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The convergence of statistical learning and molecular physics is transforming our approach to modeling biomolecular systems. Physics-informed machine learning (PIML) offers a systematic framework that integrates data-driven inference with…

Biomolecules · Quantitative Biology 2025-11-11 Aaryesh Deshpande

Physics-guided machine learning (PGML) has become a prevalent approach in studying scientific systems due to its ability to integrate scientific theories for enhancing machine learning (ML) models. However, most PGML approaches are tailored…

Machine Learning · Computer Science 2025-02-11 Runlong Yu , Chonghao Qiu , Robert Ladwig , Paul Hanson , Yiqun Xie , Xiaowei Jia

Machine learning (ML) is becoming an increasingly important component of cutting-edge physics research, but its computational requirements present significant challenges. In this white paper, we discuss the needs of the physics community…

Machine Learning (ML) is one of the most exciting and dynamic areas of modern research and application. The purpose of this review is to provide an introduction to the core concepts and tools of machine learning in a manner easily…

Machine Learning (ML) has achieved great successes in recent decades, both in research and in practice. In Cyber-Physical Systems (CPS), ML can for example be used to optimize systems, to detect anomalies or to identify root causes of…

Machine Learning · Computer Science 2021-12-20 Henrik S. Steude , Alexander Windmann , Oliver Niggemann

Many mechanical engineering applications call for multiscale computational modeling and simulation. However, solving for complex multiscale systems remains computationally onerous due to the high dimensionality of the solution space.…

Machine Learning · Computer Science 2023-03-23 Phong C. H. Nguyen , Joseph B. Choi , H. S. Udaykumar , Stephen Baek

Physics-informed machine learning (PIML) is an emerging framework that integrates physical knowledge into machine learning models. This physical prior often takes the form of a partial differential equation (PDE) system that the regression…

Machine Learning · Statistics 2025-07-15 Nathan Doumèche

This paper summarizes some challenges encountered and best practices established in several years of teaching Machine Learning for the Physical Sciences at the undergraduate and graduate level. I discuss motivations for teaching ML to…

Physics Education · Physics 2021-08-20 Viviana Acquaviva

This study presents a comprehensive overview of PIML techniques in the context of condition monitoring. The central concept driving PIML is the incorporation of known physical laws and constraints into machine learning algorithms, enabling…

Machine Learning · Computer Science 2024-01-23 Yuandi Wu , Brett Sicard , Stephen Andrew Gadsden

The intersection of physics and machine learning has given rise to the physics-enhanced machine learning (PEML) paradigm, aiming to improve the capabilities and reduce the individual shortcomings of data- or physics-only methods. In this…

Machine Learning · Computer Science 2024-04-23 Marcus Haywood-Alexander , Wei Liu , Kiran Bacsa , Zhilu Lai , Eleni Chatzi

In recent years, the use of Machine Learning (ML) in computational chemistry has enabled numerous advances previously out of reach due to the computational complexity of traditional electronic-structure methods. One of the most promising…

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

Three recent breakthroughs due to AI in arts and science serve as motivation: An award winning digital image, protein folding, fast matrix multiplication. Many recent developments in artificial neural networks, particularly deep learning…

Machine Learning · Computer Science 2026-05-21 Loc Vu-Quoc , Alexander Humer

The unprecedented amount of data generated from experiments, field observations, and large-scale numerical simulations at a wide range of spatio-temporal scales have enabled the rapid advancement of data-driven and especially deep learning…

Computational Physics · Physics 2024-06-19 Suraj Pawar , Omer San , Aditya Nair , Adil Rasheed , Trond Kvamsdal

In the overview, a generic mathematical object (mapping) is introduced, and its relation to model physics parameterization is explained. Machine learning (ML) tools that can be used to emulate and/or approximate mappings are introduced.…

Atmospheric and Oceanic Physics · Physics 2022-06-22 Vladimir Krasnopolsky , Aleksei A. Belochitski

There is growing interest in using machine learning (ML) methods for structural metamodeling due to the substantial computational cost of traditional simulations. Purely data-driven strategies often face limitations in model robustness,…

Applied Physics · Physics 2024-04-30 R. Bailey Bond , Pu Ren , Jerome F. Hajjar , Hao Sun

Modern large-scale physics experiments create datasets with sizes and streaming rates that can exceed those from industry leaders such as Google Cloud and Netflix. Fully processing these datasets requires both sufficient compute power and…

In recent years the fluid mechanics community has been intensely focused on pursuing solutions to its long-standing open problems by exploiting the new machine learning, (ML), approaches. The exchange between ML and fluid mechanics is…

Fluid Dynamics · Physics 2023-11-28 Michele Buzzicotti

The growing role of data science (DS) and machine learning (ML) in high-energy physics (HEP) is well established and pertinent given the complex detectors, large data, sets and sophisticated analyses at the heart of HEP research. Moreover,…

Deep learning (DL) is one of the fastest growing topics in materials data science, with rapidly emerging applications spanning atomistic, image-based, spectral, and textual data modalities. DL allows analysis of unstructured data and…