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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…

数值分析 · 数学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

数值分析 · 数学 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…

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…

计算物理 · 物理学 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…

机器学习 · 计算机科学 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…

计算物理 · 物理学 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…

机器学习 · 计算机科学 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…

统计方法学 · 统计学 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…

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…

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…

机器学习 · 计算机科学 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,…

机器学习 · 计算机科学 2025-11-04 Ibai Ramirez , Jokin Alcibar , Joel Pino , Mikel Sanz , David Pardo , Jose I. Aizpurua
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