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Deep neural network (DNN) and auto differentiation have been widely used in computational physics to solve variational problems. When DNN is used to represent the wave function to solve quantum many-body problems using variational…

Nuclear Theory · Physics 2023-04-26 Kai-Fang Pu , Hanlin Li , Hong-Liang Lu , Long-Gang Pang

Semiparametric statistics play a pivotal role in a wide range of domains, including but not limited to missing data, causal inference, and transfer learning, to name a few. In many settings, semiparametric theory leads to (nearly)…

Machine Learning · Statistics 2024-08-06 Qinshuo Liu , Zixin Wang , Xi-An Li , Xinyao Ji , Lei Zhang , Lin Liu , Zhonghua Liu

Fast and accurate solutions of time-dependent partial differential equations (PDEs) are of pivotal interest to many research fields, including physics, engineering, and biology. Generally, implicit/semi-implicit schemes are preferred over…

Partial Differential Equations (PDEs) are central to science and engineering. Since solving them is computationally expensive, a lot of effort has been put into approximating their solution operator via both traditional and recently…

Machine Learning · Computer Science 2025-02-14 Alessandro Longhi , Danny Lathouwers , Zoltán Perkó

Neural networks have proven to be efficient surrogate models for tackling partial differential equations (PDEs). However, their applicability is often confined to specific PDEs under certain constraints, in contrast to classical PDE solvers…

Machine Learning · Computer Science 2023-10-03 Hoyun Choi , Sungyeop Lee , B. Kahng , Junghyo Jo

Partial differential equations (PDEs) are a central tool for modeling the dynamics of physical, engineering, and materials systems, but high-fidelity simulations are often computationally expensive. At the same time, many scientific…

Machine Learning · Computer Science 2026-01-14 Binh Duong Nguyen , Stefan Sandfeld

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…

Machine Learning · Computer Science 2026-04-21 Helmut Harbrecht , Christoph Schwab

ADCME is a novel computational framework to solve inverse problems involving physical simulations and deep neural networks (DNNs). This paper benchmarks its capability to learn spatially-varying physical fields using DNNs. We demonstrate…

Numerical Analysis · Mathematics 2020-11-25 Kailai Xu , Eric Darve

This contribution proposes novel data-driven surrogate modeling approaches for parameterized parabolic PDEs, where the parameter dependence can be split into two parts with different decay behavior of the Kolmogorov $N$-width. Such problems…

Numerical Analysis · Mathematics 2026-04-27 Dawid Kotowski , Mario Ohlberger

Evolutionary algorithms are increasingly recognised as a viable computational approach for the automated optimisation of deep neural networks (DNNs) within artificial intelligence. This method extends to the training of DNNs, an approach…

Neural and Evolutionary Computing · Computer Science 2024-03-29 Fergal Stapleton , Brendan Cody-Kenny , Edgar Galván

Neural operators have emerged as promising surrogate models for solving partial differential equations (PDEs), but struggle to generalise beyond training distributions and are often constrained to a fixed temporal discretisation. This work…

Transformer models are increasingly used for solving Partial Differential Equations (PDEs). Several adaptations have been proposed, all of which suffer from the typical problems of Transformers, such as quadratic memory and time complexity.…

Machine Learning · Computer Science 2024-07-16 Jan Hagnberger , Marimuthu Kalimuthu , Daniel Musekamp , Mathias Niepert

Neural operators (NOs) provide a new paradigm for efficiently solving partial differential equations (PDEs), but their training depends on costly high-fidelity data from numerical solvers, limiting applications in complex systems. We…

Computational Physics · Physics 2026-05-18 Wen You , Shaoqian Zhou , Xuhui Meng

Deep models have recently emerged as promising tools to solve partial differential equations (PDEs), known as neural PDE solvers. While neural solvers trained from either simulation data or physics-informed loss can solve PDEs reasonably…

Machine Learning · Computer Science 2025-09-05 Hang Zhou , Yuezhou Ma , Haixu Wu , Haowen Wang , Mingsheng Long

A novel refinement measure for non-intrusive surrogate modelling of partial differential equations (PDEs) with uncertain parameters is proposed. Our approach uses an empirical interpolation procedure, where the proposed refinement measure…

Numerical Analysis · Mathematics 2019-07-10 Yous van Halder , Benjamin Sanderse , Barry Koren

Solving partial differential equations (PDEs) by numerical methods meet computational cost challenge for getting the accurate solution since fine grids and small time steps are required. Machine learning can accelerate this process, but…

Numerical Analysis · Mathematics 2025-01-28 Qi Wang , Yuan Mi , Haoyun Wang , Yi Zhang , Ruizhi Chengze , Hongsheng Liu , Ji-Rong Wen , Hao Sun

Domain decomposition is a technique used to reduce memory overhead on large neutron transport problems. Currently, the optimal load-balanced processor allocation for these domains is typically determined through small-scale simulations of…

Computational Physics · Physics 2025-08-18 Alexander Mote , Todd Palmer , Lizhong Chen

This paper introduces PDEformer-1, a versatile neural solver capable of simultaneously addressing various partial differential equations (PDEs). With the PDE represented as a computational graph, we facilitate the seamless integration of…

Numerical Analysis · Mathematics 2025-01-28 Zhanhong Ye , Xiang Huang , Leheng Chen , Zining Liu , Bingyang Wu , Hongsheng Liu , Zidong Wang , Bin Dong

Ordinary and partial differential equations (DE) are used extensively in scientific and mathematical domains to model physical systems. Current literature has focused primarily on deep neural network (DNN) based methods for solving a…

Neural and Evolutionary Computing · Computer Science 2023-06-21 Hyeonjung , Jung , Jayant Gupta , Bharat Jayaprakash , Matthew Eagon , Harish Panneer Selvam , Carl Molnar , William Northrop , Shashi Shekhar

We further develop a new framework, called PDE Acceleration, by applying it to calculus of variations problems defined for general functions on $\mathbb{R}^n$, obtaining efficient numerical algorithms to solve the resulting class of…

Numerical Analysis · Computer Science 2018-10-02 Minas Benyamin , Jeff Calder , Ganesh Sundaramoorthi , Anthony Yezzi