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Partial differential equations (PDEs) are central to describing complex physical system simulations. Their expensive solution techniques have led to an increased interest in deep neural network based surrogates. However, the practical…

Machine Learning · Computer Science 2022-11-17 Jayesh K. Gupta , Johannes Brandstetter

Stochastic differential equations (SDEs) are used to describe a wide variety of complex stochastic dynamical systems. Learning the hidden physics within SDEs is crucial for unraveling fundamental understanding of these systems' stochastic…

Machine Learning · Computer Science 2022-07-26 Jared O'Leary , Joel A. Paulson , Ali Mesbah

Differential algebraic equations (DAEs) describe the temporal evolution of systems that obey both differential and algebraic constraints. Of particular interest are systems that contain implicit relationships between their components, such…

Machine Learning · Computer Science 2025-07-23 James Koch , Madelyn Shapiro , Himanshu Sharma , Draguna Vrabie , Jan Drgona

Despite the promise of scientific machine learning (SciML) in combining data-driven techniques with mechanistic modeling, existing approaches for incorporating hard constraints in neural differential equations (NDEs) face significant…

Machine Learning · Computer Science 2025-05-28 Avik Pal , Alan Edelman , Christopher Rackauckas

Partial differential equations (PDEs) are ubiquitous in the world around us, modelling phenomena from heat and sound to quantum systems. Recent advances in deep learning have resulted in the development of powerful neural solvers; however,…

Artificial Intelligence · Computer Science 2023-11-13 Yolanne Yi Ran Lee

Physics-informed neural networks (PINNs) are an increasingly powerful way to solve partial differential equations, generate digital twins, and create neural surrogates of physical models. In this manuscript we detail the inner workings of…

Learning and solving governing equations of a physical system, represented by partial differential equations (PDEs), from data is a central challenge in a variety of areas of science and engineering. Traditional numerical methods for…

Machine Learning · Computer Science 2024-06-10 Anran Jiao , Haiyang He , Rishikesh Ranade , Jay Pathak , Lu Lu

We introduce the Neural Preconditioning Operator (NPO), a novel approach designed to accelerate Krylov solvers in solving large, sparse linear systems derived from partial differential equations (PDEs). Unlike classical preconditioners that…

Computational Engineering, Finance, and Science · Computer Science 2025-02-10 Zhihao Li , Di Xiao , Zhilu Lai , Wei Wang

PDE-Constrained Optimization (PDECO) problems can be accelerated significantly by employing gradient-based methods with surrogate models like neural operators compared to traditional numerical solvers. However, this approach faces two key…

Machine Learning · Computer Science 2025-06-17 Ze Cheng , Zhuoyu Li , Xiaoqiang Wang , Jianing Huang , Zhizhou Zhang , Zhongkai Hao , Hang Su

The scientific computation methods development in conjunction with artificial intelligence technologies remains a hot research topic. Finding a balance between lightweight and accurate computations is a solid foundation for this direction.…

Machine Learning · Computer Science 2025-07-03 Nikita Sakovich , Dmitry Aksenov , Ekaterina Pleshakova , Sergey Gataullin

By learning the mappings between infinite function spaces using carefully designed neural networks, the operator learning methodology has exhibited significantly more efficiency than traditional methods in solving complex problems such as…

Numerical Analysis · Mathematics 2023-03-06 Ziyuan Liu , Haifeng Wang , Hong Zhang , Kaijuna Bao , Xu Qian , Songhe Song

We introduce Neural Parameter Regression (NPR), a novel framework specifically developed for learning solution operators in Partial Differential Equations (PDEs). Tailored for operator learning, this approach surpasses traditional DeepONets…

Machine Learning · Computer Science 2024-03-20 Konrad Mundinger , Max Zimmer , Sebastian Pokutta

Foundation models for partial differential equations (PDEs) have emerged as powerful surrogates pre-trained on diverse physical systems, but adapting them to new downstream tasks remains challenging due to limited task-specific data and…

Machine Learning · Computer Science 2026-03-17 Vlad Medvedev , Leon Armbruster , Christopher Straub , Georg Kruse , Andreas Rosskopf

Optimal control problems with nonsmooth objectives and nonlinear partial differential equation (PDE) constraints are challenging, mainly because of the underlying nonsmooth and nonconvex structures and the demanding computational cost for…

Optimization and Control · Mathematics 2025-04-25 Yongcun Song , Xiaoming Yuan , Hangrui Yue , Tianyou Zeng

Classical neural ODEs trained with explicit methods are intrinsically limited by stability, crippling their efficiency and robustness for stiff learning problems that are common in graph learning and scientific machine learning. We present…

Machine Learning · Computer Science 2024-12-17 Hong Zhang , Ying Liu , Romit Maulik

In this paper, we address the issue of modeling and estimating changes in the state of the spatio-temporal dynamical systems based on a sequence of observations like video frames. Traditional numerical simulation systems depend largely on…

Machine Learning · Computer Science 2024-02-12 Kun Wang , Hao Wu , Guibin Zhang , Junfeng Fang , Yuxuan Liang , Yuankai Wu , Roger Zimmermann , Yang Wang

Neural networks have shown promising potential in accelerating the numerical simulation of systems governed by partial differential equations (PDEs). Different from many existing neural network surrogates operating on high-dimensional…

Machine Learning · Computer Science 2025-01-09 Zijie Li , Saurabh Patil , Francis Ogoke , Dule Shu , Wilson Zhen , Michael Schneier , John R. Buchanan, , Amir Barati Farimani

Neural Ordinary Differential Equations (NODEs) use a neural network to model the instantaneous rate of change in the state of a system. However, despite their apparent suitability for dynamics-governed time-series, NODEs present a few…

Machine Learning · Computer Science 2021-08-18 Alexander Norcliffe , Cristian Bodnar , Ben Day , Jacob Moss , Pietro Liò

Solving partial differential equations (PDEs) efficiently and accurately remains a cornerstone challenge in science and engineering, especially for problems involving complex geometries and limited labeled data. We introduce a Physics- and…

Machine Learning · Computer Science 2025-08-14 Subhankar Sarkar , Souvik Chakraborty

Neural networks have shown great potential in accelerating the solution of partial differential equations (PDEs). Recently, there has been a growing interest in introducing physics constraints into training neural PDE solvers to reduce the…

Machine Learning · Computer Science 2023-05-30 Xinquan Huang , Wenlei Shi , Qi Meng , Yue Wang , Xiaotian Gao , Jia Zhang , Tie-Yan Liu