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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…

Efficiently solving Poisson equations on complex, irregular domains remains a fundamental challenge in scientific computing, as classical iterative solvers often suffer from prohibitive runtime due to ill-conditioned systems. While neural…

Machine Learning · Computer Science 2026-05-26 Bocheng Zeng , Rui Zhang , Runze Mao , Mengtao Yan , Xuan Bai , Yang Liu , Zhi X. Chen , Hao Sun

Reasoning system dynamics is one of the most important analytical approaches for many scientific studies. With the initial state of a system as input, the recent graph neural networks (GNNs)-based methods are capable of predicting the…

Machine Learning · Computer Science 2023-10-23 Lingbing Guo , Weiqing Wang , Zhuo Chen , Ningyu Zhang , Zequn Sun , Yixuan Lai , Qiang Zhang , Huajun Chen

We introduce a neural network (NN) strictly governed by Newton's Law, with the nature required basis functions derived from the fundamental classic mechanics. Then, by classifying the training model as a quick procedure of 'force pattern'…

Machine Learning · Computer Science 2018-10-18 Junqing Qiu , Guoren Zhong , Yihua Lu , Kun Xin , Huihuan Qian , Xi Zhu

Model predictive control (MPC) is a powerful framework for optimal control of dynamical systems. However, MPC solvers suffer from a high computational burden that restricts their application to systems with low sampling frequency. This…

Optimization and Control · Mathematics 2025-03-12 Casian Iacob , Hany Abdulsamad , Simo Särkkä

Embedding nonlinear dynamical systems into artificial neural networks is a powerful new formalism for machine learning. By parameterizing ordinary differential equations (ODEs) as neural network layers, these Neural ODEs are…

Machine Learning · Computer Science 2024-10-28 Mikko Lehtimäki , Lassi Paunonen , Marja-Leena Linne

Continuous-time (CT) modeling has proven to provide improved sample efficiency and interpretability in learning the dynamical behavior of physical systems compared to discrete-time (DT) models. However, even with numerous recent…

Machine Learning · Computer Science 2023-01-24 Gerben I. Beintema , Maarten Schoukens , Roland Tóth

Quasi-static time series (QSTS) simulations have great potential for evaluating the grid's ability to accommodate the large-scale integration of distributed energy resources. However, as grids expand and operate closer to their limits,…

Continuous-time neural processes are performant sequential decision-makers that are built by differential equations (DE). However, their expressive power when they are deployed on computers is bottlenecked by numerical DE solvers. This…

Neural surrogates for stiff differential-algebraic equations (DAEs) face two barriers: soft-constraint methods leave algebraic residuals that stiffness amplifies into errors, and hard-constraint methods require trajectory data from stiff…

Machine Learning · Computer Science 2026-04-28 Huy Hoang Le , Haoguang Wang , Christian Moya , Marcos Netto , Guang Lin

We present a novel approach to accelerate iterative methods to solve nonlinear Schr\"odinger eigenvalue problems using neural networks. Nonlinear eigenvector problems are fundamental in quantum mechanics and other fields, yet conventional…

Numerical Analysis · Mathematics 2025-07-23 Daniel Peterseim , Jan-F. Pietschmann , Jonas Püschel , Kilian Ruess

A promising application of machine learning is the creation of low-cost surrogate models to mitigate computational bottlenecks in quantum many-body simulations. Here, we explore whether a neural network (NN) can be trained in the low-data…

Strongly Correlated Electrons · Physics 2026-04-28 Rohan Nain , Philip M. Dee , Kipton Barros , Steven Johnston , Thomas A. Maier

Accurate thermal emission models of neutron stars are essential for constraining the dense matter equation of state. However, incorporating realistic magnetic field structures is computationally prohibitive, severely constraining feasible…

Neural networks (NNs) offer a path towards synthesizing and interpreting data on faster timescales than traditional physics-informed computational models. In this work we develop two neural networks relevant to equilibrium and shape control…

Plasma Physics · Physics 2022-07-06 J. T. Wai , M. D. Boyer , E. Kolemen

We study the applicability of a Deep Neural Network (DNN) approach to simulate one-dimensional non-relativistic fluid dynamics. Numerical fluid dynamical calculations are used to generate training data-sets corresponding to a broad range of…

Computational Physics · Physics 2021-06-08 Kirill Taradiy , Kai Zhou , Jan Steinheimer , Roman V. Poberezhnyuk , Volodymyr Vovchenko , Horst Stoecker

Numerical solvers for PDEs often struggle to balance computational cost with accuracy, especially in multiscale and time-dependent systems. Neural operators offer a promising way to accelerate simulations, but their practical deployment is…

Machine Learning · Computer Science 2025-08-12 Wei Wang , Maryam Hakimzadeh , Haihui Ruan , Somdatta Goswami

We propose a novel neural preconditioned Newton (NP-Newton) method for solving parametric nonlinear systems of equations. To overcome the stagnation or instability of Newton iterations caused by unbalanced nonlinearities, we introduce a…

Numerical Analysis · Mathematics 2025-11-13 Youngkyu Lee , Shanqing Liu , Jerome Darbon , George Em Karniadakis

Numerical simulations provide key insights into many physical, real-world problems. However, while these simulations are solved on a full 3D domain, most analysis only require a reduced set of metrics (e.g. plane-level concentrations). This…

Computational Physics · Physics 2025-11-27 Tingkai Xue , Chin Chun Ooi , Zhengwei Ge , Fong Yew Leong , Hongying Li , Chang Wei Kang

Constrained optimization problems appear in a wide variety of challenging real-world problems, where constraints often capture the physics of the underlying system. Classic methods for solving these problems rely on iterative algorithms…

Systems and Control · Electrical Eng. & Systems 2023-06-13 Meiyi Li , Soheil Kolouri , Javad Mohammadi

Time-dependent partial differential equations are a significant class of equations that describe the evolution of various physical phenomena over time. One of the open problems in scientific computing is predicting the behaviour of the…

Numerical Analysis · Mathematics 2025-06-30 Zhenyi Zhu , Yuchen Huang , Liu Liu
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