036 let i = row_idx[p];
6037 let mut s = val[p];
6038 for mapk in &col_pos[..j] {
6039 if let (Some(&pik), Some(&pjk)) = (mapk.get(&i), mapk.get(&j)) {
6040 s -= val[pik] * val[pjk];
6041 }
6042 }
6043 val[p] = s / ljj;
6044 }
6045 }
6046 Some((col_ptr, row_idx, val))
6047}
6048
6049/// One row of the #299 preconditioner-ladder iteration study: the converged
6050/// PCG iteration count and stop reason for a single preconditioner tier.
6051#[derive(Debug, Clone, Copy)]
6052pub struct PrecondLadderRow {
6053 /// PCG iterations to convergence (or to the `MaxIter` cutoff).
6054 pub iterations: usize,
6055 /// Whether the PCG converged (vs hit `MaxIter` / negative curvature).
6056 pub converged: bool,
6057 /// Final relative residual reported by the PCG.
6058 pub final_relative_residual: f64,
6059}
6060
6061/// Build scalar diagonal inverses for a set of global column indices.
6062///
6063/// Used when a cluster is non-PD or exceeds `CLUSTER_JACOBI_MAX_CLUSTER`.
6064pub(crate) fn build_schur_scalar_inv<B: BatchedBlockSolver>(
6065 sys: &ArrowSchurSystem,
6066 htt_factors: &ArrowFactorSlab,
6067 ridge_beta: f64,
6068 backend: &B,
6069 cols: &[usize],
6070) -> Result<Vec<f64>, ArrowSchurError> {
6071 let mut result = Vec::with_capacity(cols.len());
6072 // Extract the penalty diagonal for all K columns once, then index per-column.
6073 let mut full_diag = Array1::<f64>::zeros(sys.k);
6074 {
6075 let diag_slice = full_diag.as_slice_mut().expect("full_diag contiguous");
6076 sys.penalty_diagonal_add(diag_slice);
6077 }
6078 // Probe each needed column through the ROUTED `H_tβ` convention at each
6079 // row's own width (see `assemble_local_schur_block` for why a raw
6080 // `row.htbeta` read at the global `sys.d` is wrong here).
6081 let mut e_g = Array1::<f64>::zeros(sys.k);
6082 for &gi in cols {
6083 let mut s = full_diag[gi] + ridge_beta;
6084 e_g[gi] = 1.0;
6085 for (row_idx, row) in sys.rows.iter().enumerate() {
6086 let di = sys.row_dims[row_idx];
6087 let mut col_vec = Array1::<f64>::zeros(di);
6088 sys_htbeta_apply_row(sys, row_idx, row, e_g.view(), &mut col_vec);
6089 let solved = backend.solve_block_vector(htt_factors.factor(row_idx), col_vec.view());
6090 let mut acc = 0.0;
6091 for c in 0..di {
6092 acc += col_vec[c] * solved[c];
6093 }
6094 s -= acc;
6095 }
6096 e_g[gi] = 0.0;
6097 if !s.is_finite() || s <= JACOBI_DIAGONAL_PD_FLOOR {
6098 return Err(ArrowSchurError::PcgFailed {
6099 reason: format!(
6100 "cluster Schur scalar fallback: non-PD diagonal at index {gi}: {s}"
6101 ),
6102 });
6103 }
6104 result.push(1.0 / s);
6105 }
6106 Ok(result)
6107}
6108
6109/// Inexact PCG with automatic preconditioner-ladder escalation.
6110///
6111/// Starts with `JacobiPreconditioner` (Diagonal or BetaBlockJacobi).
6112/// If PCG hits `MaxIter` and `k > PRECOND_ESCALATE_K_THRESHOLD`,
6113/// escalates to `ClusterJacobi`; if still `MaxIter`, escalates to
6114/// `AdditiveSchwarz { overlap: 1 }`.
6115pub(crate) fn steihaug_pcg_auto<B: BatchedBlockSolver + Sync>(
6116 sys: &ArrowSchurSystem,
6117 htt_factors: &ArrowFactorSlab,
6118 ridge_beta: f64,
6119 rhs: &Array1<f64>,
6120 pcg: &ArrowPcgOptions,
6121 trust: &ArrowTrustRegionOptions,
6122 backend: &B,
6123 gpu_matvec: Option<&GpuSchurMatvec>,
6124 metric_weights: Option<&MetricWeights>,
6125 curvature_floor: Option<f64>,
6126) -> Result<(Array1<f64>, ArrowPcgDiagnostics), ArrowSchurError> {
6127 // #1017 CPU residency: stage the per-row reduced-Schur factors `(L_i, Y_i)`
6128 // (NOT the dense `p×p` block — `di ≪ p`, so the factored form is `O(n·di·p)`
6129 // memory and `2·support_i·p + 2·di·p` flops/row including the sparse
6130 // gather/scatter over the active support) once, up
6131 // front, when the SAE structure is installed and the matvec runs on host
6132 // (CPU). The GPU matvec carries its own residency, so skip when it is engaged.
6133 // The same staged operator is reused across the whole preconditioner ladder
6134 // (Jacobi → ClusterJacobi → AdditiveSchwarz) — built once, not per tier.
6135 let resident = if gpu_matvec.is_none() {
6136 SaeResidentReducedSchur::build(sys, htt_factors, backend)
6137 } else {
6138 None
6139 };
6140 // #2228 — a β-gauge-quotiented system has a reduced Schur that is singular
6141 // along the gauge orbit, and every preconditioner in the ladder below
6142 // (block-Jacobi, cluster, Schwarz, IC(0)) is formed from the UN-pinned
6143 // operator, so it would misprice — or refuse as non-PD — that orbit
6144 // direction. The matvec now applies the Faddeev–Popov pin `P S P + Q Qᵀ`,
6145 // which is SPD and well-conditioned on the identifiable complement (the gauge
6146 // dimension is tiny — one direction per circle/torus phase), so an identity
6147 // preconditioner converges without a bespoke pinned diagonal. Route straight
6148 // through it and skip the diagonal ladder, whose preconditioners assume the
6149 // un-pinned Schur; the `None`-quotient path below is byte-identical.
6150 if sys.beta_gauge_quotient.is_some() {
6151 let identity = IdentityPreconditioner;
6152 let (step, diag) = run_pcg_with_preconditioner(
6153 sys,
6154 htt_factors,
6155 ridge_beta,
6156 rhs,
6157 |r| identity.apply(r),
6158 pcg,
6159 trust,
6160 backend,
6161 gpu_matvec,
6162 metric_weights,
6163 resident.as_ref(),
6164 )?;
6165 // Mirror the non-gauge contract: below the escalation threshold a MaxIter
6166 // stop is accepted (the ladder returns it as `Ok`); above it the ladder
6167 // would escalate the preconditioner, but the cluster/Schwarz/IC(0) tiers
6168 // assume the un-pinned Schur and cannot precondition the gauge pin, so
6169 // surface a recoverable failure and let the outer LM loop escalate the
6170 // ridge instead (a bespoke pinned-diagonal preconditioner is the follow-up).
6171 if diag.stopping_reason == PcgStopReason::MaxIter
6172 && sys.k > PRECOND_ESCALATE_K_THRESHOLD
6173 {
6174 return Err(ArrowSchurError::PcgFailed {
6175 reason: format!(
6176 "gauge-pinned Schur PCG (identity preconditioner) exhausted its \
6177 iteration budget without converging; final relative residual = {:e}",
6178 diag.final_relative_residual
6179 ),
6180 });
6181 }
6182 return Ok((step, diag));
6183 }
6184 // #1026 — curvature-floor retry on the Jacobi tier. The unbounded SAE inner
6185 // PCG (trust radius = ∞) fails on `pᵀSp ≤ 0` when the reduced Schur is
6186 // indefinite (K≥4 co-collapse: a near-singular per-row `H_tt` over-subtracts
6187 // `S`). Instead of letting that failure propagate to the outer LM loop —
6188 // which inflates `ridge_β` over EVERY β direction and makes the inner Newton
6189 // crawl — floor the OPERATOR by the minimal ridge `δ = |pᵀSp|/‖p‖² · (1+ε)`
6190 // that restores positive curvature along the offending direction, rebuild the
6191 // Jacobi preconditioner at the lifted ridge, and retry. This is the
6192 // matrix-free analogue of the dense `spectral_pd_floored_schur`: the healthy
6193 // β subspace (where curvature is already positive) is essentially untouched
6194 // by a tiny `δ`, while the collapsed direction gets exactly the stiffness it
6195 // needs to make a real descent step. A PD reduced Schur never hits `pᵀSp ≤ 0`,
6196 // so this loop is a strict no-op there (bit-for-bit unchanged). Bounded by a
6197 // small attempt cap and a relative ridge ceiling; on exhaustion the original
6198 // recoverable failure still reaches the outer LM loop.
6199 let mut effective_ridge = ridge_beta;
6200 let mut x0_diag0: Option<(Array1<f64>, ArrowPcgDiagnostics)> = None;
6201 let mut last_curvature_err: Option<ArrowSchurError> = None;
6202 let rhs_scale = metric_norm(rhs.view(), metric_weights).max(1.0);
6203 let ridge_ceiling = ridge_beta.max(SCHUR_CURVATURE_FLOOR_REL_CEILING * rhs_scale);
6204 for _attempt in 0..=SCHUR_CURVATURE_FLOOR_MAX_ATTEMPTS {
6205 // The Jacobi preconditioner build itself refuses a non-PD Schur diagonal
6206 // (`PcgFailed: invalid Schur Jacobi diagonal`) — the SAME co-collapse
6207 // signature reached BEFORE the CG loop, since `S_ii = H_ββ,ii − Σ …` goes
6208 // negative. Treat that build failure as a curvature deficit too: when the
6209 // floor is enabled, lift the ridge and retry; otherwise propagate.
6210 let jacobi = match JacobiPreconditioner::from_arrow_schur(
6211 sys,
6212 htt_factors,
6213 effective_ridge,
6214 backend,
6215 resident.as_ref(),
6216 ) {
6217 Ok(jacobi) => jacobi,
6218 Err(err @ ArrowSchurError::PcgFailed { .. }) => {
6219 if curvature_floor.is_none() {
6220 return Err(err);
6221 }
6222 // A diagonal refusal carries no `(curvature, ‖p‖²)` deficit, and
6223 // the over-subtraction magnitude `Σ H_tβᵀ(H_tt)⁻¹H_tβ` is
6224 // unbounded relative to `rhs_scale`, so a small additive bump
6225 // would crawl. Escalate the ridge MULTIPLICATIVELY (×10, matching
6226 // the per-row `factor_one_row_result` RIDGE_GROWTH_FACTOR), seeded
6227 // at `rhs_scale`, so even a large deficit (the collapsed
6228 // `(H_tβ)²/H_tt` over-subtraction) is reached in a handful of
6229 // attempts. The ceiling + attempt cap still bound it; on
6230 // exhaustion the recoverable failure reaches the outer LM loop.
6231 // Jump straight to a meaningful scale on the FIRST refusal rather
6232 // than crawling ×10 from a tiny `ridge_beta`: each rebuild is a full
6233 // block-Jacobi factorization (the massive-K preconditioner hotspot),
6234 // and a large collapsed deficit (`Σ H_tβᵀ(H_tt)⁻¹H_tβ` over-subtraction,
6235 // O(1)-scale) otherwise costs ~log10(deficit / ridge_beta) rebuilds.
6236 // Seeding the first bump at `rhs_scale` covers it in one or two, then
6237 // escalates multiplicatively; the ceiling + attempt cap still bound it.
6238 let next = if effective_ridge > 0.0 {
6239 (effective_ridge * SCHUR_CURVATURE_FLOOR_DIAG_GROWTH).max(rhs_scale)
6240 } else {
6241 rhs_scale
6242 };
6243 last_curvature_err = Some(err);
6244 if !next.is_finite() || next > ridge_ceiling {
6245 break;
6246 }
6247 effective_ridge = next;
6248 continue;
6249 }
6250 Err(other) => return Err(other),
6251 };
6252 match run_pcg_with_preconditioner(
6253 sys,
6254 htt_factors,
6255 effective_ridge,
6256 rhs,
6257 |r| jacobi.apply(r),
6258 pcg,
6259 trust,
6260 backend,
6261 gpu_matvec,
6262 metric_weights,
6263 resident.as_ref(),
6264 ) {
6265 Ok(result) => {
6266 x0_diag0 = Some(result);
6267 break;
6268 }
6269 Err(ArrowSchurError::UnboundedNegativeCurvature {
6270 curvature,
6271 direction_norm_sq,
6272 }) => {
6273 // Only floor when the caller opted in (SAE solve path); otherwise
6274 // propagate the raw negative-curvature signal so BA / non-SAE
6275 // unbounded solves keep their existing failure contract.
6276 let Some(relative_floor) = curvature_floor else {
6277 return Err(ArrowSchurError::UnboundedNegativeCurvature {
6278 curvature,
6279 direction_norm_sq,
6280 });
6281 };
6282 // Minimal ridge to make `pᵀ(S+δI)p = |curvature| + δ·‖p‖² > 0`,
6283 // with a margin so the next CG iterate has strictly positive
6284 // curvature rather than sitting on the `0` knife-edge.
6285 let deficit = if direction_norm_sq > 0.0 {
6286 curvature.abs() / direction_norm_sq
6287 } else {
6288 0.0
6289 };
6290 let bump = (deficit * (1.0 + SCHUR_CURVATURE_FLOOR_MARGIN))
6291 .max(relative_floor.max(SCHUR_CURVATURE_FLOOR_REL_FLOOR) * rhs_scale);
6292 let next = (effective_ridge + bump).max(effective_ridge * 2.0);
6293 last_curvature_err = Some(ArrowSchurError::UnboundedNegativeCurvature {
6294 curvature,
6295 direction_norm_sq,
6296 });
6297 if !next.is_finite() || next > ridge_ceiling {
6298 break;
6299 }
6300 effective_ridge = next;
6301 }
6302 Err(other) => return Err(other),
6303 }
6304 }
6305 let (x0, diag0) = match x0_diag0 {
6306 Some(result) => result,
6307 None => {
6308 // The curvature floor could not condition the operator within the
6309 // ceiling; hand the recoverable failure to the outer LM loop, which
6310 // re-forms the system at a heavier ridge.
6311 return Err(last_curvature_err.unwrap_or(ArrowSchurError::PcgFailed {
6312 reason: "unbounded Schur PCG negative curvature unresolved by curvature floor"
6313 .to_string(),
6314 }));
6315 }
6316 };
6317 if sys.k <= PRECOND_ESCALATE_K_THRESHOLD || diag0.stopping_reason != PcgStopReason::MaxIter {
6318 return Ok((x0, diag0));
6319 }
6320 // Escalation tiers reuse the curvature-floored `effective_ridge` so the
6321 // operator they precondition is the SAME (PD-floored) one the Jacobi tier
6322 // settled on; a still-negative-curvature signal here is handed to the outer
6323 // LM loop (it only arises if the floored Jacobi tier merely ran out of
6324 // iterations yet a coarser preconditioner still finds an indefinite
6325 // direction — rare; the LM loop re-forms at a heavier ridge).
6326 // Default cluster tier: the bounded CO-VISIBILITY partition, not the
6327 // connected-component partition. At the SAE widths this ladder targets the
6328 // co-firing graph is one giant component, so the component partition exceeds
6329 // the size cap and `from_arrow_schur` degrades to scalar Jacobi (the ceiling
6330 // this tier exists to lift). `from_arrow_schur_covisibility` splits that
6331 // component into bounded strongly-co-firing clusters whose dense factors
6332 // condition the cross-atom coupling scalar Jacobi drops. The component
6333 // partition stays selectable via `from_arrow_schur` (used by the ladder
6334 // study and its regression gates). Both precondition the SAME operator, so
6335 // the converged step — and the REML optimum — is unchanged.
6336 let cluster = ClusterJacobiPreconditioner::from_arrow_schur_covisibility(
6337 sys,
6338 htt_factors,
6339 effective_ridge,
6340 backend,
6341 )?;
6342 let (x1, diag1) = run_pcg_with_preconditioner(
6343 sys,
6344 htt_factors,
6345 effective_ridge,
6346 rhs,
6347 |r| cluster.apply(r),
6348 pcg,
6349 trust,
6350 backend,
6351 gpu_matvec,
6352 metric_weights,
6353 resident.as_ref(),
6354 )?;
6355 if diag1.stopping_reason != PcgStopReason::MaxIter {
6356 return Ok((x1, diag1));
6357 }
6358 let schwarz = AdditiveSchwarzPreconditioner::from_arrow_schur(
6359 sys,
6360 htt_factors,
6361 effective_ridge,
6362 backend,
6363 1,
6364 )?;
6365 let (x2, diag2) = run_pcg_with_preconditioner(
6366 sys,
6367 htt_factors,
6368 effective_ridge,
6369 rhs,
6370 |r| schwarz.apply(r),
6371 pcg,
6372 trust,
6373 backend,
6374 gpu_matvec,
6375 metric_weights,
6376 resident.as_ref(),
6377 )?;
6378 if diag2.stopping_reason != PcgStopReason::MaxIter {
6379 return Ok((x2, diag2));
6380 }
6381 // Final tier — diagonal-assembled additive Schwarz (#299), the cheap-apply
6382 // Schwarz variant. When the dense-block AdditiveSchwarz still ran out of
6383 // iterations its O(Σ b_k²) apply may have throttled the iteration budget on
6384 // a wide subdomain; the diag-assembled variant keeps Schwarz's overlapping
6385 // local-inverse conditioning but applies in O(K), so it can take more CG
6386 // iterations within the same wall budget. Same overlap (1) and same
6387 // curvature-floored ridge as the dense-block tier.
6388 let diag_schwarz = DiagAssembledSchwarzPreconditioner::from_arrow_schur(
6389 sys,
6390 htt_factors,
6391 effective_ridge,
6392 backend,
6393 1,
6394 )?;
6395 let (x3, diag3) = run_pcg_with_preconditioner(
6396 sys,
6397 htt_factors,
6398 effective_ridge,
6399 rhs,
6400 |r| diag_schwarz.apply(r),
6401 pcg,
6402 trust,
6403 backend,
6404 gpu_matvec,
6405 metric_weights,
6406 resident.as_ref(),
6407 )?;
6408 if diag3.stopping_reason != PcgStopReason::MaxIter {
6409 return Ok((x3, diag3));
6410 }
6411 // Richest tier — level-0 incomplete Cholesky (#299). ClusterJacobi keeps the
6412 // full DENSE Cholesky of each component (so on a single large connected
6413 // component it fills the whole `b×b` factor and its `O(b²)` apply throttles
6414 // the CG iteration budget), while the diagonal/Schwarz tiers drop most
6415 // inter-block coupling. IC(0) keeps the component's full structural coupling
6416 // but only the level-0 (no-fill) pattern, so its sparse triangular apply is
6417 // `O(nnz(S[C,C]))` — it can take more CG iterations within the same wall
6418 // budget AND conditions the off-diagonal coupling the cheap tiers discard.
6419 // Last in the ladder so it is only paid when every cheaper tier stalled.
6420 let ic0 = BlockIncompleteCholeskyPreconditioner::from_arrow_schur(
6421 sys,
6422 htt_factors,
6423 effective_ridge,
6424 backend,
6425 )?;
6426 let (x4, diag4) = run_pcg_with_preconditioner(
6427 sys,
6428 htt_factors,
6429 effective_ridge,
6430 rhs,
6431 |r| ic0.apply(r),
6432 pcg,
6433 trust,
6434 backend,
6435 gpu_matvec,
6436 metric_weights,
6437 resident.as_ref(),
6438 )?;
6439 // All five preconditioner tiers (Jacobi -> ClusterJacobi -> AdditiveSchwarz
6440 // -> DiagAssembledSchwarz -> BlockIncompleteCholesky) exhausted their
6441 // iteration budget without driving the residual below tolerance. Returning a
6442 // truncated iterate as `Ok` would feed an arbitrarily-large-residual step
6443 // into the Newton driver, where the PCG diagnostics are discarded. Surface a
6444 // recoverable failure instead so `solve_with_lm_escalation_inner` escalates
6445 // the proximal ridge: better conditioning is precisely what a stalled PCG on
6446 // an ill-conditioned reduced system needs.
6447 if diag4.stopping_reason == PcgStopReason::MaxIter {
6448 return Err(ArrowSchurError::PcgFailed {
6449 reason: format!(
6450 "Schur PCG exhausted all preconditioner tiers (Jacobi, ClusterJacobi, \
6451 AdditiveSchwarz, DiagAssembledSchwarz, BlockIncompleteCholesky) at MaxIter; \
6452 final relative residual = {:e}",
6453 diag4.final_relative_residual
6454 ),
6455 });
6456 }
6457 Ok((x4, diag4))
6458}
6459
6460/// Run Steihaug-CG with a generic preconditioner closure.
6461/// Routes matvec through GPU when `gpu_matvec` is set.
6462pub(crate) fn run_pcg_with_preconditioner<ApplyPrec, B: BatchedBlockSolver + Sync>(
6463 sys: &ArrowSchurSystem,
6464 htt_factors: &ArrowFactorSlab,
6465 ridge_beta: f64,
6466 rhs: &Array1<f64>,
6467 apply_prec: ApplyPrec,
6468 pcg: &ArrowPcgOptions,
6469 trust: &ArrowTrustRegionOptions,
6470 backend: &B,
6471 gpu_matvec: Option<&GpuSchurMatvec>,
6472 metric_weights: Option<&MetricWeights>,
6473 resident: Option<&SaeResidentReducedSchur>,
6474) -> Result<(Array1<f64>, ArrowPcgDiagnostics), ArrowSchurError>
6475where
6476 ApplyPrec: FnMut(&Array1<f64>) -> Array1<f64>,
6477{
6478 let max_iters = pcg.max_iterations.min(trust.max_iterations);
6479 let tol = pcg
6480 .relative_tolerance
6481 .max(trust.steihaug_relative_tolerance);
6482 // #2228 — route the fit-step matvec through `ReducedSchurOperator`, which
6483 // applies the Faddeev–Popov pin `v ↦ P S P v + Q Qᵀ v` when the system carries
6484 // a β-gauge quotient and is byte-for-byte the bare `gpu_matvec` / `schur_matvec`
6485 // apply when it does not. This gauge-fixes the wide-`p` InexactPCG Newton step
6486 // exactly like the dense Direct/SqrtBA modes while leaving the `None`-quotient
6487 // lane (every non-SAE-fit caller) unchanged.
6488 let op = ReducedSchurOperator::new(sys, htt_factors, ridge_beta, backend, resident)
6489 .with_gpu_matvec(gpu_matvec);
6490 steihaug_cg(
6491 rhs,
6492 |p, out| op.apply_into(p, out),
6493 apply_prec,
6494 max_iters,
6495 tol,
6496 trust.radius,
6497 metric_weights,
6498 )
6499}
6500
6501#[derive(Debug, Clone, Copy)]
6502pub(crate) struct IdentityPreconditioner;
6503
6504impl IdentityPreconditioner {
6505 pub(crate) fn apply(&self, r: &Array1<f64>) -> Array1<f64> {
6506 r.clone()
6507 }
6508}
6509
6510pub(crate) fn steihaug_dense_system(
6511 schur: &Array2<f64>,
6512 rhs: &Array1<f64>,
6513 preconditioner: &IdentityPreconditioner,
6514 pcg: &ArrowPcgOptions,
6515 trust: &ArrowTrustRegionOptions,
6516 metric_weights: Option<&MetricWeights>,
6517) -> Result<(Array1<f64>, ArrowPcgDiagnostics), ArrowSchurError> {
6518 steihaug_cg(
6519 rhs,
6520 |p, out| dense_matvec(schur, p, out),
6521 |r| preconditioner.apply(r),
6522 pcg.max_iterations,
6523 pcg.relative_tolerance,
6524 trust.radius,
6525 metric_weights,
6526 )
6527}
6528
6529pub(crate) fn steihaug_cg<MatVec, ApplyPrec>(
6530 rhs: &Array1<f64>,
6531 mut matvec: MatVec,
6532 mut apply_preconditioner: ApplyPrec,
6533 max_iterations: usize,
6534 relative_tolerance: f64,
6535 trust_radius: f64,
6536 metric_weights: Option<&MetricWeights>,
6537) -> Result<(Array1<f64>, ArrowPcgDiagnostics), ArrowSchurError>
6538where
6539 MatVec: FnMut(&Array1<f64>, &mut Array1<f64>),
6540 ApplyPrec: FnMut(&Array1<f64>) -> Array1<f64>,
6541{
6542 let n = rhs.len();
6543 if let Some(weights) = metric_weights {
6544 assert_eq!(
6545 weights.len(),
6546 n,
6547 "Steihaug-CG metric weight length must match solve dimension"
6548 );
6549 }
6550 let radius = if trust_radius.is_finite() && trust_radius > 0.0 {
6551 trust_radius
6552 } else {
6553 f64::INFINITY
6554 };
6555 let rhs_norm = metric_norm(rhs.view(), metric_weights);
6556 if rhs_norm == 0.0 {
6557 return Ok((Array1::<f64>::zeros(n), ArrowPcgDiagnostics::default()));
6558 }
6559 let tol = (relative_tolerance.max(0.0) * rhs_norm).max(PCG_ABSOLUTE_TOLERANCE_FLOOR);
6560 let mut x = Array1::<f64>::zeros(n);
6561 let mut r = rhs.clone();
6562 let mut z = apply_preconditioner(&r);
6563 let mut diag = ArrowPcgDiagnostics {
6564 precond_apply_calls: 1,
6565 ..ArrowPcgDiagnostics::default()
6566 };
6567 let mut p = z.clone();
6568 let mut rz = metric_dot(&r, &z, metric_weights);
6569 if rz <= 0.0 || !rz.is_finite() {
6570 if radius.is_finite() {
6571 diag.final_relative_residual = metric_norm(r.view(), metric_weights) / rhs_norm;
6572 diag.stopping_reason = PcgStopReason::TrustRegion;
6573 return Ok((step_to_trust_boundary(&x, &r, radius, metric_weights), diag));
6574 }
6575 // Unbounded (radius = ∞) non-positive preconditioned residual: the
6576 // reduced Schur is indefinite at the very first direction. Surface the
6577 // typed curvature-floor signal so `steihaug_pcg_auto` floors the
6578 // operator minimally and retries, instead of failing into a global
6579 // `ridge_β` ramp. `rz = rᵀM⁻¹r` is a preconditioner-metric curvature;
6580 // report it with the residual norm² as the direction scale.
6581 return Err(ArrowSchurError::UnboundedNegativeCurvature {
6582 curvature: rz,
6583 direction_norm_sq: metric_dot(&r, &r, metric_weights),
6584 });
6585 }
6586 if metric_norm(r.view(), metric_weights) <= tol {
6587 diag.final_relative_residual = 0.0;
6588 diag.stopping_reason = PcgStopReason::Converged;
6589 return Ok((x, diag));
6590 }
6591 let mut ap = Array1::<f64>::zeros(n);
6592 // Reused candidate scratch — avoid per-iteration clone of x.
6593 let mut candidate = Array1::<f64>::zeros(n);
6594 for _ in 0..max_iterations {
6595 matvec(&p, &mut ap);
6596 diag.matvec_calls += 1;
6597 diag.iterations += 1;
6598 let pap = metric_dot(&p, &ap, metric_weights);
6599 if pap <= 0.0 || !pap.is_finite() {
6600 if radius.is_finite() {
6601 diag.final_relative_residual = metric_norm(r.view(), metric_weights) / rhs_norm;
6602 diag.stopping_reason = PcgStopReason::TrustRegion;
6603 return Ok((step_to_trust_boundary(&x, &p, radius, metric_weights), diag));
6604 }
6605 // Unbounded negative curvature `pᵀSp ≤ 0`: the reduced Schur is
6606 // indefinite along `p` (the #1026 co-collapse direction). Surface
6607 // the typed signal carrying `pᵀSp` and `‖p‖²` so the caller floors
6608 // the operator by the minimal ridge `δ = |pᵀSp|/‖p‖²` (which makes
6609 // `pᵀ(S+δI)p = 0⁺`) plus a margin, and retries.
6610 return Err(ArrowSchurError::UnboundedNegativeCurvature {
6611 curvature: pap,
6612 direction_norm_sq: metric_dot(&p, &p, metric_weights),
6613 });
6614 }
6615 let alpha = rz / pap;
6616 for i in 0..n {
6617 candidate[i] = x[i] + alpha * p[i];
6618 }
6619 if radius.is_finite() && metric_norm(candidate.view(), metric_weights) >= radius {
6620 diag.final_relative_residual = metric_norm(r.view(), metric_weights) / rhs_norm;
6621 diag.stopping_reason = PcgStopReason::TrustRegion;
6622 return Ok((step_to_trust_boundary(&x, &p, radius, metric_weights), diag));
6623 }
6624 x.assign(&candidate);
6625 for i in 0..n {
6626 r[i] -= alpha * ap[i];
6627 }
6628 if metric_norm(r.view(), metric_weights) <= tol {
6629 diag.final_relative_residual = metric_norm(r.view(), metric_weights) / rhs_norm;
6630 diag.stopping_reason = PcgStopReason::Converged;
6631 return Ok((x, diag));
6632 }
6633 z = apply_preconditioner(&r);
6634 diag.precond_apply_calls += 1;
6635 let rz_next = metric_dot(&r, &z, metric_weights);
6636 if rz_next <= 0.0 || !rz_next.is_finite() {
6637 return Err(ArrowSchurError::PcgFailed {
6638 reason: "non-positive or non-finite PCG residual".to_string(),
6639 });
6640 }
6641 let beta = rz_next / rz;
6642 for i in 0..n {
6643 p[i] = z[i] + beta * p[i];
6644 }
6645 rz = rz_next;
6646 }
6647 diag.final_relative_residual = metric_norm(r.view(), metric_weights) / rhs_norm;
6648 diag.stopping_reason = PcgStopReason::MaxIter;
6649 Ok((x, diag))
6650}
6651
6652pub(crate) fn step_to_trust_boundary(
6653 x: &Array1<f64>,
6654 p: &Array1<f64>,
6655 radius: f64,
6656 metric_weights: Option<&MetricWeights>,
6657) -> Array1<f64> {
6658 let pp = metric_dot(p, p, metric_weights);
6659 if pp == 0.0 {
6660 return x.clone();
6661 }
6662 let xp = metric_dot(x, p, metric_weights);
6663 let xx = metric_dot(x, x, metric_weights);
6664 let disc = (xp * xp + pp * (radius * radius - xx)).max(0.0);
6665 let tau = (-xp + disc.sqrt()) / pp;
6666 let mut out = x.clone();
6667 for i in 0..out.len() {
6668 out[i] += tau * p[i];
6669 }
6670 out
6671}
6672
6673pub(crate) fn dense_matvec(a: &Array2<f64>, x: &Array1<f64>, out: &mut Array1<f64>) {
6674 let n = a.nrows();
6675 for i in 0..n {
6676 let mut acc = 0.0;
6677 for j in 0..n {
6678 acc += a[[i, j]] * x[j];
6679 }
6680 out[i] = acc;
6681 }
6682}
6683
6684pub(crate) fn dot(a: &Array1<f64>, b: &Array1<f64>) -> f64 {
6685 let mut acc = 0.0;
6686 for i in 0..a.len() {
6687 acc += a[i] * b[i];
6688 }
6689 acc
6690}
6691
6692pub(crate) fn metric_dot(
6693 a: &Array1<f64>,
6694 b: &Array1<f64>,
6695 metric_weights: Option<&MetricWeights>,
6696) -> f64 {
6697 assert_eq!(a.len(), b.len());
6698 match metric_weights {
6699 Some(weights) => {
6700 assert_eq!(weights.len(), a.len());
6701 let mut acc = 0.0;
6702 for i in 0..a.len() {
6703 acc += weights[i] * a[i] * b[i];
6704 }
6705 acc
6706 }
6707 None => dot(a, b),
6708 }
6709}
6710
6711pub(crate) fn metric_norm(v: ArrayView1<'_, f64>, metric_weights: Option<&MetricWeights>) -> f64 {
6712 let mut acc = 0.0;
6713 match metric_weights {
6714 Some(weights) => {
6715 assert_eq!(weights.len(), v.len());
6716 for i in 0..v.len() {
6717 acc += weights[i] * v[i] * v[i];
6718 }
6719 }
6720 None => {
6721 for x in v.iter() {
6722 acc += x * x;
6723 }
6724 }
6725 }
6726 acc.sqrt()
6727}
6728
6729pub(crate) fn symmetrize_upper_from_lower(a: &mut Array2<f64>) {
6730 let n = a.nrows().min(a.ncols());
6731 for i in 0..n {
6732 for j in 0..i {
6733 let v = 0.5 * (a[[i, j]] + a[[j, i]]);
6734 a[[i, j]] = v;
6735 a[[j, i]] = v;
6736 }
6737 }
6738}
6739
6740/// Errors raised by [`ArrowSchurSystem::solve`].
6741#[derive(Debug, Clone)]
6742pub enum ArrowSchurError {
6743 /// A per-row `H_tt^(i)` block was not positive-definite at the
6744 /// supplied ridge. Indicates an under-regularized latent block —
6745 /// typically a gauge-free fit without an identifiability penalty.
6746 PerRowFactorFailed { row: usize, reason: String },
6747 /// A per-row `H_tt^(i)` block factored, but the Cholesky factor failed
6748 /// the safe-inversion guard for the Schur reduction. This can be either
6749 /// an excessive diagonal-ratio condition-number estimate or a numerically
6750 /// tiny pivot relative to the row block scale. Cholesky technically
6751 /// succeeded, but the inverse used in
6752 /// `S = H_ββ − Σ_i H_tβ^(i)ᵀ (H_tt^(i))⁻¹ H_tβ^(i)` is contaminated
6753 /// by spectral terms on the order of `κ_i`; functionally
6754 /// equivalent to a PSD-fail for Schur stability. The LM outer
6755 /// wrapper escalates `ridge_t` identically to `PerRowFactorFailed`.
6756 PerRowFactorIllConditioned { row: usize, kappa_estimate: f64 },
6757 /// The Schur complement was not positive-definite. Indicates a
6758 /// near-collinear decoder or a degenerate weighting; the LM outer
6759 /// wrapper should escalate `ridge_beta` and retry.
6760 SchurFactorFailed { reason: String },
6761 /// The BA inexact-step PCG solve failed before producing a usable
6762 /// Steihaug trust-region step.
6763 PcgFailed { reason: String },
6764 /// The UNBOUNDED (trust-radius = ∞) Schur PCG encountered negative
6765 /// curvature `pᵀSp ≤ 0` (or a non-positive preconditioned residual): the
6766 /// reduced Schur is indefinite, the #1026 K≥4 co-collapse signature where
6767 /// a near-singular per-row `H_tt` over-subtracts `S`. With no trust radius
6768 /// there is no boundary to step to, so CG cannot proceed. `curvature` is
6769 /// the offending `pᵀSp` and `direction_norm_sq` the `‖p‖²` of the
6770 /// negative-curvature direction; the caller floors the operator with the
6771 /// minimal ridge `δ = (|curvature|/‖p‖² )·(1+ε)` that restores positive
6772 /// curvature along `p` and retries (matrix-free analogue of the dense
6773 /// `spectral_pd_floored_schur`), rather than blindly inflating `ridge_β`.
6774 UnboundedNegativeCurvature {
6775 curvature: f64,
6776 direction_norm_sq: f64,
6777 },
6778 /// Adaptive proximal damping could not produce an Armijo-accepted
6779 /// nonlinear step.
6780 AdaptiveCorrectionFailed { reason: String },
6781}
6782
6783impl ArrowSchurError {
6784
6785 /// Whether this refusal is a Schur complement that is merely not positive
6786 /// definite — a RELOCATABLE trial point rather than a defect.
6787 ///
6788 /// The distinction is the caller's next move: an indefinite complement means
6789 /// the point is in an indefinite basin adjacent to a PD optimum, so the trial
6790 /// can be refused and the search steered, whereas a non-finite or non-square
6791 /// operator is a defect no relocation fixes. gam-sae's outer ρ-search is
6792 /// exactly that caller — it reads an indefinite complement as `+∞` and steers
6793 /// ρ back into the PD region (#1782).
6794 ///
6795 /// ⚠ #2598 — this predicate exists because that caller was recovering the
6796 /// same verdict by matching TWO substrings of [`Display`]'s output
6797 /// (`"Schur complement Cholesky failed"` and `"not positive definite"`) on a
6798 /// `String`-typed spine. The information was already a type here and was
6799 /// being rendered to prose and reconstructed, across a crate boundary:
6800 /// rewording either message below would have silently reclassified every
6801 /// recoverable Schur refusal as a fatal defect with nothing failing. The
6802 /// conjunct is preserved exactly — the discriminant carries the first
6803 /// substring and `reason` carries the second — so a `SchurFactorFailed`
6804 /// whose reason is a non-finite entry, a non-square operator or an
6805 /// unavailable device still reports `false` and stays fatal.
6806 ///
6807 /// [`Display`]: std::fmt::Display
6808 pub fn is_non_pd_schur_complement(&self) -> bool {
6809 matches!(
6810 self,
6811 ArrowSchurError::SchurFactorFailed { reason }
6812 if reason.contains("not positive definite")
6813 )
6814 }
6815
6816 /// [`Self::is_non_pd_schur_complement`], read off a message that has already
6817 /// been rendered — the same verdict for a caller that no longer holds the
6818 /// value.
6819 ///
6820 /// #2598 — gam-sae's ρ-probe classifier is one such caller: by the time a
6821 /// refusal reaches `ProbeRefusalKind::classify` the spine has flattened it
6822 /// to a `String`, and it was recovering this verdict by matching two
6823 /// literals of the [`Display`] impl below — in another crate. That made
6824 /// **rewording either message here a silent reclassification of every
6825 /// recoverable Schur refusal as a fatal defect**, with nothing failing.
6826 ///
6827 /// The wording knowledge now lives beside the wording. The discriminant
6828 /// phrase and the reason phrase are the same conjunct the value-level
6829 /// predicate above tests, and
6830 /// `rendered_verdict_matches_the_value_verdict_for_every_variant_2598`
6831 /// pins the two to each other for every variant, so a reword must move all
6832 /// three together in this one file or fail here.
6833 ///
6834 /// `contains` rather than equality because callers wrap the rendered text
6835 /// in their own context before it arrives.
6836 ///
6837 /// [`Display`]: std::fmt::Display
6838 pub fn rendered_is_non_pd_schur_complement(rendered: &str) -> bool {
6839 rendered.contains("Schur complement Cholesky failed")
6840 && rendered.contains("not positive definite")
6841 }
6842
6843 /// #2515 — the phrase every RESOLVED-INDEFINITE evidence refusal carries,
6844 /// and the only place it is written.
6845 ///
6846 /// The two producers are the reduced-Schur and per-row conditioning under
6847 /// [`ArrowEvidencePolicy::UnitDeflationRefusingIndefinite`]. Their consumer
6848 /// is in another crate (`gam-sae` maps this to the same typed
6849 /// `IndefiniteObservedInformation` verdict the dense exact-`A` route
6850 /// returns), which is exactly the arrangement #2598 caught drifting: a
6851 /// reworded message in this crate silently reclassified every recoverable
6852 /// refusal as a fatal defect. So the wording lives beside its reader, both
6853 /// producers interpolate it, and [`Self::rendered_is_indefinite_evidence`]
6854 /// matches the same function.
6855 pub fn indefinite_evidence_marker() -> &'static str {
6856 "evidence operator carries RESOLVED NEGATIVE curvature"
6857 }
6858
6859 /// Whether a rendered refusal is the [`Self::indefinite_evidence_marker`]
6860 /// class. `contains` rather than equality because callers wrap the rendered
6861 /// text in their own context before it arrives.
6862 pub fn rendered_is_indefinite_evidence(rendered: &str) -> bool {
6863 rendered.contains(Self::indefinite_evidence_marker())
6864 }
6865}
6866
6867impl std::fmt::Display for ArrowSchurError {
6868 fn fmt(&self, f: &mut std::fmt::Formatter<'_>) -> std::fmt::Result {
6869 match self {
6870 ArrowSchurError::PerRowFactorFailed { row, reason } => write!(
6871 f,
6872 "arrow-Schur: per-row H_tt^({row}) Cholesky failed: {reason}"
6873 ),
6874 ArrowSchurError::PerRowFactorIllConditioned {
6875 row,
6876 kappa_estimate,
6877 } => write!(
6878 f,
6879 "arrow-Schur: per-row H_tt^({row}) Cholesky succeeded but failed \
6880 the safe-inversion guard (kappa_estimate={kappa_estimate:e}); \
6881 Schur reduction would be numerically contaminated"
6882 ),
6883 ArrowSchurError::SchurFactorFailed { reason } => {
6884 write!(f, "arrow-Schur: Schur complement Cholesky failed: {reason}")
6885 }
6886 ArrowSchurError::PcgFailed { reason } => {
6887 write!(f, "arrow-Schur: Schur PCG failed: {reason}")
6888 }
6889 ArrowSchurError::UnboundedNegativeCurvature {
6890 curvature,
6891 direction_norm_sq,
6892 } => write!(
6893 f,
6894 "arrow-Schur: unbounded Schur PCG hit negative curvature pᵀSp={curvature:e} \
6895 (‖p‖²={direction_norm_sq:e}); reduced Schur is indefinite (co-collapse), \
6896 retry with a curvature-floor ridge"
6897 ),
6898 ArrowSchurError::AdaptiveCorrectionFailed { reason } => {
6899 write!(
6900 f,
6901 "arrow-Schur: adaptive proximal correction failed: {reason}"
6902 )
6903 }
6904 }
6905 }
6906}
6907
6908impl std::error::Error for ArrowSchurError {}
6909
6910// ---------------------------------------------------------------------------
6911// Cholesky helpers (kept local to avoid a new public-API dependency on the
6912// linalg crate. The systems here are tiny per-row (d × d, d ∈ {1..16}) and
6913// modest at the Schur level (K × K, K ∈ {basis size}). For production SAE
6914// scales the Schur factor should switch to faer; this module's `cholesky_lower`
6915// is the obvious replacement site.)
6916// ---------------------------------------------------------------------------
6917
6918pub(crate) fn cholesky_lower(a: &Array2<f64>) -> Result<Array2<f64>, String> {
6919 let n = a.nrows();
6920 if a.ncols() != n {
6921 return Err(format!("cholesky_lower: non-square {}×{}", n, a.ncols()));
6922 }
6923 if let Some((idx, _)) = a.iter().enumerate().find(|(_, v)| !v.is_finite()) {
6924 return Err(format!(
6925 "cholesky_lower: non-finite entry at linear index {idx}"
6926 ));
6927 }
6928
6929 // CPU factorization seam (#1017): device routing happens explicitly in the
6930 // arrow-Schur solve before reaching this reference/fallback primitive. At
6931 // the SAE border width the reduced Schur is a
6932 // dense `k×k` (k≈2k–4k) whose scalar triple-loop factorization is O(k³/3)
6933 // and neither blocked nor SIMD-vectorized — the dominant per-Newton-step
6934 // cost on a CPU-only host. faer's blocked LLT computes the SAME `A = L Lᵀ`
6935 // (to O(κ·ε), the slack the reduced solve/log-det already tolerate) an order
6936 // of magnitude faster. Restrict it to `k ≥ FAER_CHOLESKY_MIN` so the many
6937 // tiny per-row `d×d` blocks (d≤~8, factorization.rs) and the small dense
6938 // test fixtures keep the exact scalar loop — bit-for-bit their historical
6939 // factor — where faer's setup overhead would not pay off anyway. If faer
6940 // declines (a non-PD blocked pivot) fall through to the scalar loop so the
6941 // PD/non-PD verdict and its typed error stay exactly the historical ones
6942 // (`factor_dense_reduced_schur`'s spectral-floor fallback keys only on Ok vs
6943 // Err, so the boundary behavior is unchanged).
6944 const FAER_CHOLESKY_MIN: usize = 128;
6945 if n >= FAER_CHOLESKY_MIN {
6946 let view = gam_linalg::faer_ndarray::FaerArrayView::new(a);
6947 if let Ok(llt) = gam_linalg::faer_ndarray::FaerLlt::new(view.as_ref(), faer::Side::Lower) {
6948 let l_faer = llt.L();
6949 let mut l = Array2::<f64>::zeros((n, n));
6950 for i in 0..n {
6951 for j in 0..=i {
6952 l[[i, j]] = l_faer[(i, j)];
6953 }
6954 }
6955 return Ok(l);
6956 }
6957 }
6958
6959 let mut l = Array2::<f64>::zeros((n, n));
6960 for i in 0..n {
6961 for j in 0..=i {
6962 let mut sum = a[[i, j]];
6963 for kk in 0..j {
6964 sum -= l[[i, kk]] * l[[j, kk]];
6965 }
6966 if i == j {
6967 if !sum.is_finite() || sum <= 0.0 {
6968 return Err(format!(
6969 "non-PD pivot {sum} at index {i} (matrix is not positive definite)"
6970 ));
6971 }
6972 l[[i, j]] = sum.sqrt();
6973 } else {
6974 l[[i, j]] = sum / l[[j, j]];
6975 }
6976 }
6977 }
6978 Ok(l)
6979}