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The classification of phase transitions is a central and challenging task in condensed matter physics. Typically, it relies on the identification of order parameters and the analysis of singularities in the free energy and its derivatives.…

Strongly Correlated Electrons · Physics 2019-07-31 Askery Canabarro , Felipe Fernandes Fanchini , André Luiz Malvezzi , Rodrigo Pereira , Rafael Chaves

Deep learning methods have become very popular for the processing of natural images, and were then successfully adapted to the neuroimaging field. As these methods are non-transparent, interpretability methods are needed to validate them…

Computer Vision and Pattern Recognition · Computer Science 2022-04-15 Elina Thibeau-Sutre , Sasha Collin , Ninon Burgos , Olivier Colliot

We introduce an unsupervised machine learning method based on Siamese Neural Networks (SNN) to detect phase boundaries. This method is applied to Monte-Carlo simulations of Ising-type systems and Rydberg atom arrays. In both cases the SNN…

Computational Physics · Physics 2022-11-23 Zakaria Patel , Ejaaz Merali , Sebastian J. Wetzel

We identify configurational phases and structural transitions in a polymer nanotube composite by means of machine learning. We employ various unsupervised dimensionality reduction methods, conventional neural networks, as well as the…

Soft Condensed Matter · Physics 2022-04-06 Quinn Parker , Dilina Perera , Ying Wai Li , Thomas Vogel

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

Unsupervised learning allows us to leverage unlabelled data, which has become abundantly available, and to create embeddings that are usable on a variety of downstream tasks. However, the typical lack of interpretability of unsupervised…

Machine Learning · Computer Science 2023-09-29 Gregory Scafarto , Madalina Ciortan , Simon Tihon , Quentin Ferre

With the broader and highly successful usage of machine learning in industry and the sciences, there has been a growing demand for Explainable AI. Interpretability and explanation methods for gaining a better understanding about the problem…

Machine Learning · Computer Science 2021-02-26 Wojciech Samek , Grégoire Montavon , Sebastian Lapuschkin , Christopher J. Anders , Klaus-Robert Müller

Experimental quantum simulators have become large and complex enough that discovering new physics from the huge amount of measurement data can be quite challenging, especially when little theoretical understanding of the simulated model is…

Quantum Physics · Physics 2020-12-08 Alexander Lidiak , Zhexuan Gong

Machine learning is capable of discriminating phases of matter, and finding associated phase transitions, directly from large data sets of raw state configurations. In the context of condensed matter physics, most progress in the field of…

Statistical Mechanics · Physics 2017-12-06 Pedro Ponte , Roger G. Melko

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

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

Phase transitions mark qualitative reorganizations of collective behavior, yet identifying their boundaries remains challenging whenever analytic solutions are absent and conventional simulations fail. Here we introduce learnability as a…

Materials Science · Physics 2025-10-10 Şener Özönder

Machine learning is increasingly transforming various scientific fields, enabled by advancements in computational power and access to large data sets from experiments and simulations. As artificial intelligence (AI) continues to grow in…

Computational Physics · Physics 2025-04-01 Sebastian Johann Wetzel , Seungwoong Ha , Raban Iten , Miriam Klopotek , Ziming Liu

Artificial intelligence, particularly through recent advancements in deep learning, has achieved exceptional performances in many tasks in fields such as natural language processing and computer vision. In addition to desirable evaluation…

Machine Learning · Computer Science 2024-03-04 Sean Xie , Soroush Vosoughi , Saeed Hassanpour

Interpretable machine learning techniques are becoming essential tools for extracting physical insights from complex quantum data. We build on recent advances in variational autoencoders to demonstrate that such models can learn physically…

As deep learning systems are scaled up to many billions of parameters, relating their internal structure to external behaviors becomes very challenging. Although daunting, this problem is not new: Neuroscientists and cognitive scientists…

Understanding internal representations of neural models is a core interest of mechanistic interpretability. Due to its large dimensionality, the representation space can encode various aspects about inputs. To what extent are different…

Machine Learning · Computer Science 2026-05-15 Xinting Huang , Michael Hahn

Exploration of the QCD phase diagram and critical point is one of the main goals in current relativistic heavy-ion collisions. The QCD critical point is expected to belong to a three-dimensional (3D) Ising universality class. Machine…

Nuclear Theory · Physics 2023-02-02 Xiaobing Li , Ranran Guo , Yu Zhou , Kangning Liu , Jia Zhao , Fen Long , Yuanfang Wu , Zhiming Li

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

The modeling and simulation of high-dimensional multiscale systems is a critical challenge across all areas of science and engineering. It is broadly believed that even with today's computer advances resolving all spatiotemporal scales…

Machine Learning · Statistics 2023-09-13 Emmanuel Menier , Sebastian Kaltenbach , Mouadh Yagoubi , Marc Schoenauer , Petros Koumoutsakos