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We develop a thermodynamic theory for machine learning (ML) systems. Similar to physical thermodynamic systems which are characterized by energy and entropy, ML systems possess these characteristics as well. This comparison inspire us to…

Machine Learning · Computer Science 2024-04-23 Dong Zhang

Hydrogen exhibits unusual behaviors at megabar pressures, with consequences for planetary science, condensed matter physics and materials science. Experiments at such extreme conditions are challenging, often resulting in hard-to-interpret…

Materials Science · Physics 2022-01-05 Bingqing Cheng , Guglielmo Mazzola , Michele Ceriotti

Over the past years, machine learning has emerged as a powerful computational tool to tackle complex problems over a broad range of scientific disciplines. In particular, artificial neural networks have been successfully deployed to…

Quantum Physics · Physics 2021-01-28 Juan Carrasquilla , Giacomo Torlai

Most water in the universe may be superionic, and its thermodynamic and transport properties are crucial for planetary science but difficult to probe experimentally or theoretically. We use machine learning and free energy methods to…

Computational Physics · Physics 2021-11-24 Bingqing Cheng , Mandy Bethkenhagen , Chris J. Pickard , Sebastien Hamel

We study by computer simulation the nucleation of a supersaturated Lennard-Jones vapor into the liquid phase. The large free energy barriers to transition make the time scale of this process impossible to study by ordinary molecular…

Statistical Mechanics · Physics 2018-08-15 Pablo M. Piaggi , Omar Valsson , Michele Parrinello

Foundational Machine Learning Potentials can resolve the accuracy and transferability limitations of classical force fields. They enable microscopic insights into material behavior through Molecular Dynamics simulations, which can crucially…

Computational Physics · Physics 2025-12-04 Paul Fuchs , Julija Zavadlav

Machine learning algorithms provide a new perspective on the study of physical phenomena. In this paper, we explore the nature of quantum phase transitions using multi-color convolutional neural-network (CNN) in combination with quantum…

Disordered Systems and Neural Networks · Physics 2019-03-27 Xiao-Yu Dong , Frank Pollmann , Xue-Feng Zhang

Strongly interacting matter as described by the thermodynamics of QCD undergoes a phase transition, from a low temperature hadronic medium to a high temperature quark-gluon plasma state. In the early universe this transition occurred during…

Nuclear Experiment · Physics 2015-09-02 Jurgen Schukraft , Reinhard Stock

We construct a fast, transferable, general purpose, machine-learning interatomic potential suitable for large-scale simulations of $N_2$. The potential is trained only on high quality quantum chemical molecule-molecule interactions, no…

Computational Physics · Physics 2024-05-10 Marcin Kirsz , Ciprian G. Pruteanu , Peter I. C. Cooke , Graeme J. Ackland

Structure of hot dense matter at subnuclear densities is investigated by quantum molecular dynamics (QMD) simulations. We analyze nucleon distributions and nuclear shapes using two-point correlation functions and Minkowski functionals to…

Nuclear Theory · Physics 2014-11-18 Gentaro Watanabe , Katsuhiko Sato , Kenji Yasuoka , Toshikazu Ebisuzaki

The non-congruent liquid-gas phase transition (LGPT) in asymmetric nuclear matter is studied using the recently developed Quantum van der Waals model in the grand canonical ensemble. Different values of the electric-to-baryon charge ratio,…

High Energy Physics - Phenomenology · Physics 2019-02-20 Roman Poberezhnyuk , Volodymyr Vovchenko , Mark I. Gorenstein , Horst Stoecker

Equilibrium statistical physics is applied to layered neural networks with differentiable activation functions. A first analysis of off-line learning in soft-committee machines with a finite number (K) of hidden units learning a perfectly…

Disordered Systems and Neural Networks · Physics 2009-10-31 M. Biehl , E. Schloesser , M. Ahr

An investigation of strongly interacting matter equation of state remains one of the major tasks of modern high energy nuclear physics for almost a quarter of century. The present work is my doctor of science thesis which contains my…

Nuclear Theory · Physics 2010-12-16 Kyrill A. Bugaev

We study a generalization performance of the machine learning (ML) model to predict the atomic forces within the density functional theory (DFT). The targets are the Si and Ge single component systems in the liquid state. To train the…

Computational Physics · Physics 2019-03-27 Ryo Tamura , Jianbo Lin , Tsuyoshi Miyazaki

In this Letter, we present a new strategy for applying the learning machine to study phase transitions. We train the learning machine with samples only obtained at a non-critical parameter point, aiming to establish intrinsic correlations…

Statistical Mechanics · Physics 2019-01-04 Rongxing Xu , Weicheng Fu , Hong Zhao

The properties of critical parameters and phase diagram structure of liquid-gas phase transition are investigated in thermal symmetric and asymmetric nuclear matter with the covariant density functional (CDF) theory. Although uncertainty…

Nuclear Theory · Physics 2019-11-20 Shen Yang , Bo Nan Zhang , Bao Yuan Sun

Precise determination of thermodynamic parameters in ultracold Bose gases remains challenging due to the destructive nature of conventional measurement techniques and inherent experimental uncertainties. We demonstrate a machine learning…

Quantum Gases · Physics 2025-10-29 Jack Griffiths , Steven A. Wrathmall , Simon A. Gardiner

We study the phase transitions of the two-dimensional antiferromagnetic Ising model with nearest $J_1$ and next-to-nearest $J_2$ interactions on the triangular lattice for $J_2/J_1 = 0.1, 0.5$ and 1.0. The method of supervised neural…

High Energy Physics - Lattice · Physics 2025-11-19 Shang-Wei Li , Yuan-Heng Tseng , Kai-Wei Huang , Fu-Jiun Jiang

Glass-to-glass and liquid-to-liquid phase transitions were observed many years ago in bulk and confined water with or without applied pressure. It is shown that they result from the competition of two-liquid phases separated by an enthalpy…

Disordered Systems and Neural Networks · Physics 2017-03-21 Robert F Tournier

Machine learning methods have been widely used in the investigations of the complex plasmas. In this paper, we demonstrate that the unsupervised convolutional neural network can be applied to obtain the melting line in the two-dimensional…

Plasma Physics · Physics 2023-07-25 Hu-Sheng Li , He Huang , Wei Yang , Cheng-Ran Du