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Statistical learning algorithms are finding more and more applications in science and technology. Atomic-scale modeling is no exception, with machine learning becoming commonplace as a tool to predict energy, forces and properties of…

Chemical Physics · Physics 2020-12-09 Félix Musil , Michele Ceriotti

Machine learning (ML) methods have been developing rapidly, but configuring and selecting proper methods to achieve a desired performance is increasingly difficult and tedious. To address this challenge, automated machine learning (AutoML)…

Artificial Intelligence · Computer Science 2024-02-28 Zhenqian Shen , Yongqi Zhang , Lanning Wei , Huan Zhao , Quanming Yao

Molecular modeling is an important topic in drug discovery. Decades of research have led to the development of high quality scalable molecular force fields. In this paper, we show that neural networks can be used to train a universal…

Quantitative Methods · Quantitative Biology 2021-04-20 Ke Liu , Zekun Ni , Zhenyu Zhou , Suocheng Tan , Xun Zou , Haoming Xing , Xiangyan Sun , Qi Han , Junqiu Wu , Jie Fan

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

The parameterization of moist convection contributes to uncertainty in climate modeling and numerical weather prediction. Machine learning (ML) can be used to learn new parameterizations directly from high-resolution model output, but it…

Atmospheric and Oceanic Physics · Physics 2018-11-30 Paul A. O'Gorman , John G. Dwyer

Recent developments in Machine Learning approaches for modelling physical systems have begun to mirror the past development of numerical methods in the computational sciences. In this survey, we begin by providing an example of this with…

Machine Learning · Computer Science 2023-04-04 Artur P. Toshev , Ludger Paehler , Andrea Panizza , Nikolaus A. Adams

Nowadays, Machine Learning (ML) is seen as the universal solution to improve the effectiveness of information retrieval (IR) methods. However, while mathematics is a precise and accurate science, it is usually expressed by less accurate and…

Digital Libraries · Computer Science 2020-12-22 André Greiner-Petter , Terry Ruas , Moritz Schubotz , Akiko Aizawa , William Grosky , Bela Gipp

The role of mathematical models in physics has for longer been well established. The issue of their proper building and use appears to be less clear. Examples in this regard from relativity and quantum mechanics are mentioned. Comments…

General Physics · Physics 2008-04-08 Elemer E. Rosinger

In recent years, machine learning (ML) techniques have emerged as powerful tools for studying many-body complex systems, and encompassing phase transitions in various domains of physics. This mini review provides a concise yet comprehensive…

Nuclear Theory · Physics 2024-01-05 Yu-Gang Ma , Long-Gang Pang , Rui Wang , Kai Zhou

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…

Several machine learning methods aim to learn or reason about complex physical systems. A common first-step towards reasoning is to infer system parameters from observations of its behavior. In this paper, we investigate the performance of…

Computation and Language · Computer Science 2024-02-07 Sean Memery , Mirella Lapata , Kartic Subr

Currently, machine learning (ML) methods are widely used to process the results of physical experiments. In some cases, due to the limited amount of experimental data, ML-models can be pre-trained on synthetic data simulated based on the…

Computational Physics · Physics 2022-09-22 Y. R. Rodimkov , V. D. Volokitin , I. B. Meyerov , E. S. Efimenko

Machine learning techniques have emerged as powerful tools to tackle various challenges. The integration of machine learning methods with Physics has led to innovative approaches in understanding, controlling, and simulating physical…

Physics Education · Physics 2025-05-20 G. Café de Miranda , Gubio G. de Lima , Tiago de S. Farias

Machine learning techniques are used to predict theoretical constraints such as unitarity and boundedness from below in extensions of the Standard Model. This approach has proven effective for models incorporating additional SU(2) scalar…

High Energy Physics - Phenomenology · Physics 2025-12-19 Darius Jurčiukonis

Representation learning has been widely studied in the context of meta-learning, enabling rapid learning of new tasks through shared representations. Recent works such as MAML have explored using fine-tuning-based metrics, which measure the…

Machine Learning · Computer Science 2021-05-06 Kurtland Chua , Qi Lei , Jason D. Lee

Supervised machine learning involves approximating an unknown functional relationship from a limited dataset of features and corresponding labels. The classical approach to feature-based machine learning typically relies on applying linear…

Machine Learning · Statistics 2025-04-25 Margherita Lampani , Sabrina Guastavino , Michele Piana , Federico Benvenuto

This survey is on recent advancements in the intersection of physical modeling and machine learning. We focus on the modeling of nonlinear systems which are closer to electric motors. Survey on motor control and fault detection in operation…

Machine Learning · Computer Science 2020-09-29 Sagar Verma

Quantum machine learning (QML) is a promising early use case for quantum computing. There has been progress in the last five years from theoretical studies and numerical simulations to proof of concepts. Use cases demonstrated on…

Quantum Physics · Physics 2024-04-30 Daniel Goldsmith , M M Hassan Mahmud

Hyperparameter optimization constitutes a large part of typical modern machine learning workflows. This arises from the fact that machine learning methods and corresponding preprocessing steps often only yield optimal performance when…

Nuclear materials are often demanded to function for extended time in extreme environments, including high radiation fluxes and transmutation, high temperature and temperature gradients, stresses, and corrosive coolants. They also have a…

Materials Science · Physics 2022-11-18 Dane Morgan , Ghanshyam Pilania , Adrien Couet , Blas P. Uberuaga , Cheng Sun , Ju Li
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