Optimal Recovery Meets Bayesian Learning: Where Worst-Case Bounds Pay Off
Organizations: Independent Researcher
Abstract
Worst-case Optimal Recovery (OR) and Bayesian learning describe the same Gaussian-quadratic-Hilbert problems in two vocabularies. We sharpen the correspondence - the radius of information equals a nugget-optimized GP posterior variance and is attained by the posterior mean at a closed-form balance nugget - and measure, inside three published Bayesian systems, where the worst-case side pays. The ledger is two-sided: the losses instruct as much as the wins. Morozov calibration tracks a test-access oracle within - where -blind rules fail, is - more reproducible across noise draws (-), and is the only deployable rule whose selection survives a change of backend ( against - for the released weight, ML-II and GCV); tight certificates cover at the information-theoretic floor with no numerical slack. But on exchangeable data split-conformal beats the OR head on interval score, a water-filling prior adds nothing without an oracle noise hint, and under covariate shift the OR band keeps coverage on every dataset yet loses interval score to split-conformal, and to a feature-free constant band, on most cells; what pays is not shift but shift on a learnable target, which a training-free audit statistic predicts before any model is fitted. In Bayesian optimization the certified width is a validity floor whose scalar inflation we prove inert under a checkable margin condition and check at every step. Inertness is graded, not binary, and in the size of the inflation as much as in the objective: is inert wherever is and on more cells besides, while moves half the Ackley seeds and every Griewank seed. Exploration is a shape problem, not a scale one. The design rule: match the guarantee tool to the data regime, and audit the regime first.
Figures & tables
| rel. noise | released | Morozov | ML-II | GCV | L-curve | oracle | gain | M/o |
|---|---|---|---|---|---|---|---|---|
| 0 | 1.00 | |||||||
| [20,77] | 1.12 | |||||||
| [21,135] | 1.18 | |||||||
| [14,34] | 1.19 | |||||||
| [17,94] | 1.15 | |||||||
| [24,71] | 1.00 |
| split-CP | triv (constant) | OR head (R1) | OR, no floor | ||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| dataset | cov | wid | IS | cov | wid | IS | cov | wid | IS | cov | wid | IS | |||
| concrete | 0.343 | 1.29 | 4 | 0.831 | 0.80 | 3.74 | 0.970 | 1.96 | 4.26 | 0.996 | 2.04 | 7.22 | 0.977 | 1.43 | 6.27 |
| diabetes | 0.419 | 1.25 | 6 | 0.950 | 2.09 | 4.88 | 0.995 | 2.05 | 4.17 | 1.000 | 3.45 | 26.21 | 0.923 | 1.83 | 24.01 |
| california | 0.740 | 1.39 | 3 | 0.962 | 1.35 | 3.35 | 0.969 | 2.26 | 4.96 | 1.000 | 3.29 | 111.0 | 0.954 | 1.55 | 108.2 |
| energy | 0.965 | 3.04 | 3 | 0.784 | 0.33 | 2.05 | 0.986 | 1.98 | 4.03 | 1.000 | 1.41 | 3.44 | 1.000 | 1.29 | 3.20 |
| yacht | 0.995 | 1.60 | 3 | 0.896 | 0.66 | 3.24 | 0.936 | 2.73 | 6.39 | 0.971 | 1.04 | 2.73 | 0.968 | 0.97 | 2.62 |
Appendix figures & tables44 assets
Supplementary material from the paper’s appendix.
Appendix
| Optimal Recovery | Bayesian learning |
|---|---|
| model ball ; noise ball | prior scale; Gaussian likelihood |
| regularization weight / nugget | prior-to-noise ratio |
| power function (exact data) | GP posterior sd |
| radius of information , Eq. ( 2 ) | nugget-optimized posterior variance (new, Thm. 4.1 ) |
| conditional Chebyshev interval | total-ambiguity robust-Bayes credible interval (Thm. 4.2 ) |
| Occam radius ; conformal inflation | degenerate / repaired data-driven prior scale (Lem. 4.3 , Thm. 4.4 ) |
| Known | Here |
|---|---|
| Two-ellipsoid value problem; linearity of optimal recovery; S-procedure exactness ( Micchelli and Rivlin, 1977 ; Melkman and Micchelli, 1979 ; Foucart and Liao, 2024a ; Foucart and Liao, 2024b ) ; optimal parameter within the regularization family ( Foucart and Liao, 2023 ) ; Morozov’s principle ( Morozov, 1966 ; Engl et al., 1996 ) | Bayesian packaging ( 2 ) as nugget-optimized posterior variance; the identity and the 6-line AM–GM attainment proof with the balance equation ; per-functional delivered certificate radius as an implementation invariant |
| -minimax collapses to minimax under total ambiguity ( Berger, 1985 ; Vidakovic, 2000 ) ; Chebyshev-center computation ( Foucart and Liao, 2024b ) ; OUQ programs ( Owhadi et al., 2013 ) | The per-functional credible-interval reading with certified -parameter dual, exact-row elimination and pencil-fast evaluation; positioning as a drop-in band for learned features |
| Split conformal prediction ( Vovk et al., 2005 ; Lei et al., 2018 ; Gibbs and Candès, 2021 ) | Occam-degeneracy lemma (why data-driven radii collapse); conformal calibration of the model-ball radius via nested bands, with the saturation-to-additive-floor fallback |
| Data regime | Recommended tool | Evidence |
|---|---|---|
| no exchangeable calibration data | OR ball Morozov | Sec. 6 , Tab. 1 , 7 , 9 |
| exchangeable, in-distribution | split-CP (constant or normalized); the OR head is valid but wider and scores worse | Tab. 14 , Fig. 13 |
| covariate shift, learnable target (RF CV ) | OR shape for coverage, and drop the conformal floor, which is a net loss on interval score; on a proper score a conformal constant can still win, as split-CP does on energy | Tab. 2 , 19 , Fig. 1 |
| covariate shift, poorly learnable target | a wider conformal constant ; the OR band’s per-point tail costs more than its coverage buys | Tab. 2 , Fig. 17 |
| exploration bonus | floor for validity; shape, not scale – and check Prop. 4.5 before scaling | Prop. 4.5 , Fig. 2 , Tab. 25 , 26 |
| any of the above, before trusting a dispersion number | measure the run-to-run floor first | Tab. 8 , 9 |
| rel. noise | released | Morozov | ML-II | GCV | L-curve | oracle | gain | M/o |
|---|---|---|---|---|---|---|---|---|
| 0 | [1,97] | 1.71 | ||||||
| [7,18] | 1.00 | |||||||
| [5,14] | 1.04 | |||||||
| [16,70] | 1.05 | |||||||
| [18,51] | 1.03 | |||||||
| [37,57] | 1.00 |
| rel. noise | released | Morozov | ML-II | GCV | L-curve | oracle |
|---|---|---|---|---|---|---|
| collocation (the released system’s own grid), groups | ||||||
| 0.624 | 0.124 | 0.624 | 0.624 | 0.534 | 0.132 | |
| 0.668 | 0.150 | 1.223 | 0.882 | 0.447 | 0.164 | |
| 0.427 | 0.242 | 0.923 | 0.576 | 0.607 | 0.129 | |
| 0.889 | 0.192 | 0.200 | 0.199 | 0.200 | 0.207 | |
| 0.531 | 0.186 | 0.180 | 0.186 | 0.180 | 0.186 | |
| 0.110 | 0.075 | 0.031 | 0.042 | 0.033 | 0.064 | 0.036 | |
| 2.102 | 1.089 | 0.192 | 0.021 | 0.006 | 0.003 | 0.006 | |
| released | Morozov | ML-II | GCV | L-curve | oracle | ||
| Tab. 7 median own floor |
| rule | median ratio | range over the 25 cells | worst disagreement |
|---|---|---|---|
| released | 1.180 | ||
| ML-II | 0.998 | ||
| GCV | 0.988 | ||
| L-curve | 0.980 | ||
| Morozov | 0.994 | ||
| oracle | 0.994 |
| rel. | ||
|---|---|---|
| cells (seeds) points | ||
| (source) | (closed form) | (bordered Occam) |
| (all rows within ) | ||
| raw coverage (no slack) | ( ) | ( ) |
| rel. | ||||||
|---|---|---|---|---|---|---|
| median half | width/err | tighten | median half | width/err | tighten | |
| dataset | source | target | distinct | RF CV | ||
|---|---|---|---|---|---|---|
| diabetes | 442 | 10 | sklearn load_diabetes | target | 214 | 0.4193 |
| concrete | 1030 | 8 | OpenML 44959 | strength | 938 | 0.3428 |
| energy | 768 | 8 | OpenML 44960 | heating_load | 587 | 0.9651 |
| yacht | 308 | 6 | OpenML 42370 | Residuary.resistance | 258 | 0.9954 |
| california | 1500 | 8 | sklearn california_housing | target | 1101 | 0.7401 |
| dataset | regime | level | achieved | ||||
|---|---|---|---|---|---|---|---|
| california | iid | 1200 | 300 | 300 | 285 | ||
| california | shift | 1050 | 450 | 262 | 249 | ||
| concrete | iid | 824 | 206 | 206 | 196 | ||
| concrete | shift | 721 | 309 | 180 | 171 | ||
| diabetes | iid | 353 | 89 | 88 | 84 | ||
| diabetes | shift | 309 | 133 | 77 | 74 |
| arm | coverage | median half-width | interval score | penalty share | |
|---|---|---|---|---|---|
| (mean) | median [IQR] | median [IQR] | of IS (median) | ||
| i.i.d. | |||||
| DAK (released) | 19 | 0.861 | 0.68 [0.44, 0.86] | 2.49 [1.83, 6.29] | 0.539 |
| DAK (KL repaired) | 19 | 0.873 | 0.68 [0.45, 0.90] | 2.59 [1.62, 5.40] | 0.465 |
| split-CP | 19 | 0.964 | 0.91 [0.61, 1.71] | 2.58 [1.80, 3.74] | 0.231 |
| norm. split-CP (temp.) | 19 | 0.961 | 0.90 [0.62, 1.77] | 2.60 [1.82, 3.77] | 0.201 |
| i.i.d. ( ) | shift ( ) | |
| share of the band | 0.338 [0.281, 0.542] | 0.686 [0.543, 0.798] |
| share of the band | 0.412 [0.180, 0.447] | 0.117 [0.024, 0.209] |
| share of the band | 0.292 [0.266, 0.352] | 0.182 [0.092, 0.213] |
| (absolute) | 0.828 [0.604, 0.960] | 1.898 [0.981, 5.747] |
| (absolute) | 0.961 [0.291, 1.558] | 0.836 [0.230, 1.630] |
| (absolute) | 0.662 [0.435, 0.922] | 0.620 [0.417, 0.674] |
| cell | n cap | median half | mean half | max half | |||
| california/shift/0/0.0 | 450 | 8 | 0.62 | 139.8 | 61896 | 0.500 | 40 |
| diabetes/shift/1/0.0 | 133 | 13 | 1.52 | 25.4 | 830 | 0.370 | 40 |
| diabetes/shift/1/0.1 | 133 | 10 | 1.07 | 24.1 | 783 | 0.297 | 40 |
| california/shift/1/0.0 | 450 | 36 | 1.28 | 13.2 | 391 | 0.194 | 40 |
| california/shift/0/0.25 | 450 | 13 | 0.56 | 6.1 | 516 | 0.337 | 40 |
| concrete/shift/0/0.25 | 309 | 8 | 0.62 | 4.7 | 245 | 0.308 | 40 |
| refused | median [IQR] over the delivered cells | blow-up | median | |||||
|---|---|---|---|---|---|---|---|---|
| featnorm | delivery | /30 | median | mean | max | (mean) | IS | |
| clamp (shipped) | all rows | 18 | 0.641 | 266 | 0.58 | 15/30 | 533 | |
| clamp | fit split | 3 | 0.863 | 87.3 | 0.56 | 14/30 | 903 | |
| drop dead | all rows | 19 | 0.588 | 0.841 | 2.53 | 0.09 | 0/30 | 2.91 |
| drop dead (v5) | fit split | 4 | 0.818 | 1.9 | 26.2 | 0.12 | 0/30 | 6.85 |
| scale | effect | ratio | 95% CI of the median | floor | ||
|---|---|---|---|---|---|---|
| median | FEATNORM, fit split | 26 | ||||
| FEATNORM, all rows | 11 | |||||
| DELIVERY, drop dead | 11 | |||||
| DELIVERY, clamp | 12 | |||||
| INTERACTION | 11 | |||||
| mean | FEATNORM, fit split | 26 |
| arm | coverage | nom. | mean half-width | interval score |
|---|---|---|---|---|
| region: design gap | ||||
| DAK | [0.395, 0.588] | 0/10 | [0.589, 0.633] | [4.23, 18.6] |
| split-CP (constant) | [0.436, 0.689] | 2/10 | [0.578, 0.951] | [3.51, 12.9] |
| normalized split-CP | [0.426, 0.689] | 2/10 | [0.634, 0.967] | [3.46, 12.5] |
| constant-predictor split-CP | [0.625, 0.662] | 0/10 | [1.762, 1.844] | [6.31, 7.62] |
| OR band or1 | [1.000, 1.000] | 10/10 | [1.786, 3.747] | [3.57, 7.49] |
| quantity | region | single seed | ten-seed median [IQR] | min–max | verdict |
|---|---|---|---|---|---|
| split-CP coverage | gap | [0.436, 0.689] | 0.243–1.000 | in IQR | |
| split-CP coverage | ind | [0.497, 0.765] | 0.293–1.000 | in IQR | |
| split-CP coverage | ext | [0.411, 0.497] | 0.395–0.500 | in IQR | |
| norm. split-CP coverage | gap | [0.426, 0.689] | 0.270–1.000 | in IQR | |
| norm. split-CP coverage | ind | [0.517, 0.753] | 0.313–1.000 | in IQR | |
| norm. split-CP coverage | ext | [0.424, 0.487] | 0.408–0.539 | in range |
| EI | UCB | OR-LCB ( ) | floor | floor | ||
|---|---|---|---|---|---|---|
| Branin | 7 | 0.14 (0.19) | 0.13 (3.88) | 0.20 (0.34) | 0.29 (0.58) | 0.26 (0.89) |
| Hartmann-6 | 7 | 0.70 (1.65) | 0.96 (2.05) | 0.96 (2.49) | 0.96 (2.49) | 0.96 (2.49) |
| Griewank | 7 | 8.31 (20.79) | 9.71 (25.49) | 12.40 (22.71) | 10.98 (19.98) | 9.92 (19.98) |
| Ackley-5D | 7/6 | 6.59 (8.95) | 5.58 (9.60) | 7.92 (9.60) | 7.92 (9.60) | 7.34 (9.60) |
| Levy-10D | 6 | 4.47 (9.17) | 4.47 (9.17) | 4.47 (9.17) | 4.47 (9.17) | 4.47 (9.17) |
| Benchmark | arm | median diff. | bootstrap CI of the median | better/worse/tied | Wilcoxon | floor | |
|---|---|---|---|---|---|---|---|
| Levy-10D | UCB | ||||||
| Levy-10D | OR-LCB | ||||||
| Levy-10D | floor | ||||||
| Levy-10D | floor | ||||||
| Hartmann-6 | UCB | ||||||
| Hartmann-6 | OR-LCB |
| Benchmark | arm | median diff. | bootstrap CI of the median | better/worse/tied | Wilcoxon | floor | |
|---|---|---|---|---|---|---|---|
| Levy-10D | EI | ||||||
| Levy-10D | UCB | ||||||
| Levy-10D | floor | ||||||
| Levy-10D | floor | ||||||
| Hartmann-6 | EI | ||||||
| Hartmann-6 | UCB |
| Benchmark | arm | median diff. | bootstrap CI of the median | better/worse/tied | Wilcoxon | floor | |
|---|---|---|---|---|---|---|---|
| Levy-10D | UCB | ||||||
| Levy-10D | OR-LCB | ||||||
| Levy-10D | floor | ||||||
| Levy-10D | floor | ||||||
| Hartmann-6 | UCB | ||||||
| Hartmann-6 | OR-LCB |
| action-inert seeds | full | escape | UCB | ||||
|---|---|---|---|---|---|---|---|
| Benchmark | ladder | step | OR-LCB | ||||
| Levy-10D | below the -grid floor | never | |||||
| Hartmann-6 | below the -grid floor | ||||||
| Ackley-5D | |||||||
| Griewank-5D | |||||||
| Branin-2D | |||||||
| one step ( records) | whole trajectory ( pairs) | |||
|---|---|---|---|---|
| argmin coincided | argmin moved | bitwise identical | differ | |
| criterion fires | ||||
| criterion silent | ||||
Gaussian Process Regression
Gaussian process regression uses kernel-defined distributions over functions to make predictions and quantify uncertainty from observed data.
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