Authors: Zhiwei Gao, Liu Yang, George Em Karniadakis
Organizations: Division of Applied Mathematics, Brown University, Providence, RI, USA · Department of Mathematics, National University of Singapore, Singapore
Existing evaluations of neural operators and in-context operator learning rely primarily on prediction error, but accurate output prediction does not guarantee the correct local dynamical structure. A model may match solutions while exhibiting incorrect sensitivities, distorted frequency response, spurious mode coupling, or unstable tangent behavior. We introduce a Jacobian-based spectral audit for in-context operator learning. For a fixed prompt, we differentiate the network output with respect to the query function and view the resulting Jacobian as a learned tangent operator. Projecting it onto Fourier modes, we obtain a local spectral characterization of the inferred operator, including frequency-dependent gains, phase structure, and cross-mode coupling. The audit complements standard prediction metrics by testing whether the model reproduces local mechanisms of the underlying PDE operator rather than only outputs. Across benchmarks, the audit reveals distinct operator-level phenomena, including phase transport, viscosity-dependent damping, nonlinear mode coupling, and reaction--diffusion stability structure. It also detects failures partially hidden by prediction-error metrics, including high-frequency degradation, incorrect phase recovery, and prompt--operator inconsistencies. Corrupted or internally inconsistent prompts lead to degraded tangent-operator structure even when pointwise predictions remain partially accurate. Our results suggest that prediction accuracy and local operator fidelity are distinct properties of learned neural operators. Our framework also provides a diagnostic for stability, sensitivity, and operator consistency.
Neural operators have emerged as powerful surrogates for solving partial differential equations (PDEs), yet their reliability under distribution shift remains a critical barrier to deployment. Existing approaches to out-of-distribution (OOD) generalization in operator learning are largely empirical and black-box: they report aggregate error metrics without explaining why errors arise or when they will grow. We propose a structure-preserving framework that makes OOD generalization predictable and auditable. Our key idea is to parameterize the learned solution operator as a spectral filter hθ(λ) acting on the eigenvalues of the underlying elliptic operator, implemented via Chebyshev polynomial expansions and trained with a weak-form objective. This parameterization admits an exact decomposition of the energy-norm error into two observable components: a model-dependent spectral approximation term and a distribution-dependent spectral weighting term induced by the input. From this decomposition we derive three diagnostics: a conservative in-band supremum \varepssup, a global RMS proxy \varepsrms, and a sample-dependent effective metric \varepseff(f). These diagnostics can be computed without access to ground-truth solutions. Through four controlled experiments, we show that \varepseff(f)∥f∥ consistently predicts energy error under in-distribution, in-band spectral shift, out-of-band tail, and compound shifts, whereas global metrics can be systematically misleading. Our framework shifts OOD assessment of neural operators from black-box benchmarking to operator-structure diagnostics, providing a practical route to auditable scientific machine learning.
We introduce ELADO (Elliptic PDE Assessment Datasets for Operator Learning), a systematic benchmark suite constructed to show and quantify failure modes of neural operator architectures when learning solution operators of elliptic PDEs. While the benchmarks of existing datasets focus on average case performance, the ELADO datasets are constructed to highlight challenges that arise naturally in elliptic PDE problems. In particular, we construct several datasets built around Poisson's equation and the Helmholtz equation, each with non-constant coefficients. We define a controllable data-generating process to create datasets, that are designed to isolate a distinct source of difficulty. Specifically, these are (1) heavy-tailed solution distributions arising from light-tailed coefficient field distributions, (2) spectral distribution shift of the input data, (3) heavy-tailed distributions in the frequency domain of solutions, arising from light-tailed coefficient field distributions, (4) input sensitivity of learned operators, quantified by an empirical local Lipschitz analysis, and (5) the effect of input signal complexity on prediction accuracy under controlled amplitude normalization. We evaluate several neural operator architectures across all datasets and show that heavy-tailed targets, spectral shift, and input sensitivity each cause substantial degradation of the prediction accuracy that standard datasets and metrics (e.g., the mean relative L2 error) may obscure.
Neural operators learn mappings between function spaces, but are typically developed with dense input-output training fields and fully observed inputs at inference. Many scientific problems require instead predicting solution fields from sparse, irregular, or partial observations under uncertainty. We introduce Neural Operator Processes (NOPs), a framework that unifies neural-process conditioning with neural-operator decoding to predict full output fields from limited context. NOPs condition on sparse joint input-output observations and support deterministic and probabilistic prediction within a shared encoder-decoder architecture. We study two conditioning strategies, convolutional pooled summaries and query-aligned attention, and analyze how their interaction with latent stochastic variables depends on PDE geometry. Across function regression and three PDE benchmarks, we find that sparse conditional operator learning is viable and can match dense-grid behavior in several regimes, that preserving local context-query geometry is essential in non-periodic settings but less so in spectrally smooth periodic regimes, and that uncertainty-aware operator learning succeeds when latent conditioning complements rather than overwrites the local geometric pathway. These results provide a basis for probabilistic operator learning under partial observations and help bridge operator learning and probabilistic meta-learning in function space.