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Machine learning is a rapidly growing field with the potential to revolutionize many areas of science, including physics. This review provides a brief overview of machine learning in physics, covering the main concepts of supervised,…

Machine Learning · Computer Science 2023-10-17 Francisco A. Rodrigues

We present a general class of machine learning algorithms called parametric matrix models. In contrast with most existing machine learning models that imitate the biology of neurons, parametric matrix models use matrix equations that…

Machine Learning · Computer Science 2025-01-07 Patrick Cook , Danny Jammooa , Morten Hjorth-Jensen , Daniel D. Lee , Dean Lee

Applied machine learning (ML) has rapidly spread throughout the physical sciences; in fact, ML-based data analysis and experimental decision-making has become commonplace. We suggest a shift in the conversation from proving that ML can be…

Materials Science · Physics 2021-12-21 Naohiro Fujinuma , Brian L. DeCost , Jason Hattrick-Simpers , Samuel E. Lofland

Machine learning (ML) is a revolutionary technology with demonstrable applications across multiple disciplines. Within the Earth science community, ML has been most visible for weather forecasting, producing forecasts that rival modern…

High-throughput data generation methods and machine learning (ML) algorithms have given rise to a new era of computational materials science by learning relationships among composition, structure, and properties and by exploiting such…

Machine learning (ML) has emerged into formidable force for identifying hidden but pertinent patterns within a given data set with the objective of subsequent generation of automated predictive behavior. In the recent years, it is safe to…

Machine learning can provide deep insights into data, allowing machines to make high-quality predictions and having been widely used in real-world applications, such as text mining, visual classification, and recommender systems. However,…

Machine Learning · Computer Science 2020-08-11 Meng Wang , Weijie Fu , Xiangnan He , Shijie Hao , Xindong Wu

For many decades, experimental solid mechanics has played a crucial role in characterizing and understanding the mechanical properties of natural and novel materials. Recent advances in machine learning (ML) provide new opportunities for…

Machine Learning · Computer Science 2023-09-07 Hanxun Jin , Enrui Zhang , Horacio D. Espinosa

Modeling of physical systems includes extensive use of software packages that implement the accurate finite element method for solving differential equations considered along with the appropriate initial and boundary conditions. When the…

Computational Engineering, Finance, and Science · Computer Science 2018-03-20 O. Kononenko , I. Kononenko

Basic principles of mathematical modeling are reviewed in this book, with the focus on physics and its practical applications, and examples of selected mathematical methods are presented. Most of the models have been imported from physics…

Classical Physics · Physics 2025-07-14 Sergej Pankratow

Machine learning (ML) approaches enable large-scale atomistic simulations with near-quantum-mechanical accuracy. With the growing availability of these methods there arises a need for careful validation, particularly for physically agnostic…

Chemical Physics · Physics 2023-06-06 Joe D. Morrow , John L. A. Gardner , Volker L. Deringer

Machine Learning (ML) has the potential to accelerate discovery of new materials and shed light on useful properties of existing materials. A key difficulty when applying ML in Materials Science is that experimental datasets of material…

Modern machine learning tasks often require considering not just one but multiple objectives. For example, besides the prediction quality, this could be the efficiency, robustness or fairness of the learned models, or any of their…

Machine Learning · Computer Science 2022-08-30 Peter Súkeník , Christoph H. Lampert

Machine learning techniques have found their way into computational chemistry as indispensable tools to accelerate atomistic simulations and materials design. In addition, machine learning approaches hold the potential to boost the…

Chemical Physics · Physics 2025-10-03 Johannes Voss

Over the past decade inter-atomic potentials based on machine-learning (ML) techniques have become an indispensable tool in the atomic-scale modeling of materials. Trained on energies and forces obtained from electronic-structure…

Materials Science · Physics 2022-08-15 Michele Ceriotti

Machine learning (ML) is a promising approach for performing challenging quantum-information tasks such as device characterization, calibration and control. ML models can train directly on the data produced by a quantum device while…

Machine-learned interatomic potentials (MLIPs) and force fields (i.e. interaction laws for atoms and molecules) are typically trained on limited data-sets that cover only a very small section of the full space of possible input structures.…

Numerical Analysis · Mathematics 2022-09-13 Christoph Ortner , Yangshuai Wang

Machine Learning (ML) is increasingly used to construct surrogate models for physical simulations. We take advantage of the ability to generate data using numerical simulations programs to train ML models better and achieve accuracy gain…

Computational Physics · Physics 2021-01-29 Paul Novello , Gaël Poëtte , David Lugato , Pietro Congedo

Machine learning (ML) has emerged as a pervasive tool in science, engineering, and beyond. Its success has also led to several synergies with molecular dynamics (MD) simulations, which we use to identify and characterize the major…

Biomolecules · Quantitative Biology 2022-05-09 Christopher Kolloff , Simon Olsson

The emergence and continued reliance on the Internet and related technologies has resulted in the generation of large amounts of data that can be made available for analyses. However, humans do not possess the cognitive capabilities to…

Machine Learning · Computer Science 2021-01-12 MohammadNoor Injadat , Abdallah Moubayed , Ali Bou Nassif , Abdallah Shami