Neural Operators

Neural operators have emerged as powerful data-driven surrogates for learning solution operators of parametric partial differential equations (PDEs). However, widely used Fourier Neural Operators (FNOs) rely on global Fourier representations, which can be inefficient for resolving anisotropic structures, sharp gradients, and spatially localized discontinuities that arise in shock-dominated and multiscale regimes. To address these limitations, we introduce the Shearlet Neural Operator (SNO), a neural operator architecture that replaces the Fourier transform with a shearlet-based representation. Shearlets offer directional, multiscale, and spatially localized atoms with near-optimal sparse approximation of anisotropic features, providing an inductive bias aligned with PDE solutions containing edges, fronts, and shocks. SNO learns in the shearlet domain and reconstructs predictions via the inverse transform, retaining efficient spectral computation while improving locality and directional selectivity. Across seven benchmark PDE families, including strongly anisotropic advection, anisotropic diffusion, and nonlinear conservation laws with straight, curved, interacting, spiral, and polygonal shock structures, SNO consistently improves predictive accuracy and feature fidelity over FNO baselines, with the largest gains observed in anisotropic and discontinuity-dominated settings.

Understanding how complex systems respond to perturbations, such as whether they will remain stable or what their most sensitive patterns are, is a fundamental challenge across science and engineering. Traditional stability and receptivity (resolvent) analyses are powerful but rely on known equations and linearization, limiting their use in nonlinear or poorly modeled systems. Here, we introduce a data-driven framework that automatically identifies stability properties and optimal forcing responses from observation data alone, without requiring governing equations. By training a neural network as a dynamics emulator and using automatic differentiation to extract its Jacobian, we can compute eigenmodes and resolvent modes directly from data. We demonstrate the method on both canonical chaotic models and high-dimensional fluid flows, successfully identifying dominant instability modes and input-output structures even in strongly nonlinear regimes. By leveraging a neural network-based emulator, we readily obtain a nonlinear representation of system dynamics while additionally retrieving intricate dynamical patterns that were previously difficult to resolve. This equation-free methodology establishes a broadly applicable tool for analyzing complex, high-dimensional datasets, with immediate relevance to grand challenges in fields such as climate science, neuroscience, and fluid engineering.

Neural operators are widely used to approximate solution maps of complex physical systems. In many applications, however, the goal is not to recover the full solution trajectory, but to summarize the solution trajectory via a scalar target quantity (e.g., a functional such as time spent in a target range, time above a threshold, accumulated cost, or total energy). In this paper, we introduce DOPE (debiased neural operator): a semiparametric estimator for such target quantities of solution trajectories obtained from neural operators. DOPE is broadly applicable to settings with both partial and irregular observations and can be combined with arbitrary neural operator architectures. We make three main contributions. (1) We show that, in contrast to DOPE, naive plug-in estimation can suffer from first-order bias. (2) To address this, we derive a novel one-step, Neyman-orthogonal estimator that treats the neural operator as a high-dimensional nuisance mapping between function spaces, and removes the leading bias term. For this, DOPE uses a weighting mechanism that simultaneously accounts for irregular observation designs and for how sensitive the target quantity is to perturbations of the underlying trajectory. (3) To learn the weights, we extend automatic debiased machine learning to operator-valued nuisances via Riesz regression. We demonstrate the benefits of DOPE across various numerical experiments.

The multi-scale and non-linear nature of phase-field models of solidification requires fine spatial and temporal discretization, leading to long computation times. This could be overcome with artificial-intelligence approaches. Surrogate models based on neural operators could have a lower computational cost than conventional numerical discretization methods. We propose a new neural operator approach that bridges classical convex-concave splitting schemes with physics-informed learning to accelerate the simulation of phase-field models. It consists of a Deep Ritz method, where a neural operator is trained to approximate a variational formulation of the phase-field model. By training the neural operator with an energy-splitting variational formulation, we enforce the energy dissipation property of the underlying models. We further introduce a custom Reaction-Diffusion Neural Operator (RDNO) architecture, adapted to the operators of the model equations. We successfully apply the deep learning approach to the isotropic Allen-Cahn equation and to anisotropic dendritic growth simulation. We demonstrate that our physically-informed training provides better generalization in out-of-distribution evaluations than data-driven training, while achieving faster inference than traditional Fourier spectral methods.

We prove error bounds for operator surrogates of solution operators for partial differential and boundary integral equations on families of domains which are diffeomorphic to one common reference (or latent) domain $D_{ref}$. The pullback of the PDE to $D_{ref}$ via affine-parametric shape encoding produces a collection of holomorphic parametric PDEs on $D_{ref}$. Sufficient conditions for (uniformly with respect to the parameter) well-posedness are given, implying existence, uniqueness and stability of parametric solution families on $D_{ref}$. We illustrate the abstract hypotheses by reviewing recent holomorphy results for a suite of elliptic and parabolic PDEs. Quantified parametric holomorphy implies existence of finite-parametric, discrete approximations of the parametric solution families with convergence rates in terms of the number $N$ of parameters. We obtain constructive proofs of existence of Neural and Spectral Operator surrogates for the shape-to-solution maps with error bounds and convergence rate guarantees uniform on the collection of admissible shapes. We admit principal-component shape encoders and frame decoders. Our results support in particular the (empirically reported) ability of neural operators to realize data-to-solution maps for elliptic and parabolic PDEs and BIEs that generalize across parametric families of shapes.

Developing neural operators that accurately predict the behavior of systems governed by partial differential equations (PDEs) across unseen parameter regimes is crucial for robust generalization in scientific and engineering applications. In practical applications, variations in physical parameters induce distribution shifts between training and prediction regimes, making extrapolation a central challenge. As a result, the way parameters are incorporated into neural operator models plays a key role in their ability to generalize, particularly when state and parameter representations are entangled. In this work, we introduce the Late Fusion Neural Operator, an architecture that disentangles learning state dynamics from parameter effects, improving predictive performance both within and beyond the training distribution. Our approach combines neural operators for learning latent state representations with sparse regression to incorporate parameter information in a structured manner. Across four benchmark PDEs including advection, Burgers, and both 1D and 2D reaction-diffusion equations, the proposed method consistently outperforms Fourier Neural Operator and CAPE-FNO. Late Fusion Neural Operators achieve consistently the best performance in all experiments, with an average RMSE reduction of 72.9% in-domain and 71.8% out-domain compared to the second-best method. These results demonstrate strong generalization across both in-domain and out-domain parameter regimes.

Neural operators (NOs) are powerful deep learning frameworks designed to learn solution operators of partial differential equations. This study evaluates the ability of NOs' to capture the stiff spatio-temporal dynamics of the FitzHugh-Nagumo model. A key contribution of this study is the assessment of the translation invariance using a novel training strategy. Models are trained using an applied current with varying spatial locations and intensities at a fixed time, while the test set presents a challenging out-of-distribution scenario where the current is translated in both time and space. This approach significantly reduces dataset generation costs. We benchmark seven NO architectures: Convolutional Neural Operators (CNOs), Deep Operator Networks (DeepONets), DeepONets with CNN encoders, Proper Orthogonal Decomposition DeepONets, Fourier Neural Operators (FNOs), Tucker Tensorized FNOs, and Local Neural Operators. We evaluated these models based on their accuracy, efficiency, and inference speed. These results demonstrate that CNOs generalize well to translated test dynamics, whereas other architectures do not generalize well. On the training set, all architectures achieve comparable accuracy, with FNOs achieving the highest precision. However, this higher accuracy comes at an elevated computational cost. Meanwhile, DeepONets and their variants exhibit superior training and inference efficiency. These findings highlight the capabilities and limitations of NOs in modeling complex ionic dynamics and provide a comprehensive benchmark for scenarios involving translated dynamics.

Partial differential equations (PDEs) govern complex systems, yet neural operators often struggle to efficiently capture the long-range, nonlocal interactions inherent in their solution maps. We introduce Spectral Filtering Operator (SFO), a neural operator that parameterizes integral kernels using the Universal Spectral Basis (USB), a fixed, global orthonormal basis derived from the eigenmodes of the Hilbert matrix in spectral filtering theory. Motivated by our theoretical finding that the discrete Green's functions of shift-invariant PDE discretizations exhibit spatial Linear Dynamical System (LDS) structure, we prove that these kernels admit compact approximations in the USB. By learning only the spectral coefficients of rapidly decaying eigenvalues, SFO achieves a highly efficient representation. Across six benchmarks, including reaction-diffusion, fluid dynamics, and 3D electromagnetics, SFO achieves state-of-the-art accuracy, reducing error by up to 40% relative to strong baselines while using substantially fewer parameters.

Neural operators are widely used as fast surrogates for numerical PDE solvers, mapping input functions to solution functions. However, their generalizability and robustness are not yet clearly defined in the operator-learning setting, which differs from traditional adversarial robustness definitions. This paper studies the generalizability and robustness of a learned neural operator from a solver-integrated perspective, addressing the challenge that the output of a learned operator and a numerical solver tends to change in tandem under input perturbation. First, we formalize the definition of generalization and robustness through a model-solver error operator, identifying fixed-input model-solver loss as generalization metric, and norm-bounded adversarial attack loss increase and Jacobian-error function norm as robustness metric. Second, we identify the solver-integrated adversarial attack as appropriate for PDE operator learning and show why model-only or fixed-ground-truth attacks can be insufficient when the solver output also changes with the input. Third, we develop solver-integrated adversarial training methods for neural operators. Experiments on representative PDE benchmarks show that this solver-integrated adversarial training clearly improves both generalizability and robustness. Deeper solver integration yields more effective attacks, more informative samples, and more efficient training than less integrated alternatives. These results provide a general framework for robust operator training and automatic sample selection without heavy manual intervention. More broadly, the formulation applies to adversarial regression whenever a ground-truth oracle can evaluate, and ideally differentiate, the true input-output map; PDE operator learning is one such case.

This review examines neural operator architectures for learning solution operators of parametric partial differential equations (PDEs), with an emphasis on conceptual clarity and practical implementation. The work analyzes key models, including DeepONet, PCANet, and the Fourier Neural Operator, highlighting their underlying representations, computational structures, and comparative performance. These architectures are demonstrated on three canonical PDE problems: the Poisson equation, a linear elasticity problem, and a hyperelasticity problem. To make the presentation self-contained, key foundational topics are introduced, including finite-dimensional representations of function spaces, singular-value decomposition, and sampling from infinite-dimensional function spaces. Beyond forward modeling, the review discusses the use of neural operators as surrogate models within a Bayesian inverse-problem framework, including prior specification, forward-map approximation, and posterior computation. The performance of the three neural-operator architectures is evaluated on in-distribution samples, out-of-distribution samples, and Bayesian inference tasks. The review also discusses challenges related to prediction accuracy and generalization, outlining emerging strategies such as residual-based error correction and multi-level training. The review concludes by positioning neural operators within broader scientific-computing workflows and by identifying directions for reliable, scalable operator learning.

Surrogate models of parametric dynamical systems are essential for many-query and real-time predictions in engineering applications such as design optimization and digital twins. However, generating high-fidelity (HF) training data over a broad range of parameters and operating conditions remains computationally expensive. To address this challenge, we propose a Bayesian multi-fidelity Laplace neural operator (MF-LNO) for uncertainty-aware active learning of oscillatory parametric PDEs. Specifically, the proposed Bayesian MF-LNO iteratively calibrates the discrepancy between low- and high-fidelity data, where predictive uncertainty guides the adaptive acquisition of informative HF trajectories. Such predictive uncertainty is quantified via replica-exchange stochastic gradient Langevin dynamics (reSGLD), whose broad posterior exploration enables uncertainty to serve as an error indicator for adaptive HF sample acquisition. Numerical experiments on the Lorenz system, Duffing oscillator, and beam dynamics demonstrate that uncertainty-guided HF sample acquisition consistently outperforms random sampling, while the proposed Bayesian MF-LNO achieves higher prediction accuracy than MF-DeepONet with predictive uncertainty quantification. These results demonstrate that Bayesian multi-fidelity LNOs, combined with uncertainty-guided active learning, provide a data-efficient framework for operator learning in engineering dynamical systems.

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.

Neural operator (NO) architectures learn nonlinear maps between infinite-dimensional function spaces and are widely used to accelerate simulation and enable data-driven model discovery. While universality results ensure expressivity, they do not address \emph{complexity}: for broad operator classes described only through regularity (e.g.\ uniform continuity or $C^r$-regularity), information-theoretic lower bounds imply that minimax-optimal NO approximation rates scale \emph{exponentially} in the reciprocal accuracy $1/\varepsilon$. This has shifted the focus of NO theory toward identifying additional problem-specific structure, beyond regularity, under which suitably tailored NO architectures can leverage to unlock polynomial scaling in $1/\varepsilon$. We exhibit the first polynomial-scaling regime for NO approximations of solution operators in stochastic analysis; by identifying structured families of \emph{non-Markovian} BSDEs with randomized terminal condition parameterized by the Sobolev-regular terminal condition and by Sobolev-regular additive nonlinear perturbations of the generator. We prove that their solution operator can be approximated (uniformly over the family) by a tailored NO whose number of trainable parameters grows \emph{polynomially} in $1/\varepsilon$. We unlock this polynomial scaling regime by \emph{informing the NO's inductive bias} by factoring out the singular part of the associated semilinear elliptic PDE Green's function and by incorporating the Doléans--Dade exponential of the BSDE's common non-Markovian factor into the NO's decoding layers. As a byproduct, we extend polynomial-scaling guarantees from families of linear elliptic PDEs on regular domains to the semilinear setting.