Shared Physics Responses Recover Hidden Rankings in Neural Operator Libraries
Organizations: Nanophotonics and Biophotonics Key Laboratory of Jilin Province, School of Physics, Changchun University of Science and Technology, Changchun 130022, P.R. China
Abstract
Selecting the optimal neural-operator prediction during deployment is challenging when high-fidelity reference solutions are unavailable. We demonstrate that under a squared Hilbert-space loss, ranking a finite model library depends strictly on the low-dimensional span of candidate differences, allowing us to score all models simultaneously using a single anchor-based linearized response of the governing equation. This shared physical diagnostic accurately recovered over 99.6% of pairwise preferences and 99.0% of optimal checkpoints across diverse Fourier and convolutional operator libraries for fluid, reaction-diffusion, and wave dynamics. Furthermore, the corrected physical proxy frequently outperformed the best individual candidates, and we establish computable sufficient conditions that rigorously certify exact decisions for strongly monotone discretizations. By exploiting the local dynamical response rather than raw defect magnitude, this framework enables the reliable and highly efficient deployment of scientific surrogates without requiring ground-truth data.
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Appendix
| Study | Candidates | Inputs / cases | Pair decisions | Primary rule |
|---|---|---|---|---|
| Primary two-PDE | 8 trained libraries ( each) | 480 / 1,920 | 53,760 | reference non-ties; tolerant top-1 |
| Additional libraries | 16 libraries ( each) | 480 / 3,840 | 107,520 | Strict pairs; exact top-1 |
| Sine–Gordon | 8 libraries ( each) | 240 / 1,920 | 53,760 | Strict pairs and top-1; unresolved counted as errors |
| PDEBench | 1 public U-Net library ( models) | 99 / 99 | 297 | Strict pairs; exact top-1 |
| Setting | Method | Pairwise result | Top-1 result |
|---|---|---|---|
| Two-PDE, eight libraries | Propagated | [99.5355, 99.6482] | [98.5938, 99.4271] |
| Two-PDE, eight libraries | Raw residual | [67.1886, 68.4727] | [40.7813, 44.4792] |
| Two-PDE, 16 libraries | Propagated | [99.6187, 99.7870] ( ) | [98.3333, 99.4792] ( ) |
| Two-PDE, 16 libraries | Raw residual | [69.5879, 71.2891] ( ) | [38.9063, 48.0215] ( ) |
| Sine–Gordon | Propagated | [98.2013, 98.7333] | [94.4792, 96.5625] |
| Sine–Gordon | Raw residual | [50.6622, 52.9018] | [11.4583, 14.6875] |
| Selector | Truth-free construction | Pair correct | Top-1 correct |
|---|---|---|---|
| ID validation | Input-independent ordering by in-distribution validation loss | 24,814/49,323 | 420/1,920 |
| Mean centrality | Squared task-space distance to the candidate mean | 28,134/49,323 | 329/1,920 |
| Medoid centrality | Squared task-space distance to the candidate medoid | 27,689/49,323 | 335/1,920 |
| Wrong-input propagation | Propagated coordinate from another input in the same stratum | 33,885/49,323 | 884/1,920 |
| Reversed propagation | Input-aligned correction with its direction reversed | 5,080/49,323 | 59/1,920 |
| Cell | Prop. pair | Raw pair | Prop. top-1 | Raw top-1 | Prop. mean regret |
|---|---|---|---|---|---|
| Burgers CNO e1 | 98.7928 | 71.7288 | 96.6667 | 48.7500 | |
| Burgers CNO e2 | 98.8074 | 72.4806 | 96.6667 | 42.5000 | |
| Burgers FNO e1 | 99.7283 | 86.8246 | 99.5833 | 71.6667 | |
| Burgers FNO e2 | 99.6694 | 89.5116 | 99.1667 | 67.9167 | |
| RD CNO e1 | 100.0000 | 53.7785 | 100.0000 | 10.8333 | 0 |
| RD CNO e2 | 100.0000 | 33.4425 | 100.0000 | 0.0000 | 0 |
| Cell | Prop. pair | Raw pair | Prop. top-1 | Raw top-1 | Prop. mean regret |
|---|---|---|---|---|---|
| Burgers CNO r1 | 99.4345 | 78.5565 | 97.5000 | 54.1667 | |
| Burgers CNO r2 | 99.1815 | 78.7351 | 97.9167 | 57.9167 | |
| Burgers CNO r3 | 99.2857 | 77.2917 | 98.7500 | 65.4167 | |
| Burgers CNO r4 | 98.8690 | 73.5268 | 95.4167 | 38.7500 | |
| Burgers FNO r1 | 99.8512 | 91.5476 | 99.5833 | 65.4167 | |
| Burgers FNO r2 | 99.6875 | 88.0952 | 98.3333 | 76.2500 |
| Cell | Prop. pair | Raw pair | Prop. top-1 | Raw top-1 | Pair indet. | Top indet. |
|---|---|---|---|---|---|---|
| CNO r1 | 99.1667 | 44.3006 | 97.0833 | 20.0000 | 0 | 0 |
| CNO r2 | 98.8542 | 51.0268 | 95.8333 | 8.3333 | 1 | 0 |
| CNO r3 | 98.7798 | 51.6071 | 97.0833 | 7.9167 | 1 | 0 |
| CNO r4 | 99.3899 | 47.8869 | 98.3333 | 13.7500 | 2 | 0 |
| FNO r1 | 97.9167 | 57.4405 | 94.5833 | 15.4167 | 0 | 0 |
| FNO r2 | 97.7530 | 48.0804 | 92.5000 | 11.2500 | 2 | 0 |
| Method | Strict pair | Exact top-1 | Mean regret | Selected checkpoint |
|---|---|---|---|---|
| Propagated physics | 0 | Autoregressive | ||
| Raw residual | 0.282935 | One-step | ||
| Full-trajectory-medoid centrality | 0.141394 | Push-forward-20 |
| Propagated physics | Raw residual | |||||||
| NRegret | Exact | Tol. | Top-2 | NRegret | Exact | Tol. | Top-2 | |
| 3 | 0.1269 | 37 | 40 | 46 | 0.2660 | 30 | 32 | 33 |
| 6 | 0.1335 | 35 | 39 | 42 | 0.2506 | 27 | 30 | 31 |
| 12 | 0.0481 | 46 | 50 | 54 | 0.2148 | 29 | 33 | 37 |
| 24 | 0.0351 | 49 | 52 | 55 | 0.1866 | 31 | 37 | 39 |
| Method | Non-tie pairwise | Tolerant top-1 |
|---|---|---|
| Propagated ∗ | ||
| Candidate-specific | [99.3993, 99.7616] |
| Method | Non-tie pairwise | Tolerant top-1 |
|---|---|---|
| Shared propagated | ||
| Candidate-specific | ||
| Raw residual |
| Category | Count |
|---|---|
| No flip | 37,782 |
| Diagnostic and truth flip | 15,534 |
| Diagnostic-only flip | 256 |
| Truth-only flip | 188 |
| Burgers | Reaction–diffusion | |||
|---|---|---|---|---|
| S | C | S | C | |
| 2 | 0.653 | 1.293 | 0.0472 | 0.0930 |
| 4 | 0.551 | 2.164 | 0.0475 | 0.1887 |
| 8 | 0.540 | 4.337 | 0.0483 | 0.3764 |
| 16 | 0.541 | 8.664 | 0.0486 | 0.7455 |
| Transition | Cells | Pairs | Strict flips | Tol. transitions | Top-1 changes |
|---|---|---|---|---|---|
| Burgers 192 384 | 4 | 26,874 | 0 | 0 | 0 |
| RD 64 128 | 4 | 26,835 | 10 | 63 | 2 |
| RD 128 256 | 4 | 26,818 | 0 | 25 | 0 |
| RD 256 512, new inputs | 4 | 26,793 | 0 | 6 | 0 |
| Population | Group | Pairs | Pair coverage | Top-1 coverage | Max closure error |
|---|---|---|---|---|---|
| Earlier | FNO | 26,880 | 98.1734% | 93.8542% | |
| Earlier | CNO | 26,880 | 32.7195% | 6.0417% | |
| Checkpoint re-inference | FNO | 26,880 | 98.0394% | 93.4375% | |
| Checkpoint re-inference | CNO | 26,880 | 32.1205% | 5.6250% |
| Quantity | Result |
|---|---|
| Library–input cases | 24 |
| Candidate pairs | 672 |
| Pair inequalities satisfied | 672/672 |
| Strict top-1 conditions satisfied | 24/24 |
| Tolerant top-1 conditions satisfied | 24/24 |
| Largest bound/proxy-margin ratio | 0.09494 |
| Comparison | Result |
|---|---|
| State bounds exceeding approximate-zero difference | 24/24 |
| State bound/observed-error ratio | 1.000018–1.000211 |
| Pair bounds exceeding approximate-zero drift | 672/672 |
| Disagreements among selected pair signs | 0/672 |
| Disagreements among strict top-1 selections | 0/24 |
| Disagreements among tolerant top-1 selections | 0/24 |
| Metric | Theory scope | Fixed pair / top-1 | Matched pair / top-1 / order |
|---|---|---|---|
| Terminal squared | Exact squared-Hilbert | 297/297; 99/99 | 297/297; 99/99; 99/99 |
| Trajectory squared | Exact squared-Hilbert | 297/297; 99/99 | 297/297; 99/99; 99/99 |
| RMSE | Nonlinear reduction | 297/297; 99/99 | 297/297; 99/99; 99/99 |
| Normalized RMSE plug-in | Truth-dependent plug-in | 296/297; 99/99 | 297/297; 99/99; 99/99 |
| Conservation error | Linear summary; nonlinear reduction | 297/297; 99/99 | 297/297; 99/99; 99/99 |
| Maximum error | ; outside theorem | 297/297; 99/99 | 293/297; 99/99; 95/99 |
| Method | Non-tie pairwise | Exact top-1 | Tolerant top-1 |
|---|---|---|---|
| Raw product residual | 25,553/42,761 (59.758%) | 451/1,920 (23.490%) | 780/1,920 (40.625%) |
| Common-energy variational | 35,371/42,761 (82.718%) | 1,111/1,920 (57.865%) | 1,430/1,920 (74.479%) |
| Candidate-adapted majorant | 35,369/42,761 (82.713%) | 1,111/1,920 (57.865%) | 1,430/1,920 (74.479%) |
| Shared corrected proxy | 42,761/42,761 (100%) | 1,917/1,920 (99.844%) | 1,920/1,920 (100%) |
| Quantity | Improved/correct | Median factor |
|---|---|---|
| Full trajectory error | 2.951 | |
| Candidate-difference error | 22.238 | |
| Perpendicular error | 0.894 | |
| Operator defect | 32.767 | |
| Common-state top-1 | — | |
| Corrected-proxy top-1 | — |
| Readout | Valid | Pairwise | Top-1 | Median error factor |
|---|---|---|---|---|
| Common state ( ) | 1.00 | |||
| Unit correction ( ) | 2.47 | |||
| Truth-free backtracking | 2.04 |
Model Selection
Model selection chooses models, features, or configurations that balance predictive fit, generalization, complexity, and deployment constraints.
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