Neural PDE solvers can achieve low prediction errors, but do they reproduce the dynamics of the systems they model? Prediction scores alone offer an incomplete answer: they measure agreement with reference solutions but provide limited insight into how errors accumulate, nearby states diverge, or extreme events arise. We propose an evaluation framework that directly examines these behaviors in deterministic and stochastic neural solvers. By evolving ensembles of nearby initial states and comparing them with direct numerical simulation, we assess three complementary aspects of learned dynamics: error formation, ensemble geometry, and extreme events. Experiments on two-dimensional Kolmogorov flow reveal limitations that conventional scores can obscure. Smaller trajectory errors can reflect weaker error amplification despite less accurate local updates. Models can match an ensemble's overall spread and effective dimension while failing to capture the spatial directions where nearby states diverge. Similarly, matching overall event frequencies can conceal failures to predict persistent extreme events. These findings show that improved prediction accuracy does not necessarily imply greater dynamical fidelity. Our framework makes this distinction measurable, providing concrete criteria for evaluating whether advances in neural PDE solvers better capture the underlying dynamics.
Neural surrogate models offer fast approximate mappings from PDE parameters to solutions, but they typically treat solving as a purely statistical task: once trained, they struggle to correct their own constraint violations and extrapolate beyond the training distribution. Recent hybrid methods promote physical correctness by targeting the PDE residual via gradient descent or Gauss--Newton steps, but inherit the compute cost and instability of the underlying classical optimizers. We show, theoretically and empirically, that numerically minimizing the PDE residual can be an unreliable proxy for reconstruction accuracy in ill-conditioned systems, explaining why these methods often do not make accurate predictions despite achieving low residuals. We propose error-conditioned Neural Solvers (ENS), built on a different principle: rather than an optimization target, the PDE residual field is passed as a direct input to the network at each iteration, enabling it to read the spatial structure of its own errors and learn an update policy to iteratively correct its predictions. Across four PDE families, ENS attains the highest prediction accuracy in the large majority of settings, with gains reaching 10× on turbulent Kolmogorov flow, while avoiding the expensive compute cost of hybrid methods. ENS's learned correction policy generalizes under distribution shift, including zero-shot parameter changes and cross-equation transfer, where its relative advantage is largest in the ill-conditioned regimes where residual minimization is least reliable. Project website: https://neuralsolver.github.io/.
Haina Jiang, Liam Wang, Peng-Chen Chen +4
University of Michigan · KAIST AI · Los Alamos National Laboratory
Neural surrogate solvers of partial differential equations (PDEs) promise dramatic speedups over numerical methods, especially in scenarios requiring many solves. However, current accuracy-based evaluations do not fully consider two central issues: (1) neural solvers incur substantial up-front costs for data generation, training, and tuning; and (2) classical solvers can also generate low-fidelity solutions at a sufficiently low simulation cost. To explicitly account for these realities and fully incorporate end-to-end costs, we propose an evaluation framework centered on breakeven complexity, a metric that counts the forward solves before a learned solver is cost-effective relative to an error-equivalent traditional solver. To evaluate this measure, we apply scaling laws to determine how much training budget to allocate to data generation and discuss how to achieve smooth error-matching in diverse settings. We evaluate the breakeven complexity of multiple neural PDE solvers on three PDEs on 2D periodic domains from APEBench and a novel benchmark of flows past multiple obstacles generated by the GPU-native PyFR code. Among other findings, our results suggest that neural PDE solvers become more effective as problems get harder in terms of cost, dimension, rollout, physics regime (e.g. higher Reynolds number), etc.
Neural PDE surrogates are trained on numerical solver outputs that contain both physical evolution and solver-specific discretization errors. Because surrogates are also evaluated against held-out trajectories from the same solver, standard benchmarks cannot distinguish fidelity to the exact evolution from imitation of the numerical scheme. We introduce an empirical Fourier-symbol diagnostic that probes a trained surrogate's linearized one-step operator with individual Fourier modes and compares it with both exact-evolution and training-scheme references. To address architectural spectral bias, we train identical networks on schemes with orthogonal dissipative and dispersive signatures and compare their learned operators. In linear advection, the learned surrogates reproduce the training schemes' amplitude and phase errors, with the twin-scheme difference reaching more than 99.8% of the analytically predicted full-imitation ceiling. The same behavior occurs for a non-local Fourier neural operator and at the operator level for nonlinear Burgers dynamics. These results show that agreement with solver-generated test data does not by itself establish fidelity to the exact evolution. Fourier-symbol measurements provide a direct diagnostic of numerical provenance.
Ridham Patel
Computer Science & Engineering Indian Institute of Technology Gandhinagar Gandhinagar, India