PDE Operator Learning

PDE: Partial Differential Equation

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Overview

PDE operator learning studies how to approximate solution maps that take functions or physical parameters—such as initial conditions, coefficients, and boundary data—and return PDE solution fields. It aims to make repeated simulation faster for tasks including forecasting, design, inverse problems, and control, using approaches such as Fourier neural operators, DeepONets, attention and graph models, and kernel methods. Researchers also use physics-informed losses, multiscale representations, and structure-preserving constraints to improve accuracy, efficiency, and physical consistency. A central challenge is reliable generalization across unseen geometries, resolutions, frequencies, and parameter regimes while maintaining stable long-term predictions; strong in-distribution accuracy alone does not guarantee it.

Latest papers

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231 papers36 papers in the last four weeks, up 44% on the four weeks before. 0.2% of all new papers.

Feb 27, 2026

A Boundary Integral-based Neural Operator for Mesh Deformation

This paper presents an efficient mesh deformation method based on boundary integration and neural operators, formulating the problem as a linear elasticity boundary value problem (BVP). To overcome the high computational cost of traditional finite element methods and the limitations of existing neural operators in handling Dirichlet boundary conditions for vector fields, we introduce a direct boundary integral representation using a Dirichlet-type Green's tensor. This formulation expresses the internal displacement field solely as a function of boundary displacements, eliminating the need to solve for unknown tractions. Building on this, we design a Boundary-Integral-based Neural Operator (BINO) that learns the geometry- and material-aware Green's traction kernel. A key technical advantage of our framework is the mathematical decoupling of the physical integration process from the geometric representation via geometric descriptors. While this study primarily demonstrates robust generalization across diverse boundary conditions, the architecture inherently possesses potential for cross-geometry adaptation. Numerical experiments, including large deformations of flexible beams and rigid-body motions of NACA airfoils, confirm the model's high accuracy and strict adherence to the principles of linearity and superposition. The results demonstrate that the proposed framework ensures mesh quality and computational efficiency, providing a reliable new paradigm for parametric mesh generation and shape optimization in engineering.

Zhengyu Wu, Jun Liu, Wei Wang

School of Electronics and Information Engineering, Hangzhou Dianzi University, Hangzhou, China

Neural OperatorsPDE Operator LearningPDE SolvingDeformable Object Simulation
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Feb 25, 2026

From Basis to Basis: Gaussian Particle Representation for Interpretable PDE Operators

Learning PDE dynamics for fluids increasingly relies on neural operators and Transformer-based models, yet these approaches often lack interpretability and struggle with localized, high-frequency structures while incurring quadratic cost in spatial samples. We propose representing fields with a Gaussian basis, where learned atoms carry explicit geometry (centers, anisotropic scales, weights) and form a compact, mesh-agnostic, directly visualizable state. Building on this representation, we introduce a Gaussian Particle Operator that acts in modal space: learned Gaussian modal windows perform a Petrov-Galerkin measurement, and PG Gaussian Attention enables global cross-scale coupling. This basis-to-basis design is resolution-agnostic and achieves near-linear complexity in N for a fixed modal budget, supporting irregular geometries and seamless 2D-to-3D extension. On standard PDE benchmarks and real datasets, our method attains state-of-the-art competitive accuracy while providing intrinsic interpretability.

Zhihao Li, Yu Feng, Zhilu Lai +1

The Hong Kong University of Science and Technology (Guangzhou), Guangzhou, China · The Hong Kong University of Science and Technology, Hong Kong SAR, China

PDE Operator LearningNeural OperatorsComputational Fluid Dynamics
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Feb 22, 2026

Spectral bias in physics-informed and operator learning: Analysis and mitigation guidelines

Solving partial differential equations (PDEs) by neural networks as well as Kolmogorov-Arnold Networks (KANs), including physics-informed neural networks (PINNs), physics-informed KANs (PIKANs), and neural operators, are known to exhibit spectral bias, whereby low-frequency components of the solution are learned significantly faster than high-frequency modes. While spectral bias is often treated as an intrinsic representational limitation of neural architectures, its interaction with optimization dynamics and physics-based loss formulations remains poorly understood. In this work, we provide a systematic investigation of spectral bias in physics-informed and operator learning frameworks, with emphasis on the coupled roles of network architecture, activation functions, loss design, and optimization strategy. We quantify spectral bias through frequency-resolved error metrics, Barron-norm diagnostics, and higher-order statistical moments, enabling a unified analysis across elliptic, hyperbolic, and dispersive PDEs. Through diverse benchmark problems, including the Korteweg-de Vries, wave and steady-state diffusion-reaction equations, turbulent flow reconstruction, and earthquake dynamics, we demonstrate that spectral bias is not simply representational but fundamentally dynamical. In particular, second-order optimization methods substantially alter the spectral learning order, enabling earlier and more accurate recovery of high-frequency modes for all PDE types. For neural operators, we further show that spectral bias is dependent on the neural operator architecture and can also be effectively mitigated through spectral-aware loss formulations without increasing the inference cost.

Siavash Khodakarami, Vivek Oommen, Nazanin Ahmadi Daryakenari +2

Division of Applied Mathematics, Brown University, Providence, RI 02912, USA · School of Engineering, Brown University, Providence, RI 02912, USA

Spectral BiasPhysics-Informed MLPDE Operator Learning
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Feb 20, 2026

Neural-HSS: Hierarchical Semi-Separable Neural PDE Solver

Deep learning-based methods have shown remarkable effectiveness in solving PDEs, largely due to their ability to enable fast simulations once trained. However, despite the availability of high-performance computing infrastructure, many critical applications remain constrained by the substantial computational costs associated with generating large-scale, high-quality datasets and training models. In this work, inspired by studies on the structure of Green's functions for elliptic PDEs, we introduce Neural-HSS, a parameter-efficient architecture built upon the Hierarchical Semi-Separable (HSS) matrix structure that is provably data-efficient for a broad class of PDEs. We theoretically analyze the proposed architecture, proving that it satisfies exactness properties even in very low-data regimes. We also investigate its connections with other architectural primitives, such as the Fourier neural operator layer and convolutional layers. We experimentally validate the data efficiency of Neural-HSS on the three-dimensional Poisson equation over a grid of two million points, demonstrating its superior ability to learn from data generated by elliptic PDEs in the low-data regime while outperforming baseline methods. Finally, we demonstrate its capability to learn from data arising from a broad class of PDEs in diverse domains, including electromagnetism, fluid dynamics, and biology.

Pietro Sittoni, Emanuele Zangrando, Angelo A. Casulli +2

Gran Sasso Science Institute, L’Aquila, Italy · University of Edinburgh, UK

Neural PDE SolversPDE Operator LearningData-Efficient Learning
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Feb 19, 2026

Solving and learning advective multiscale Darcian dynamics with the Neural Basis Method

Physics-governed models are increasingly paired with machine learning for accelerated predictions, yet most "physics--informed" formulations treat the governing equations as a penalty loss whose scale and meaning are set by heuristic balancing. This blurs operator structure, thereby confounding solution approximation error with governing-equation enforcement error and making the solving and learning progress hard to interpret and control. Here we introduce the Neural Basis Method, a projection-based formulation that couples a predefined, physics-conforming neural basis space with an operator-induced residual metric to obtain a well-conditioned deterministic minimization. Stability and reliability then hinge on this metric: the residual is not merely an optimization objective but a computable certificate tied to approximation and enforcement, remaining stable under basis enrichment and yielding reduced coordinates that are learnable across parametric instances. We use advective multiscale Darcian dynamics as a concrete demonstration of this broader point. Our method produce accurate and robust solutions in single solves and enable fast and effective parametric inference with operator learning.

Yuhe Wang, Min Wang

Institute for Scientific Computation, Texas A&M University, College Station, TX 77843, USA · Department of Mathematics, University of Houston, Houston, TX 77204, USA

Neural PDE SolversPhysics-Informed MLPDE Operator LearningNeural Surrogate ModelingComputational Fluid Dynamics
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Feb 18, 2026

Geometric Neural Operators via Lie Group-Constrained Latent Dynamics

Neural operators offer an effective framework for learning solutions of partial differential equations for many physical systems in a resolution-invariant and data-driven manner. Existing neural operators, however, often suffer from instability in multi-layer iteration and long-horizon rollout, which stems from the unconstrained Euclidean latent space updates that violate the geometric and conservation laws. To address this challenge, we propose to constrain manifolds with low-rank Lie algebra parameterization that performs group action updates on the latent representation. Our method, termed Manifold Constraining based on Lie group (MCL), acts as an efficient plug-and-play module that enforces geometric inductive bias to existing neural operators. Extensive experiments on various partial differential equations, such as 1-D Burgers and 2-D Navier-Stokes, over a wide range of parameters and steps demonstrate that our method effectively lowers the relative prediction error by 30-50% at the cost of 2.26% of parameter increase. The results show that our approach provides a scalable solution for improving long-term prediction fidelity by addressing the principled geometric constraints absent in the neural operator updates.

Jiaquan Zhang, Fachrina Dewi Puspitasari, Songbo Zhang +7

School of Information and Software Engineering, University of Electronic Science and Technology of China, Chengdu, China · Computer Science and Engineering, University of Electronic Science and Technology of China, Chengdu, China · Institute of Software Chinese Academy of Sciences, Beijing, China +2

Neural PDE SolversPDE Operator LearningNeural OperatorsLie Group Methods
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Feb 17, 2026

Flowers: A Warp Drive for Neural PDE Solvers

We introduce Flowers, a neural architecture for learning PDE solution operators built entirely from multihead warps. Aside from pointwise channel mixing and a multiscale scaffold, Flowers use no Fourier multipliers, no dot-product attention, and no convolutional mixing. Each head predicts a displacement field and warps the mixed input features. Motivated by physics and computational efficiency, displacements are predicted pointwise, without any spatial aggregation, and nonlocality enters only through sparse sampling at source coordinates, one per head. Stacking warps in multiscale residual blocks yields Flowers, which implement adaptive, global interactions at linear cost. We theoretically motivate this design through three complementary lenses: flow maps for conservation laws, waves in inhomogeneous media, and a kinetic-theoretic continuum limit. Flowers achieve excellent performance on a broad suite of 2D and 3D time-dependent PDE benchmarks, particularly flows and waves. A compact 17M-parameter model consistently outperforms Fourier, convolution, and attention-based baselines of similar size, while a 150M-parameter variant improves over recent transformer-based foundation models with much more parameters, data, and training compute.

Till Muser, Alexandra Spitzer, Matti Lassas +2

Department of Mathematics and Computer Science, University of Basel, Basel, Switzerland · Department of Mathematics and Statistics, University of Helsinki, Helsinki, Finland · Simons Chair in Computational and Applied Mathematics and Earth Science, Rice University, Houston, TX, USA

Neural PDE SolversPDE Surrogate ModelingPDE Operator LearningNeural Operators
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Feb 17, 2026

Fluids You Can Trust: Property-Preserving Operator Learning for Incompressible Flows

We present a novel property-preserving kernel-based operator learning method for incompressible flows governed by the incompressible Navier--Stokes equations. Traditional numerical solvers incur significant computational costs to respect incompressibility. Operator learning offers efficient surrogate models, but current neural operators fail to exactly enforce physical properties such as incompressibility, periodicity, and turbulence. Our kernel method maps input functions to expansion coefficients of output functions in a property-preserving kernel basis, ensuring that predicted velocity fields analytically and simultaneously preserve the aforementioned physical properties. We present universal approximation results and worst-case a priori convergence rates for our framework; empirically, the observed convergence rates exceed the pessimistic predictions across most benchmarks, motivating a formulation of more optimistic convergence rates. Another central contribution of this work is a novel computational framework revolving around streaming construction of kernel Gramians and recursive Schur-complement algorithms to solve the large block linear systems arising from property-preserving kernel methods. This kernel-based framework makes operator learning practical at scales up to 10,00010{,}000 training functions sampled at up to 10,00010{,}000 spatial locations. We evaluate the method on challenging 2D and 3D, laminar and turbulent, incompressible flow problems. Our method achieves up to six orders of magnitude lower relative ℓ2\ell_2 errors upon generalization and trains up to five orders of magnitude faster compared to neural operators. Moreover, while our method enforces incompressibility analytically, neural operators exhibit large divergence errors. Our results show that our method provides an accurate and efficient surrogate for incompressible flows.

Ramansh Sharma, Matthew Lowery, Houman Owhadi +1

Kahlert School of Computing University of Utah UT, USA · Department of Computing and Mathematical Sciences California Institute of Technology CA, USA

PDE Operator LearningOperator LearningComputational Fluid Dynamics
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Feb 16, 2026

PDE foundation models are skillful AI weather emulators for the Martian atmosphere

We show that AI foundation models that are pretrained on numerical solutions to a diverse corpus of partial differential equations can be adapted and fine-tuned to obtain skillful predictive weather emulators for the Martian atmosphere. We base our work on the Poseidon PDE foundation model for two-dimensional systems. We develop a method to extend Poseidon from two to three dimensions while keeping the pretraining information. Moreover, we investigate the performance of the model in the presence of sparse initial conditions. Our results make use of four Martian years (approx.~34 GB) of training data and a median compute budget of 13 GPU hours. We find that the combination of pretraining and model extension yields a performance increase of 34.4% on a held-out year. This shows that PDEs-FMs can not only approximate solutions to (other) PDEs but also anchor models for real-world problems with complex interactions that lack a sufficient amount of training data or a suitable compute budget.

Johannes Schmude, Sujit Roy, Liping Wang +10

IBM Research · NASA Marshall Space Flight Center, Huntsville, Al, USA · Earth System Science Center, University of Alabama in Huntsville, Al, USA +1

PDE Foundation ModelsWeather ForecastingPDE Surrogate ModelingPDE Operator LearningClimate Science
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Feb 4, 2026

Transolver-3: Scaling Up Transformer Solvers to Industrial-Scale Geometries

Deep learning has emerged as a transformative tool for the neural surrogate modeling of partial differential equations (PDEs), known as neural PDE solvers. However, scaling these solvers to industrial-scale geometries with over 10810^8 cells remains a fundamental challenge due to the prohibitive memory complexity of processing high-resolution meshes. We present Transolver-3, a new member of the Transolver family as a highly scalable framework designed for high-fidelity physics simulations. To bridge the gap between limited GPU capacity and the resolution requirements of complex engineering tasks, we introduce two key architectural optimizations: faster slice and deslice by exploiting matrix multiplication associative property and geometry slice tiling to partition the computation of physical states. Combined with an amortized training strategy by learning on random subsets of original high-resolution meshes and a physical state caching technique during inference, Transolver-3 enables high-fidelity field prediction on industrial-scale meshes. Extensive experiments demonstrate that Transolver-3 can handle meshes with over 160 million cells, achieving impressive performance across three challenging simulation benchmarks, including aircraft and automotive design tasks. Code is available at https://github.com/thuml/Transolver-3.

Hang Zhou, Haixu Wu, Haonan Shangguan +4

School of Software, BNRist, Tsinghua University, China.

Efficient Neural Network InferenceNeural PDE SolversTransformer Neural OperatorPDE Surrogate ModelingPDE Operator LearningNeural Operators
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Jan 23, 2026

SFO: Learning PDE Operators via Spectral Filtering

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.

Noam Koren, Rafael Moschopoulos, Kira Radinsky +1

Department of Computer Science Technion - Israel Institute of Technology · Department of Computer Science Princeton University

PDE Surrogate ModelingPDE Operator LearningSpectral MethodsNeural Operators
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Dec 29, 2025

PGOT: A Physics-Geometry Operator Transformer for Complex PDEs

While Transformers have demonstrated remarkable potential in modeling Partial Differential Equations (PDEs), modeling large-scale unstructured meshes with complex geometries remains a significant challenge. Existing efficient architectures often employ feature dimensionality reduction strategies, which inadvertently induces Geometric Aliasing, resulting in the loss of critical physical boundary information. To address this, we propose the Physics-Geometry Operator Transformer (PGOT), designed to reconstruct physical feature learning through explicit geometry awareness. Specifically, we propose Spectrum-Preserving Geometric Attention (SpecGeo-Attention). Utilizing a ``physics slicing-geometry injection" mechanism, this module incorporates multi-scale geometric encodings to explicitly preserve multi-scale geometric features while maintaining linear computational complexity O(N)O(N). Furthermore, PGOT dynamically routes computations to low-order linear paths for smooth regions and high-order non-linear paths for shock waves and discontinuities based on spatial coordinates, enabling spatially adaptive and high-precision physical field modeling. PGOT achieves consistent state-of-the-art performance across four standard benchmarks and excels in large-scale industrial tasks including airfoil and car designs.

Zhuo Zhang, Xi Yang, Ying Miao +5

National University of Defense Technology · Peking University · National University of Singapore +2

Neural PDE SolversPDE Surrogate ModelingGeometric Representation LearningPDE Operator LearningNeural Operators
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Dec 9, 2025

Spectral Embedding via Chebyshev Bases for Robust DeepONet Approximation

Deep Operator Networks (DeepONets) have emerged as a powerful framework for data-driven operator learning, providing flexible surrogates for nonlinear mappings arising in partial differential equations (PDEs). However, the standard trunk network, which operates directly on raw spatial or spatiotemporal coordinates through fully connected layers, often struggles to represent sharp gradients, boundary layers, and other non-periodic solution structures on bounded domains. To address these limitations, we introduce the Spectral-Embedded Deep Operator Network (SEDONet), a novel DeepONet architecture in which the trunk is driven by a fixed Chebyshev spectral dictionary instead of coordinate inputs. This non-periodic spectral embedding provides a principled inductive bias for bounded domains, enabling the learned operator to capture fine-scale features that are difficult for Fourier-based or MLP-only trunks to represent. SEDONet is evaluated on the 2-D Poisson equation, 1-D Burgers' equation, 1-D advection-diffusion equation, Allen-Cahn equation, Lorenz-96 chaotic system, and Darcy flow, covering elliptic, hyperbolic, parabolic, chaotic, and multiscale problems. Across all benchmarks, SEDONet consistently achieves the lowest or statistically comparable relative L2L^2 errors among DeepONet, FEDONet, and SEDONet, with improvements of up to 54% over the baseline DeepONet and consistent gains over Fourier-embedded variants on bounded, non-periodic problems. Energy spectrum analyses further demonstrate that SEDONet more accurately preserves intermediate- and high-frequency solution structures. The proposed framework provides a simple, parameter-neutral modification to DeepONets, offering a robust and computationally efficient spectral approach for surrogate modeling of nonlinear operators in scientific computing.

Muhammad Abid, Omer San

Department of Mechanical and Aerospace Engineering, University of Tennessee, Knoxville, TN 37996, USA.

PDE Surrogate ModelingPDE Operator LearningSpectral MethodsDeep Operator Networks
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Oct 21, 2025

Solver-Integrated Adversarial Attacking and Training of Neural Operators

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.

Yifei Sun

Adversarial TrainingAdversarial AttacksNeural Network RobustnessAdversarial RobustnessPDE Operator LearningNeural Operators
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Oct 1, 2025

RheOFormer: A generative transformer model for simulation of complex fluids and flows

The ability to model mechanics of soft materials under flowing conditions is key in designing and engineering processes and materials with targeted properties. This generally requires solution of internal stress tensor, related to the deformation tensor through nonlinear and history-dependent constitutive models. Traditional numerical methods for non-Newtonian fluid dynamics often suffer from prohibitive computational demands and poor scalability to new problem instances. Developments in data-driven methods have mitigated some limitations but still require retraining across varied physical conditions. In this work, we introduce Rheological Operator Transformer (RheOFormer), a generative operator learning method leveraging self-attention to efficiently learn different spatial interactions and features of complex fluid flows. We benchmark RheOFormer across a range of different viscometric and non-viscometric flows with different types of viscoelastic and elastoviscoplastic mechanics in complex domains against ground truth solutions. Our results demonstrate that RheOFormer can accurately learn both scalar and tensorial nonlinear mechanics of different complex fluids and predict the spatio-temporal evolution of their flows, even when trained on limited datasets. Its strong generalization capabilities and computational efficiency establish RheOFormer as a robust neural surrogate for accelerating predictive complex fluid simulations, advancing data-driven experimentation, and enabling real-time process optimization across a wide range of applications.

Maedeh Saberi, Amir Barati Farimani, Safa Jamali

Department of Mechanical and Industrial Engineering, Northeastern University, Boston, MA 02115, USA · Department of Mechanical Engineering, Carnegie Mellon University, Pittsburgh, PA 15213, USA

Neural Surrogate ModelingTransformerPDE Operator LearningComputational Fluid Dynamics
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Jul 9, 2025

Discretization-independent operator learning for partial differential equations

We develop a new and general encode-approximate-reconstruct operator learning model that leverages learned neural representations of bases for input and output function distributions. We introduce the concepts of numerical operator learning and discretization independence, which clarify the relationship between theoretical formulations and practical realizations of operator learning models. Our model is discretization-independent, making it particularly effective for multiresolution learning. We establish theoretical approximation guarantees, demonstrating uniform universal approximation under strong assumptions on the input functions and statistical approximation under weaker conditions. To our knowledge, this is the first comprehensive study that investigates how discretization independence enables robust and efficient multiresolution operator learning. We validate our method through extensive numerical experiments involving both local and nonlocal PDEs, including time-independent and time-dependent problems. The results show that multiresolution training significantly improves accuracy and computational efficiency. Moreover, multiresolution training further enhances empirical discretization independence.

Jacob Hauck, Yanzhi Zhang

Department of Mathematics and Statistics, Missouri University of Science and Technology, Rolla, MO 65409

PDE Operator LearningNeural Network Approximation TheoryOperator LearningNeural Operators
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Jun 23, 2025

DPG loss functions for learning parameter-to-solution maps by neural networks

We develop, analyze, and experimentally explore residual-based loss functions for machine learning of parameter-to-solution maps in the context of parameter-dependent families of partial differential equations (PDEs). Our primary concern is on rigorous accuracy certification to enhance the prediction capability of the resulting deep neural network reduced models. This is achieved by the use of variationally correct loss functions. Through one specific example of an elliptic PDE, details for establishing the variational correctness of a loss function from an ultraweak Discontinuous Petrov Galerkin (DPG) discretization are worked out. Despite the focus on the example, the proposed concepts apply to a much wider scope of problems, namely problems for which stable DPG formulations are available. The issue of high-contrast diffusion fields and ensuing difficulties with degrading ellipticity are discussed. Both numerical results and theoretical arguments illustrate that for high-contrast diffusion parameters the proposed DPG loss functions deliver much more robust performance than simpler least-squares losses.

Pablo Cortés Castillo, Wolfgang Dahmen, Jay Gopalakrishnan

PDE SolvingPDE Surrogate ModelingRobust Loss FunctionsPDE Operator LearningPhysics-Informed ML
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May 14, 2025

Latent Evolution Operator (LEO): State-to-State Forecasting of Parametric PDEs

Solving time-dependent parametric partial differential equations (PDEs) with high-fidelity solvers is expensive in multi-query settings. This motivates reduced-order models in latent space. Existing methods are typically either (i) recurrent latent dynamics models, which require step-by-step integration and accumulate error over long horizons, or (ii) neural operators, which enable direct prediction but are usually trained from initial conditions and do not explicitly enforce generalization from intermediate states. We introduce the Latent Evolution Operator (LEO), a parameterized map that takes a state at an arbitrary time, together with physical parameters and a forecast horizon, and predicts the future state in a single latent-space evaluation. Under standard manifold and regularity assumptions, finite-time evolution operators admit an encoder-propagator-decoder decomposition. We approximate this structure using neural networks trained on state pairs sampled across anchor times and horizons. We evaluate the method on the 1D Burgers' equation, a 2D advection-diffusion system, and the shallow-water equations. The model produces accurate predictions across parameters and time horizons, achieves significant speedups compared to Autoencoder-LSTM baselines, and maintains accuracy when initialized from intermediate states. These results indicate that learning finite-time evolution operators in latent space provides an effective alternative to recurrent latent dynamics models and operator learning methods trained only from initial conditions.

Khalid Rafiq, Wenjing Liao, Aditya G. Nair

Department of Mechanical Engineering, University of Nevada, Reno, Reno, USA · School of Mathematics, Georgia Institute of Technology, Atlanta, USA

PDE Surrogate ModelingPDE Operator LearningLatent Dynamics Modeling
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Mar 7, 2025

From Theory to Application: A Practical Introduction to Neural Operators in Scientific Computing

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.

Prashant K. Jha

Department of Mechanical Engineering, South Dakota School of Mines and Technology, Rapid City, SD 57701, USA.

Neural Surrogate ModelingFourier Neural OperatorPDE Operator LearningDeep Operator NetworksNeural Operators
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Feb 1, 2025

Active Learning with Bayesian Multi-Fidelity Laplace Neural Operators for Oscillatory Parametric PDEs

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.

Bongseok Kim, Haoyang Zheng, Michael Penwarden +1

School of Mechanical Engineering, Purdue University, 585 Purdue Mall, West Lafayette, 47907, IN, USA. · Department of Mathematics, Purdue University, 150 North University Street, West Lafayette, 47907, IN, USA.

Dynamical SystemsSurrogate ModelingUncertainty QuantificationActive LearningPDE Operator LearningNeural Operators
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Dec 15, 2021

Exponential Convergence of Deep Operator Networks for Elliptic Partial Differential Equations

We construct and analyze approximation rates of deep operator networks (ONets) between infinite-dimensional spaces that emulate with an exponential rate of convergence the coefficient-to-solution map of elliptic second-order partial differential equations. In particular, we consider problems set in dd-dimensional periodic domains, d=1,2,…d=1, 2, \dots, and with analytic right-hand sides and coefficients. Our analysis covers linear, elliptic second order divergence-form PDEs as, e.g., diffusion-reaction problems, parametric diffusion equations, and elliptic systems such as linear isotropic elastostatics in heterogeneous materials. We leverage the exponential convergence of spectral collocation methods for boundary value problems whose solutions are analytic. In the present periodic and analytic setting, this follows from classical elliptic regularity. Within the ONet branch and trunk construction of [Chen and Chen, 1993] and of [Lu et al., 2021], we show the existence of deep ONets which emulate the coefficient-to-solution map to a desired accuracy in the H1H^1 norm, uniformly over the coefficient set. We prove that the neural networks in the ONet have size O(∣log⁡(ε)∣κ)\mathcal{O}(\left|\log(\varepsilon)\right|^κ), where ε>0\varepsilon>0 is the approximation accuracy, for some κ>0κ>0 depending on the physical space dimension.

Carlo Marcati, Christoph Schwab

Seminar for Applied Mathematics, ETH Zurich, Switzerland

PDE SolvingPDE Operator LearningNeural Network Approximation TheoryDeep Operator Networks
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