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Machine learning (ML) methods are becoming integral to scientific inquiry in numerous disciplines, such as material sciences. In this manuscript, we demonstrate how ML can be used to predict several properties in solid-state chemistry, in…

Materials Science · Physics 2020-11-24 Jean-Claude Crivello , Nataliya Sokolovska , Jean-Marc Joubert

The prediction of configurational disorder properties, such as configurational entropy and order-disorder phase transition temperature, of compound materials relies on efficient and accurate evaluations of configurational energies. Previous…

Materials Science · Physics 2024-01-31 Zhenyao Fang , Qimin Yan

The detection of phase transitions is a fundamental challenge in condensed matter physics, traditionally addressed through analytical methods and direct numerical simulations. In recent years, machine learning techniques have emerged as…

Disordered Systems and Neural Networks · Physics 2025-01-14 Djenabou Bayo , Burak Çivitcioğlu , Joseph J Webb , Andreas Honecker , Rudolf A. Römer

Determining the phase diagram of systems consisting of smaller subsystems 'connected' via a tunable coupling is a challenging task relevant for a variety of physical settings. A general question is whether new phases, not present in the…

Disordered Systems and Neural Networks · Physics 2020-09-29 W. Rzadkowski , N. Defenu , S. Chiacchiera , A. Trombettoni , G. Bighin

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

Using the techniques of Neural Networks (NN), we study the three-dimensional (3D) 5-state ferromagnetic Potts model on the cubic lattice as well as the two-dimensional (2D) 3-state antiferromagnetic Potts model on the square lattice. Unlike…

Disordered Systems and Neural Networks · Physics 2020-08-26 D. -R. Tan , C. -D. Li , W. -P. Zhu , F. -J. Jiang

We study the finite temperature (FT) phase transitions of two-dimensional (2D) $q$-states Potts models on the square lattice, using the first principles Monte Carlo (MC) simulations as well as the techniques of neural networks (NN). We…

Disordered Systems and Neural Networks · Physics 2018-04-04 Chian-De Li , Deng-Ruei Tan , Fu-Jiun Jiang

Machine learning (ML) can process large sets of data generated from complex systems, which is ideal for classification tasks as often appeared in critical phenomena. Meanwhile ML techniques have been found effective in detecting critical…

Computational Physics · Physics 2024-05-07 Shen Jianmin , Wang Shanshan , Li Wei , Xu Dian , Yang Yuxiang , Wang Yanyang , Gao Feng , Zhu Yueying , Tuo Kui

We present an analysis of neural network-based machine learning schemes for phases and phase transitions in theoretical condensed matter research, focusing on neural networks with a single hidden layer. Such shallow neural networks were…

Statistical Mechanics · Physics 2018-06-06 Philippe Suchsland , Stefan Wessel

Knowledge of phase diagrams is essential for material design as it helps in understanding microstructure evolution during processing. The determination of phase diagrams is thus one of the central tasks in materials science. When exploring…

Materials Science · Physics 2022-03-08 Guillaume Deffrennes , Kei Terayama , Taichi Abe , Ryo Tamura

Over the past several years, there have been many studies demonstrating the ability of deep neural networks to identify phase transitions in many physical systems, notably in classical statistical physics systems. One often finds that the…

The three-state Potts model is numerically investigated on three-dimensional simple cubic lattices of up to \(128^3\) volume, concentrating on the neighborhood of the first-order phase transition separating the ordered and disordered…

High Energy Physics - Lattice · Physics 2007-05-23 Shigemi Ohta

The dynamic of complex ordering systems with active rotational degrees of freedom exemplified by protein self-assembly is explored using a machine learning workflow that combines deep learning-based semantic segmentation and rotationally…

Soft Condensed Matter · Physics 2021-04-26 Sergei V. Kalinin , Shuai Zhang , Mani Valleti , Harley Pyles , David Baker , James J. De Yoreo , Maxim Ziatdinov

We employ deep learning techniques to investigate the critical properties of the continuous phase transition in the majority vote model. In addition to deep learning, principal component analysis is utilized to analyze the transition. For…

We consider computer generated configurations of quantised vortices in planar superfluid Bose-Einstein condensates. We show that unsupervised machine learning technology can successfully be used for classifying such vortex configurations to…

Quantum Gases · Physics 2022-03-14 Rama Sharma , Tapio Simula

The coordinate and momentum space configurations of the net baryon number in heavy ion collisions that undergo spinodal decomposition, due to a first-order phase transition, are investigated using state-of-the-art machine-learning methods.…

Nuclear Theory · Physics 2019-12-23 Jan Steinheimer , LongGang Pang , Kai Zhou , Volker Koch , Jørgen Randrup , Horst Stoecker

In this article we apply the random forest machine learning model to classify 1D topological phases when strong disorder is present. We show that using the entanglement spectrum as training features the model gives high classification…

Disordered Systems and Neural Networks · Physics 2020-01-30 Ye Zhuang , Luiz H. Santos , Taylor L. Hughes

The phase transition in the q-state Potts model with homogeneous ferromagnetic couplings is strongly first order for large q, while is rounded in the presence of quenched disorder. Here we study this phenomenon on different two-dimensional…

Disordered Systems and Neural Networks · Physics 2007-05-23 M. T. Mercaldo , J-Ch. Anglès d'Auriac , F. Iglói

Recent progress towards universal machine-learned interatomic potentials holds considerable promise for materials discovery. Yet the accuracy of these potentials for predicting phase stability may still be limited. In contrast, cluster…

Materials Science · Physics 2024-05-03 A. Dana , L. Mu , S. Gelin , S. B. Sinnott , I. Dabo

Monte Carlo simulations are performed to study the two-dimensional Potts models with q=3 and 4 states on directed Small-World network. The disordered system is simulated applying the Heat bath Monte Carlo update algorithm. A first-order and…

Statistical Mechanics · Physics 2015-06-05 P. R. O. da Silva , F. W. S. Lima , R. N. Costa Filho