PDE-PFN: Prior-Data Fitted Neural PDE Solver
Organizations: SolverX · KAIST · Seoul National University · TelePIX ·
Abstract
Motivated by the success of large language models (LLMs) with broad generalizability and robustness to noisy or unreliable pre-training data, we explore in-context prediction of PDE solution fields using approximate pre-training data. In addition, inspired by the posterior predictive mean-based inference mechanism of the in-context learning in prior-data fitted networks (PFNs), we propose PDE-PFN, a prior-data fitted neural solver that approximates the posterior predictive mean of PDE solutions via in-context learning. PDE-PFN builds on a PFN architecture with self- and cross-attention mechanisms of Transformer and is pre-trained on noisy approximate solutions generated by physics-informed neural networks, serving as diverse but not necessarily exact priors. Through experiments on a range of two-dimensional PDEs, we demonstrate that PDE-PFN achieves empirical generalization across heterogeneous equations, robustness under noisy priors, and zero-gradient-update in-context inference capability. PDE-PFN achieves competitive or improved predictive accuracy relative to the evaluated baselines while supporting flexible context and query representations.
Figures & tables
| Section | Task | Coeff/Dataset | Equation | Objective |
| 4.2.1 | Inter & Extra | Seen | Family of 2D CDR equations | Within-family task generalization |
| 4.2.2 | Inter & Extra | Unseen | Within-family coefficient generalization | |
| 4.3.1 | Inter & Extra | Seen & Unseen | SWE | Cross-PDE transfer after fine-tuning |
| 4.3.2 | Operator Learning | Unseen | CNSE | Cross-PDE transfer after fine-tuning |
| Task | Metric | Ours | Ours (PINN) | DeepONet | FNO | F-FNO | A-FNO | LNO | Poseidon | DPOT |
| Spatiotemporal interpolation | Abs | 0.01218 | 0.01507 | 0.01922 | - | - | - | - | - | - |
| Rel | 0.01643 | 0.02057 | 0.02479 | |||||||
| Rel | 0.04600 | 0.06584 | 0.05980 | |||||||
| Temporal extrapolation | Abs | 0.01474 | 0.01940 | 0.06529 | 0.03302 | 0.02731 | 0.05800 | 0.02876 | 0.14252 | 0.04924 |
| Rel | 0.02261 | 0.02705 | 0.08212 | 0.04058 | 0.03430 | 0.07915 | 0.03665 | 0.15580 | 0.08587 | |
| Rel | 0.08444 | 0.08802 | 0.22802 | 0.09553 | 0.09877 | 0.28905 | 0.10948 | 0.28285 | 0.08587 |
| Coefficients | Task | Metric | Ours | Ours (PINN) | DeepONet | FNO | F-FNO | A-FNO | LNO | Poseidon | DPOT |
| Interpolation | Spatiotemporal interpolation | Abs | 0.01241 | 0.01277 | 0.01347 | - | - | - | - | - | - |
| Rel | 0.01658 | 0.01761 | 0.01731 | ||||||||
| Rel | 0.04274 | 0.05503 | 0.04114 | ||||||||
| Temporal extrapolation | Abs | 0.08957 | 0.08709 | 0.11918 | 0.11625 | 0.11194 | 0.12220 | 0.11085 | 0.17740 | 0.13879 | |
| Rel | 0.11990 | 0.12465 | 0.14903 | 0.14658 | 0.14348 | 0.18191 | 0.14913 | 0.21340 | 0.15085 | ||
| Rel | 0.29526 | 0.36472 | 0.35196 | 0.28689 | 0.30813 | 0.64429 | 0.33280 | 0.39890 | 0.15085 |
| Evaluation dataset | Task | Metric | Ours | Ours (PINN) | DeepONet | FNO | F-FNO | A-FNO | LNO | Poseidon | DPOT |
| Seen | Spatiotemporal interpolation | Abs | 0.00208 | 0.00269 | 0.00271 | - | - | - | - | - | - |
| Rel | 0.00739 | 0.00822 | 0.00997 | ||||||||
| Rel | 0.05897 | 0.06950 | 0.06951 | ||||||||
| Temporal extrapolation | Abs | 0.01548 | 0.01418 | 0.06994 | 0.03271 | 0.02292 | 0.05036 | 0.02902 | 0.02964 | 0.03327 | |
| Rel | 0.03273 | 0.03221 | 0.08319 | 0.05429 | 0.04110 | 0.07436 | 0.05269 | 0.05208 | 0.05860 | ||
| Rel | 0.20590 | 0.24596 | 0.28736 | 0.24954 | 0.24478 | 0.38030 | 0.24832 | 0.25668 | 0.29727 |
| Task | Metric | Ours | Ours (PINN) | DeepONet | FNO | F-FNO | A-FNO | LNO | Poseidon | DPOT |
| Operator learning | Abs | 0.09497 | 0.09429 | 0.17797 | 0.09581 | 0.08734 | 0.13637 | 0.10366 | 0.13313 | 0.09164 |
| Rel | 0.54833 | 0.54369 | 1.09567 | 0.57905 | 0.55420 | 0.65798 | 0.62536 | 0.66904 | 0.67869 | |
| Rel | 0.63533 | 0.63374 | 1.09165 | 0.70708 | 0.72876 | 0.85729 | 0.66936 | 0.92909 | 1.15028 |
Appendix figures & tables31 assets
Supplementary material from the paper’s appendix.
Appendix
| PDE (Section) | Task | Train | Valid | Test | ||
| Context | Query | Context | Query | |||
| Family of 2D CDR equations (Section 4.2 ) | Spatiotemporal interpolation | predefined in | grid at | predefined in | grids at | |
| Temporal extrapolation | grid at | grid at | grid at | grids at | ||
| Unseen coeff temporal extrapolation | - | - | - | grid at | grids at | |
| 2D SWE (Section 4.3.1 ) | Spatiotemporal interpolation | predefined in | grid at | predefined in | grids at | |
| Temporal extrapolation | grid at | grid at | grid at | grids at | ||
| Task | Metric | Ours | Ours (PINN) | Ours (Gaussian 0.02) | Ours (Uniform ) |
| Spatiotemporal interpolation | Abs | 0.01218 | 0.01507 | 0.01244 | 0.01060 |
| Rel | 0.01643 | 0.02057 | 0.01670 | 0.01450 | |
| Rel | 0.04600 | 0.06584 | 0.04659 | 0.04269 | |
| Temporal extrapolation | Abs | 0.01474 | 0.01940 | 0.01562 | 0.01513 |
| Rel | 0.02261 | 0.02705 | 0.02383 | 0.02320 | |
| Rel | 0.08444 | 0.08802 | 0.08750 | 0.08213 |
| Task | Metric | Ours | Ours (PINN) | DeepONet | FNO | F-FNO | A-FNO | LNO | Poseidon | DPOT |
| Spatiotemporal interpolation | Abs | 0.01953 | 0.02445 | 0.02540 | - | - | - | - | - | |
| Rel | 0.02755 | 0.03467 | 0.03413 | - | - | - | - | - | - | |
| Rel | 0.10158 | 0.10716 | 0.09286 | - | - | - | - | - | - | |
| Temporal extrapolation | Abs | 0.01655 | 0.02099 | 0.06888 | 0.03458 | 0.02816 | 0.05794 | 0.03048 | 0.14018 | 0.05051 |
| Rel | 0.02486 | 0.02893 | 0.08591 | 0.04268 | 0.03582 | 0.07903 | 0.03907 | 0.15380 | 0.08624 | |
| Rel | 0.08830 | 0.09333 | 0.23386 | 0.10203 | 0.10677 | 0.28805 | 0.11730 | 0.28481 | 0.08624 |
| Bias | No noise | 0.1% | 0.5% | 1.0% | 1.5% | 2.0% | 2.5% | 3.0% | 3.5% | 4.0% |
| Abs | 0.01474 | 0.01483 | 0.01472 | 0.01481 | 0.01514 | 0.01572 | 0.01664 | 0.01800 | 0.01985 | 0.02212 |
| Rel | 0.02261 | 0.02271 | 0.02246 | 0.02244 | 0.02271 | 0.02330 | 0.02255 | 0.02573 | 0.02772 | 0.03009 |
| Rel | 0.08444 | 0.08556 | 0.08459 | 0.08426 | 0.08490 | 0.08646 | 0.08901 | 0.09265 | 0.09733 | 0.10276 |
| Coefficients | Task | Metric | Ours | Ours (PINN) | DeepONet | FNO | F-FNO | A-FNO | LNO | Poseidon | DPOT |
| Interpolation | Temporal extrapolation | Abs | 0.00736 | 0.00939 | 0.05139 | 0.10863 | 0.01405 | 0.04695 | 0.01839 | 0.13852 | 0.04610 |
| Rel | 0.00954 | 0.01178 | 0.06179 | 0.14380 | 0.01636 | 0.06227 | 0.02049 | 0.14993 | 0.04676 | ||
| Rel | 0.03193 | 0.03693 | 0.16008 | 0.34858 | 0.03847 | 0.21750 | 0.04512 | 0.26293 | 0.04676 | ||
| Extrapolation | Temporal extrapolation | Abs | 0.01027 | 0.02063 | 0.05514 | 0.03887 | 0.02312 | 0.05013 | 0.02560 | 0.14661 | 0.05186 |
| Rel | 0.01068 | 0.02169 | 0.06450 | 0.05114 | 0.02470 | 0.06351 | 0.02677 | 0.15650 | 0.05189 | ||
| Rel | 0.01661 | 0.03474 | 0.16555 | 0.13713 | 0.04591 | 0.20955 | 0.04911 | 0.27502 | 0.05189 |
| Task | Metric | Ours | DeepONet | FNO | F-FNO | A-FNO | LNO | Poseidon | DPOT |
| Spatiotemporal interpolation | Abs | 0.01339 | 0.07394 | - | - | - | - | - | - |
| Rel | 0.01885 | 0.09376 | |||||||
| Rel | 0.06606 | 0.26320 | |||||||
| Temporal extrapolation | Abs | 0.02017 | 0.03988 | 0.03184 | 0.03371 | 0.08342 | 0.04696 | 0.09397 | 0.12628 |
| Rel | 0.02929 | 0.05282 | 0.04160 | 0.04192 | 0.09967 | 0.06282 | 0.10352 | 0.13633 | |
| Rel | 0.10793 | 0.17487 | 0.12671 | 0.10980 | 0.27716 | 0.18313 | 0.23855 | 0.13633 |
| Task | Metric | Ours | Ours (PINN) | DeepONet | FNO | F-FNO | A-FNO | LNO | Poseidon | DPOT |
| Spatiotemporal interpolation | Abs | 0.1599 | 0.1513 | 0.1401 | - | - | - | - | - | - |
| Rel | 0.2005 | 0.1884 | 0.2177 | |||||||
| Rel | 0.4253 | 0.3874 | 0.6944 | |||||||
| Temporal extrapolation | Abs | 0.0432 | 0.0553 | 0.0788 | 0.0492 | 0.0449 | 0.0710 | 0.0480 | 0.1581 | 0.0720 |
| Rel | 0.0578 | 0.0719 | 0.0985 | 0.0641 | 0.0578 | 0.0940 | 0.0603 | 0.1766 | 0.2117 | |
| Rel | 0.1588 | 0.1667 | 0.2706 | 0.1750 | 0.1591 | 0.3008 | 0.1631 | 0.3449 | 0.2117 |
| Metric | Ours | Ours (PINN) | DeepONet | Oformer |
| Abs | 0.11047 | 0.10755 | 0.23160 | 0.12039 |
| Rel | 0.18831 | 0.18357 | 0.44101 | 0.19744 |
| Rel | 0.33584 | 0.32887 | 0.73076 | 0.32318 |
| Metric | Ours | Ours (PINN) | DeepONet | FNO | F-FNO | A-FNO | LNO | Poseidon | DPOT |
| Abs | 0.00796 | 0.00742 | 0.00996 | 0.00792 | 0.00806 | 0.00906 | 0.01413 | 0.00998 | 0.00726 |
| Rel | 0.28771 | 0.28091 | 0.40759 | 0.29292 | 0.34149 | 0.40357 | 0.51778 | 0.41001 | 0.51505 |
| Rel | 0.39694 | 0.40124 | 0.59057 | 0.46398 | 0.59381 | 0.80674 | 0.61245 | 0.52933 | 0.51505 |
| Task | Metric | Ours | Ours (PINN) | DeepONet | FNO | DPOT |
| Spatiotemporal interpolation | Abs | 0.02685 | 0.02843 | 0.02816 | - | - |
| Rel | 0.03711 | 0.04144 | 0.03981 | |||
| Rel | 0.10938 | 0.12823 | 0.12724 | |||
| Temporal extrapolation | Abs | 0.01031 | 0.01039 | 0.02421 | 0.01521 | 0.01485 |
| Rel | 0.01376 | 0.01391 | 0.03033 | 0.01824 | 0.01638 | |
| Rel | 0.04180 | 0.04545 | 0.11530 | 0.05545 | 0.01638 |
| Metric | Ours | Ours (PINN) | DeepONet | FNO | DPOT |
| Abs | 0.00152 | 0.00177 | 0.01622 | 0.00558 | 0.01458 |
| Rel | 0.02626 | 0.03004 | 0.24546 | 0.08019 | 0.22860 |
| Rel | 0.07482 | 0.10394 | 0.57927 | 0.19076 | 0.26938 |
| Task | Metric | Ours | Ours w.o. agf | Ours w.o. act | Ours w.o. all |
| Spatiotemporal interpolation | Abs | 0.01218 | 0.01242 | 0.01040 | 0.01780 |
| Rel | 0.01643 | 0.01625 | 0.01495 | 0.02281 | |
| Rel | 0.04600 | 0.04297 | 0.04399 | 0.05736 | |
| Temporal extrapolation | Abs | 0.01474 | 0.01776 | 0.01725 | 0.02454 |
| Rel | 0.02261 | 0.02779 | 0.02665 | 0.03437 | |
| Rel | 0.08444 | 0.09554 | 0.09376 | 0.10625 |
| Task | Metric | Ours | Ours w.o. agf | Ours with sinusoidal |
| Spatiotemporal interpolation | Abs | 0.01507 | 0.01667 | 0.01482 |
| Rel | 0.02057 | 0.02171 | 0.02096 | |
| Rel | 0.06584 | 0.05536 | 0.06946 | |
| Temporal extrapolation | Abs | 0.01940 | 0.02105 | 0.02671 |
| Rel | 0.02705 | 0.03030 | 0.04159 | |
| Rel | 0.08802 | 0.09518 | 0.14922 |
| Context length | 1,024 | 2,048 | 4,096 | 8,192 | 12,288 | 16,384 |
| Training time (sec) | 0.104 | 0.102 | 0.101 | 0.107 | 0.136 | 0.165 |
| Training memory (MB) | 280.0 | 329.8 | 420.7 | 617.2 | 800.4 | 987.4 |
| Inference time (sec) | 0.015 | 0.015 | 0.022 | 0.037 | 0.052 | 0.069 |
| Inference memory (MB) | 182.1 | 228.7 | 323.6 | 510.7 | 702.1 | 889.7 |
| Query length | 1,024 | 2,048 | 4,096 | 8,192 | 12,288 | 16,384 |
| Training time (sec) | 0.101 | 0.100 | 0.101 | 0.123 | 0.148 | 0.176 |
| Training memory (MB) | 872.7 | 1010.1 | 1265.4 | 1788.6 | 2303.0 | 2831.2 |
| Inference time (sec) | 0.02 | 0.02 | 0.021 | 0.024 | 0.027 | 0.03 |
| Inference memory (MB) | 242.3 | 270.1 | 323.1 | 433.6 | 540.7 | 648.1 |
| Separation recovery | Rel: | Rel: | |
| 0 | 0.000 | 0.3059 | 0.2649 |
| 4 | 0.073 0.195 | 0.3041 0.0021 | 0.2638 0.0012 |
| 16 | 0.270 0.310 | 0.2970 0.0057 | 0.2600 0.0017 |
| 32 | 0.570 0.337 | 0.2874 0.0060 | 0.2550 0.0013 |
| 64 | 0.887 0.342 | 0.2692 0.0109 | 0.2465 0.0025 |
| Context time | Abs | Rel | Rel |
| 0.45 | 0.01458 | 0.02199 | 0.08245 |
| 0.50 | 0.01437 | 0.02165 | 0.08024 |
| 0.60 | 0.01474 | 0.02261 | 0.08444 |
| 0.65 | 0.01604 | 0.02472 | 0.09530 |
| Model | Periodic BC RMSE | Relative periodic BC error |
| DeepONet | 0.07097 | 0.06898 |
| PDE-PFN | 0.02081 | 0.02119 |
| Task | Model | Abs | Rel | Rel |
| Seen coefficients: spatiotemporal interpolation | PDE-PFN | 0.01218 | 0.01643 | 0.04600 |
| GNOT | 0.01477 | 0.01928 | 0.04619 | |
| Seen coefficients: temporal extrapolation | PDE-PFN | 0.01474 | 0.02261 | 0.08444 |
| GNOT | 0.02377 | 0.03126 | 0.08807 | |
| Coefficient interpolation: spatiotemporal interpolation | PDE-PFN | 0.01241 | 0.01658 | 0.04274 |
| GNOT | 0.01269 | 0.01657 | 0.03930 |
| Task | Model | Abs | Rel | Rel |
| Seen initial conditions: spatiotemporal interpolation | PDE-PFN | 0.00208 | 0.00739 | 0.05897 |
| GNOT | 0.00317 | 0.00816 | 0.06265 | |
| Seen initial conditions: temporal extrapolation | PDE-PFN | 0.01548 | 0.03273 | 0.20590 |
| GNOT | 0.03076 | 0.07564 | 0.42872 | |
| Unseen initial conditions: spatiotemporal interpolation | PDE-PFN | 0.00213 | 0.00754 | 0.05986 |
| GNOT | 0.00317 | 0.00818 | 0.06233 |
| Model | Abs | Rel | Rel |
| PDE-PFN | 0.09497 | 0.54833 | 0.63533 |
| GNOT | 0.09601 | 0.57140 | 0.65714 |
| Metric | Seen Coeffcient | Coeff Interpolation | Coeff Extrapolation | |||
| Spatiotemporal Interpolation | Temporal Extrapolation | Spatiotemporal Interpolation | Temporal Extrapolation | Spatiotemporal Interpolation | Temporal Extrapolation | |
| Abs | 0.01218 0.00218 | 0.01474 0.00346 | 0.01241 0.00170 | 0.08957 0.01627 | 0.01661 0.00132 | 0.01027 0.00348 |
| Rel | 0.01643 0.00250 | 0.02261 0.00449 | 0.01658 0.00176 | 0.11990 0.02624 | 0.02398 0.00202 | 0.01068 0.00443 |
| Rel | 0.04600 0.00383 | 0.08444 0.01088 | 0.04274 0.00036 | 0.29526 0.08702 | 0.08324 0.00441 | 0.01661 0.01137 |
| Model | Number of parameters | inference time per sample(s) | GPU memory usage(MB) |
| Ours | 4,488,873 | 0.24 | 26.64 |
| DeepONet | 723,969 | 0.01 | 11.06 |
| FNO | 143,268,097 | 0.10 | 1098.86 |
| F-FNO | 23,631,105 | 0.02 | 98.47 |
| A-FNO | 7,155,472 | 0.08 | 35.62 |
| LNO | 5,337,857 | 0.08 | 24.85 |
| PDE | Task | Train | Valid | Test | ||
| Context | Query | Context | Query | |||
| Family of 2D CDR equations | Spatiotemporal interpolation | 6,144 | 1,024 | 1,024 | 1,024 | 4,096 |
| Temporal extrapolation | 6,144 | 1,024 | 1,024 | 1,024 | 4,096 | |
| Unseen coeff temporal extrapolation | - | - | - | 1,024 | 4,096 | |
| SWE | Spatiotemporal interpolation | 98,304 | 16,384 | 16,384 | 16,384 | 65,536 |
| Temporal extrapolation | 98,304 | 16,384 | 16,384 | 16,384 | 65,536 | |
| Model | Hyperparameter Name | Family of 2D CDR equations | SWE | ||
| Spatiotemporal interpolation | Temporal extrapolation | Spatiotemporal interpolation | Temporal extrapolation | ||
| Ours | Attention layers number | 16 | |||
| Attention hidden dimension | 64 | ||||
| Attention head number | 5 | ||||
| FFE dimension | 0 | ||||
| AGF depth | 15 | ||||
| Model | Hyperparameter Name | CNSE | Darcy Flow |
| Ours | Attention layers number | 16 | |
| Attention hidden dimension | 64 | ||
| Attention head number | 5 | ||
| FFE dimension | 0 | 3 | |
| AGF depth | 15 | ||
| En/Decoder hidden dimension | 512 | ||
| Model | Hyperparameter Name | Operator Learining |
| Ours | Attention layers number | 16 |
| Attention hidden dimension | 64 | |
| Attention head number | 5 | |
| FFE dimension | 2 | |
| AGF depth | 15 | |
| En/Decoder hidden dimension | 512 |
Neural PDE Solvers
Neural PDE solvers use trainable models to approximate solutions or solution operators for partial differential equations, often with physical constraints.
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