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Solving high-dimensional partial differential equations (PDEs) is a critical challenge where modern data-driven solvers often lack reliability and rigorous error guarantees. We introduce Simulation-Calibrated Scientific Machine Learning…

Numerical Analysis · Mathematics 2025-12-25 Zexi Fan , Yan Sun , Shihao Yang , Yiping Lu

(Partial) differential equations (PDEs) are fundamental tools for describing natural phenomena, making their solution crucial in science and engineering. While traditional methods, such as the finite element method, provide reliable…

Machine Learning · Computer Science 2025-03-11 Viggo Moro , Luiz F. O. Chamon

Partial differential equations (PDEs) govern a wide range of physical systems, but solving them efficiently remains a major challenge. The idea of a scientific foundation model (SciFM) is emerging as a promising tool for learning…

Machine Learning · Computer Science 2025-03-26 Amin Totounferoush , Serge Kotchourko , Michael W. Mahoney , Steffen Staab

Traditional data-driven deep learning models often struggle with high training costs, error accumulation, and poor generalizability in complex physical processes. Physics-informed deep learning (PiDL) addresses these challenges by…

Machine Learning · Computer Science 2024-01-17 Xin-Yang Liu , Min Zhu , Lu Lu , Hao Sun , Jian-Xun Wang

Physics-informed neural networks (PINNs) incorporate physical laws into their training to efficiently solve partial differential equations (PDEs) with minimal data. However, PINNs fail to guarantee adherence to conservation laws, which are…

Machine Learning · Computer Science 2024-10-24 Anthony Baez , Wang Zhang , Ziwen Ma , Subhro Das , Lam M. Nguyen , Luca Daniel

This paper presents an energy-preserving machine learning method for inferring reduced-order models (ROMs) by exploiting the multi-symplectic form of partial differential equations (PDEs). The vast majority of energy-preserving…

Machine Learning · Computer Science 2024-09-17 Süleyman Yıldız , Pawan Goyal , Peter Benner

Physics-informed machine learning (PIML) has emerged as a promising alternative to conventional numerical methods for solving partial differential equations (PDEs). PIML models are increasingly built via deep neural networks (NNs) whose…

Machine Learning · Computer Science 2024-09-30 Carlos Mora , Amin Yousefpour , Shirin Hosseinmardi , Ramin Bostanabad

Partial differential equations (PDEs) are among the most universal and parsimonious descriptions of natural physical laws, capturing a rich variety of phenomenology and multi-scale physics in a compact and symbolic representation. This…

Machine Learning · Computer Science 2023-03-31 Steven L. Brunton , J. Nathan Kutz

This work is concerned with discovering the governing partial differential equation (PDE) of a physical system. Existing methods have demonstrated the PDE identification from finite observations but failed to maintain satisfying results…

Numerical Analysis · Mathematics 2023-02-09 Pongpisit Thanasutives , Takashi Morita , Masayuki Numao , Ken-ichi Fukui

Nonlinear conservation laws govern a broad class of important physical systems in science and industry and are central to scientific machine learning (SciML). Large general-purpose models offer speed, but replacing the numerical and…

Machine Learning · Computer Science 2026-05-19 J. Antonio Lara Benitez , Kareem Hegazy , Junyi Guo , Ivan Dokmanić , Michael W. Mahoney , Maarten V. de Hoop

Physics-informed machine learning (PIML) integrates partial differential equations (PDEs) into machine learning models to solve inverse problems, such as estimating coefficient functions (e.g., the Hamiltonian function) that characterize…

Computational Physics · Physics 2025-11-07 Yoh-ichi Mototake , Makoto Sasaki

Recent advances in scientific machine learning (SciML) have enabled neural operators (NOs) to serve as powerful surrogates for modeling the dynamic evolution of physical systems governed by partial differential equations (PDEs). While…

Machine Learning · Computer Science 2026-02-18 Siying Ma , Mehrdad M. Zadeh , Mauricio Soroco , Wuyang Chen , Jiguo Cao , Vijay Ganesh

We develop a combined machine learning (ML) and quantum mechanics approach that enables data-efficient reconstruction of flexible molecular force fields from high-level ab initio calculations, through the consideration of fundamental…

Computational Physics · Physics 2021-04-14 Stefan Chmiela , Huziel E. Sauceda , Alexandre Tkatchenko , Klaus-Robert Müller

Scientific Machine Learning (SciML) is concerned with the development of learned emulators of physical systems governed by partial differential equations (PDE). In application domains such as weather forecasting, molecular dynamics, and…

Machine Learning · Computer Science 2023-07-24 Makoto Takamoto , Francesco Alesiani , Mathias Niepert

In many scientific fields, the generation and evolution of data are governed by partial differential equations (PDEs) which are typically informed by established physical laws at the macroscopic level to describe general and predictable…

Methodology · Statistics 2025-07-01 Ziyuan Chen , Shunxing Yan , Fang Yao

Stochastic Partial Differential Equations (SPDEs) driven by random noise play a central role in modeling physical processes with rough spatio-temporal dynamics, such as turbulence flows, superconductors, and quantum dynamics. Although…

Machine Learning · Computer Science 2026-05-18 Yuantu Zhu , Zheyan Li , Dai Shi , Luke Thompson , Oliver Nash , Jose Miguel Lara Rangel , Siran Li , Bingguang Chen , Rongchan Zhu , Qi Meng , Hao Ni

Existing work in scientific machine learning (SciML) has shown that data-driven learning of solution operators can provide a fast approximate alternative to classical numerical partial differential equation (PDE) solvers. Of these, Neural…

Machine Learning · Computer Science 2024-06-13 S. Chandra Mouli , Danielle C. Maddix , Shima Alizadeh , Gaurav Gupta , Andrew Stuart , Michael W. Mahoney , Yuyang Wang

Recent progress in scientific machine learning (SciML) has opened up the possibility of training novel neural network architectures that solve complex partial differential equations (PDEs). Several (nearly data free) approaches have been…

Since its introduction in 2017, physics-informed deep learning (PIDL) has garnered growing popularity in understanding the evolution of systems governed by physical laws in terms of partial differential equations (PDEs). However, empirical…

Machine Learning · Computer Science 2023-02-27 Archie J. Huang , Shaurya Agarwal

Scientific Machine Learning (SciML) integrates physics and data into the learning process, offering improved generalization compared with purely data-driven models. Despite its potential, applications of SciML in prognostics remain limited,…

Machine Learning · Computer Science 2025-11-04 Ibai Ramirez , Jokin Alcibar , Joel Pino , Mikel Sanz , David Pardo , Jose I. Aizpurua
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