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This position paper takes a broad look at Physics-Enhanced Machine Learning (PEML) -- also known as Scientific Machine Learning -- with particular focus to those PEML strategies developed to tackle dynamical systems' challenges. The need to…

Machine Learning · Computer Science 2024-12-30 Alice Cicirello

Machine learning (ML) is shown to predict new alloys and their performances in a high dimensional, multiple-target-property design space that considers chemistry, multi-step processing routes, and characterization methodology variations. A…

Materials Science · Physics 2020-10-12 Sen Liu , Branden B. Kappes , Behnam Amin-ahmadi , Othmane Benafan , Xiaoli Zhang , Aaron P. Stebner

In the past two decades, machine learning potentials (MLP) have reached a level of maturity that now enables applications to large-scale atomistic simulations of a wide range of systems in chemistry, physics and materials science. Different…

Chemical Physics · Physics 2021-07-09 Emir Kocer , Tsz Wai Ko , Jörg Behler

Machine learning (ML) methods can expand our ability to construct, and draw insight from large datasets. Despite the increasing volume of planetary observations, our field has seen few applications of ML in comparison to other sciences. To…

Machine learning is becoming a new paradigm for scientific research in various research fields due to its exciting and powerful capability of modeling tools used for big-data processing task. In this mini-review, we first briefly introduce…

Nuclear Theory · Physics 2023-01-18 Wanbing He , Qingfeng Li , Yugang Ma , Zhongming Niu , Junchen Pei , Yingxun Zhang

An introduction to applied mathematics written for students in engineering and science. Focus is on a rigorous presentation that also builds understanding by discussion, analogy, and examples. Discussion of concepts involved in modeling…

History and Overview · Mathematics 2023-05-10 Brian D Wood

We discuss the emerging advances and opportunities at the intersection of machine learning (ML) and climate physics, highlighting the use of ML techniques, including supervised, unsupervised, and equation discovery, to accelerate climate…

Atmospheric and Oceanic Physics · Physics 2024-08-20 Ching-Yao Lai , Pedram Hassanzadeh , Aditi Sheshadri , Maike Sonnewald , Raffaele Ferrari , Venkatramani Balaji

Large-scale atomistic computer simulations of materials rely on interatomic potentials providing computationally efficient predictions of energy and Newtonian forces. Traditional potentials have served in this capacity for over three…

Materials Science · Physics 2021-06-04 Y. Mishin

Physics-constrained machine learning (PCML) combines physical models with data-driven approaches to improve reliability, generalizability, and interpretability. Although PCML has shown significant benefits in diverse scientific and…

Machine Learning · Computer Science 2025-08-29 Angan Mukherjee , Victor M. Zavala

Electromagnetic (EM) imaging is widely applied in sensing for security, biomedicine, geophysics, and various industries. It is an ill-posed inverse problem whose solution is usually computationally expensive. Machine learning (ML)…

Computational Physics · Physics 2022-07-27 Rui Guo , Tianyao Huang , Maokun Li , Haiyang Zhang , Yonina C. Eldar

Machine learning potentials have revolutionised the field of atomistic simulations in recent years and are becoming a mainstay in the toolbox of computational scientists. This paper aims to provide an overview and introduction into machine…

Chemical Physics · Physics 2024-10-02 Fabian L. Thiemann , Niamh O'Neill , Venkat Kapil , Angelos Michaelides , Christoph Schran

Machine Learning tools are nowadays widely applied extensively to the prediction of the properties of molecular materials, using datasets extracted from high-throughput computational models. In several cases of scientific and technological…

Materials Science · Physics 2021-02-10 Fabio Le Piane , Matteo Baldoni , Francesco Mercuri

Particle learning (PL) provides state filtering, sequential parameter learning and smoothing in a general class of state space models. Our approach extends existing particle methods by incorporating the estimation of static parameters via a…

Methodology · Statistics 2010-11-05 Carlos M. Carvalho , Michael S. Johannes , Hedibert F. Lopes , Nicholas G. Polson

Mathematical descriptions of dynamical systems are deeply rooted in topological spaces defined by non-Euclidean geometry. This paper proposes leveraging structure-rich geometric spaces for machine learning to achieve structural…

Machine Learning · Computer Science 2025-02-20 Zack Xuereb Conti , David J Wagg , Nick Pepper

Recent innovations from machine learning allow for data unfolding, without binning and including correlations across many dimensions. We describe a set of known, upgraded, and new methods for ML-based unfolding. The performance of these…

The use of machine learning in Structural Health Monitoring is becoming more common, as many of the inherent tasks (such as regression and classification) in developing condition-based assessment fall naturally into its remit. This chapter…

Machine Learning · Computer Science 2022-07-01 Elizabeth J Cross , Samuel J Gibson , Matthew R Jones , Daniel J Pitchforth , Sikai Zhang , Timothy J Rogers

Context: Machine learning (ML) may enable effective automated test generation. Objective: We characterize emerging research, examining testing practices, researcher goals, ML techniques applied, evaluation, and challenges. Methods: We…

Software Engineering · Computer Science 2023-04-18 Afonso Fontes , Gregory Gay

Overfitting and generalization is an important concept in Machine Learning as only models that generalize are interesting for general applications. Yet some students have trouble learning this important concept through lectures and…

Machine Learning · Computer Science 2022-09-08 Matias Valdenegro-Toro , Matthia Sabatelli

In this work we offer a framework for reasoning about a wide class of existing objectives in machine learning. We develop a formal correspondence between this work and thermodynamics and discuss its implications.

Machine Learning · Computer Science 2018-10-08 Alexander A. Alemi , Ian Fischer

In these proceedings we perform a brief review of machine learning (ML) applications in theoretical High Energy Physics (HEP-TH). We start the discussion by defining and then classifying machine learning tasks in theoretical HEP. We then…

High Energy Physics - Phenomenology · Physics 2018-01-18 Stefano Carrazza
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