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The machine learning pipeline typically involves the iterative process of (1) collecting the data, (2) preparing the data, (3) learning a model, and (4) evaluating a model. Practitioners recognize the importance of the data preparation…

Machine Learning · Computer Science 2025-04-30 Loren Nuyts , Jesse Davis

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

Employing a deep convolutional neural network (deep CNN) trained on spin configurations of the 2D Ising model and the temperatures, we examine whether the deep CNN can detect the phase transition of the 2D $q$-state Potts model. To this…

Disordered Systems and Neural Networks · Physics 2021-08-10 Kimihiko Fukushima , Kazumitsu Sakai

We propose the use of Monte Carlo histogram reweighting to extrapolate predictions of machine learning methods. In our approach, we treat the output from a convolutional neural network as an observable in a statistical system, enabling its…

Statistical Mechanics · Physics 2020-11-25 Dimitrios Bachtis , Gert Aarts , Biagio Lucini

The melting point of a material constitutes a pivotal property with profound implications across various disciplines of science, engineering, and technology. Recent advancements in machine learning potentials have revolutionized the field,…

Materials Science · Physics 2024-09-02 Fu-Zhi Dai , Si-Hao Yuan , Yan-Bo Hao , Xin-Fu Gu , Shipeng Zhu , Jidong Hu , Yifen Xu

Model-based reinforcement learning is attractive for sequential decision-making because it explicitly estimates reward and transition models and then supports planning through simulated rollouts. In offline settings with hidden confounding,…

Machine Learning · Computer Science 2026-04-08 Nishanth Venkatesh , Andreas A. Malikopoulos

In a physical system, changing parameters such as temperature can induce a phase transition: an abrupt change from one state of matter to another. Analogous phenomena have recently been observed in large language models. Typically, the task…

Machine Learning · Computer Science 2024-05-28 Julian Arnold , Flemming Holtorf , Frank Schäfer , Niels Lörch

In recent years, machine learning has been adopted to complex networks, but most existing works concern about the structural properties. To use machine learning to detect phase transitions and accurately identify the critical transition…

Physics and Society · Physics 2020-01-08 Qi Ni , Ming Tang , Ying Liu , Ying-Cheng Lai

The main question raised in the article is whether a neural network trained on a spin lattice model in one universality class can be used to test a model in another universality class. The quantities of interest are the critical phase…

Statistical Mechanics · Physics 2025-11-19 Vladislav Chertenkov , Lev Shchur

Machine learning has been successfully used to study phase transitions. One of the most popular approaches to identifying critical points from data without prior knowledge of the underlying phases is the learning-by-confusion scheme. As…

Machine Learning · Computer Science 2023-11-16 Julian Arnold , Frank Schäfer , Niels Lörch

We employ unsupervised machine learning techniques to learn latent parameters which best describe states of the two-dimensional Ising model and the three-dimensional XY model. These methods range from principal component analysis to…

Statistical Mechanics · Physics 2017-08-23 Sebastian Johann Wetzel

Machine learning techniques exhibit significant performance in discriminating different phases of matter and provide a new avenue for studying phase transitions. We investigate the phase transitions of three dimensional $q$-state Potts…

Computational Physics · Physics 2024-02-20 Xiangna Chen , Feiyi Liu , Weibing Deng , Shiyang Chen , Jianmin Shen , Gabor Papp , Wei Li , Chunbin Yang

The melting temperature is important for materials design because of its relationship with thermal stability, synthesis, and processing conditions. Current empirical and computational melting point estimation techniques are limited in…

This paper presents a systematic study of the application of convolutional neural networks (CNNs) as an efficient and versatile tool for the analysis of critical and low-temperature phase states in spin system models. The problem of…

Computational Physics · Physics 2025-12-09 Dmitrii Kapitan , Pavel Ovchinnikov , Konstantin Soldatov , Petr Andriushchenko , Vitalii Kapitan

Neural network based machine learning is emerging as a powerful tool for obtaining phase diagrams when traditional regression schemes using local equilibrium order parameters are not available, as in many-body localized or topological…

Disordered Systems and Neural Networks · Physics 2018-06-27 Jordan Venderley , Vedika Khemani , Eun-Ah Kim

This paper presents the first general (supervised) statistical learning framework for point processes in general spaces. Our approach is based on the combination of two new concepts, which we define in the paper: i) bivariate innovations,…

Methodology · Statistics 2021-03-03 Ottmar Cronie , Mehdi Moradi , Christophe A. N. Biscio

Machine learning offers an unprecedented perspective for the problem of classifying phases in condensed matter physics. We employ neural-network machine learning techniques to distinguish finite-temperature phases of the strongly correlated…

Strongly Correlated Electrons · Physics 2017-09-12 Kelvin Ch'ng , Juan Carrasquilla , Roger G. Melko , Ehsan Khatami

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

This paper presents a computationally feasible method to compute rigorous bounds on the interval-generalisation of regression analysis to account for epistemic uncertainty in the output variables. The new iterative method uses machine…

Data Analysis, Statistics and Probability · Physics 2023-02-22 Krasymyr Tretiak , Georg Schollmeyer , Scott Ferson

Machine learning for phase transition has received intensive research interest in recent years. However, its application in percolation still remains challenging. We propose an auxiliary Ising mapping method for machine learning study of…

Statistical Mechanics · Physics 2022-03-08 Junyin Zhang , Bo Zhang , Junyi Xu , Wanzhou Zhang , Youjin Deng