Neural operator discovery from heterogeneous trajectories
Authors: Zituo Chen, Qiaofeng Li, Jiaxin Hu, Sili Deng
Abstract
Neural operators provide data-driven mappings for modeling dynamical systems. Extending them to families of systems typically requires explicit conditioning variables such as physical parameters, geometries, or boundary conditions. In many real-world settings, these quantities are unobserved. Here, we formulate neural operator discovery (NOD) as the problem of learning both shared solution operators and system-specific variation directly from heterogeneous trajectories without access to labeled governing factors. We introduce a factorized latent-conditioning formulation that jointly learns a neural operator and a low-dimensional latent representation through factorized prediction, trajectory-decoupled sampling, and dimension selection. Across diverse systems, the learned latent representation captures the intrinsic dimensionality of system variation and organizes system instances in a smooth and approximately invertible latent structure aligned with the underlying governing factors. This organization enables generalization to previously unseen system instances, including zero-shot extrapolation across regimes and stable long-horizon prediction. These results establish an interpretable paradigm for operator learning in the absence of explicit factor supervision.
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.
Physical systems often exhibit heterogeneous mechanisms, where rapidly evolving dynamics coexist with persistent structures. Capturing such multiscale physical behavior remains challenging for existing neural operators, which typically rely on single dominant inductive bias and therefore couple distinct physical responses into a shared representation. We introduce the Unified Green's Function Framework across domains and propose the Factorized Neural Operators (FaNO), which decompose spectral representations into equivariant dynamic responses and invariant persistent responses, leading to better interpretability and generalization. Mechanistically, we show that the two operator branches spontaneously specialize into distinct physical roles that remain consistent across scales and domains: the equivariant branch captures rapidly varying transient dynamics, whereas the invariant branch extracts coherent persistent structures. This factorized mechanism of FaNO improves prediction accuracy, parameter efficiency and cross-scale generalization across physical systems and domains. In particular, it maintains consistent predictions under long-horizon autoregressive rollout, cross-resolution extrapolation and physical-regime shifts. These findings suggest that scalable physical modeling may benefit from moving beyond single-inductive-bias formulations toward factorized operator representations that better reflect the heterogeneous organization of physical systems, accelerating the reliable deployment of machine learning for scientific computing and discovery.
Discovering governing equations from data remains challenging when the underlying dynamics involve nonlocal differential operators, field interactions governed by auxiliary equations, or temporal memory effects. We propose Neural Operator-based symbolic Model approximaTion and discOvery (NOMTO), a framework that extends Equation Learner-type symbolic architectures by incorporating pretrained neural operators as nodes in the symbolic network. NOMTO represents candidate equations as sparse differentiable computational graphs that combine algebraic operations with fixed neural operator surrogates pretrained to approximate nonlinear operators. We evaluate the method on model-discovery problems involving nonlocal spatial operators, couplings mediated by auxiliary field equations, and temporal integral terms representing memory effects. The results show that NOMTO can recover compact governing equations containing nonlocal operator terms, thereby extending symbolic model discovery beyond libraries restricted to local derivatives and point-wise algebraic combinations.