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The present paper is meant to give a simple introduction to the problem of the connection between microscopic dynamics and statistical laws. For sake of simplicity, we mostly refer to non-dissipative dynamics, since dissipation adds…

Statistical Mechanics · Physics 2014-10-02 Sergio Chibbaro , Lamberto Rondoni , Angelo Vulpiani

Thermodynamic phase transitions, a central concept in physics and chemistry, are typically controlled by an interplay of enthalpic and entropic contributions. In most cases, the estimation of the enthalpy in simulations is straightforward…

Soft Condensed Matter · Physics 2025-10-30 Yamin Ben-Shimon , Barak Hirshberg , Yohai Bar-Sinai

Machine learning has affected the way in which many phenomena for various domains are modelled, one of these domains being that of structural dynamics. However, because machine-learning algorithms are problem-specific, they often fail to…

Machine Learning · Computer Science 2024-01-08 G. Tsialiamanis , N. Dervilis , D. J. Wagg , K. Worden

We demonstrate that embedding physics-driven constraints into machine learning process can dramatically improve accuracy and generalizability of the resulting model. Physics-informed learning is illustrated on the example of analysis of…

Computational Physics · Physics 2021-12-16 Abantika Ghosh , Mohannad Elhamod , Jie Bu , Wei-Cheng Lee , Anuj Karpatne , Viktor A Podolskiy

Although not as wide, and popular, as that of quantum mechanics, the investigation of fundamental aspects of statistical mechanics constitutes an important research field in the building of modern physics. Besides the interest for itself,…

Statistical Mechanics · Physics 2025-05-23 Marco Baldovin , Giacomo Gradenigo , Angelo Vulpiani , Nino Zanghì

This work presents a review of the current state of research in data-driven turbulence closure modeling. It offers a perspective on the challenges and open issues, but also on the advantages and promises of machine learning methods applied…

Computational Engineering, Finance, and Science · Computer Science 2022-12-21 Andrea Beck , Marius Kurz

Scientific knowledge expands by observing the world, hypothesizing some theories about it, and testing them against collected data. When those theories take the form of statistical models, statistical analyses are involved in the process of…

Machine Learning · Statistics 2026-03-11 Arnaud Delaunoy

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

The study of plasma physics under conditions of extreme temperatures, densities and electromagnetic field strengths is significant for our understanding of astrophysics, nuclear fusion and fundamental physics. These extreme physical systems…

Machine learning with application to questions in the physical sciences has become a widely used tool, successfully applied to classification, regression and optimization tasks in many areas. Research focus mostly lies in improving the…

Machine Learning · Computer Science 2021-07-20 Pascal Friederich , Mario Krenn , Isaac Tamblyn , Alan Aspuru-Guzik

We analyze phase transitions in the conditional entropy of a sequence caused by a change in the conditional variables. Such transitions happen, for example, when training to learn the parameters of a system, since the transition from the…

Information Theory · Computer Science 2021-01-07 Kang Gao , Bertrand Hochwald

Machine learning methods can be a valuable aid in the scientific process, but they need to face challenging settings where data come from inhomogeneous experimental conditions. Recent meta-learning methods have made significant progress in…

Machine Learning · Computer Science 2024-03-21 Matthieu Blanke , Marc Lelarge

Machine learning (ML) is transforming all areas of science. The complex and time-consuming calculations in molecular simulations are particularly suitable for a machine learning revolution and have already been profoundly impacted by the…

Chemical Physics · Physics 2019-11-11 Frank Noé , Alexandre Tkatchenko , Klaus-Robert Müller , Cecilia Clementi

The problem of the insensitivity of the macroscopic behavior of any thermodynamical system to partitioning generates a bias between the reproducibility of its macroscopic behavior viewed as the simplest form of causality and its long-term…

General Physics · Physics 2007-05-23 Maria K. Koleva

The utility of machine learning in understanding the motor system is promising a revolution in how to collect, measure, and analyze data. The field of movement science already elegantly incorporates theory and engineering principles to…

Quantitative Methods · Quantitative Biology 2021-09-16 Sébastien B. Hausmann , Alessandro Marin Vargas , Alexander Mathis , Mackenzie W. Mathis

Thermodynamics is based on a coarse-grained approach, from which its fundamental variables emerge, effectively erasing the complicate details of the microscopic dynamics within a macroscopic system. The strength of Thermodynamics lies in…

Quantum Physics · Physics 2025-04-17 Gabriel Fernandez Ferrari , Łukasz Rudnicki , Lucas Chibebe Céleri

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

Unraveling the connections between microscopic structure, emergent physical properties, and slow dynamics has long been a challenge when studying the glass transition. The absence of clear visible structural order in amorphous…

Machine Learning is a powerful tool to reveal and exploit correlations in a multi-dimensional parameter space. Making predictions from such correlations is a highly non-trivial task, in particular when the details of the underlying dynamics…

High Energy Physics - Phenomenology · Physics 2019-01-30 Christoph Englert , Peter Galler , Philip Harris , Michael Spannowsky

Incorporating a priori physics knowledge into machine learning leads to more robust and interpretable algorithms. In this work, we combine deep learning techniques and classic numerical methods for differential equations to address two…

Machine Learning · Computer Science 2026-05-04 Caitlin Ho , Andrea Arnold