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Automated analyses of the outcome of a simulation have been an important part of atomistic modeling since the early days, addressing the need of linking the behavior of individual atoms and the collective properties that are usually the…

Chemical Physics · Physics 2019-05-22 Michele Ceriotti

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

In condensed matter physics, one of the goals of machine learning is the classification of phases of matter. The consideration of a system's symmetries can significantly assist the machine in this goal. We demonstrate the ability of an…

Disordered Systems and Neural Networks · Physics 2022-12-08 Daniel Lozano-Gómez , Darren Pereira , Michel J. P. Gingras

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

This paper presents a novel approach to learn and detect distinctive regions on 3D shapes. Unlike previous works, which require labeled data, our method is unsupervised. We conduct the analysis on point sets sampled from 3D shapes, then…

Graphics · Computer Science 2020-04-22 Xianzhi Li , Lequan Yu , Chi-Wing Fu , Daniel Cohen-Or , Pheng-Ann Heng

We identify a new "order parameter" for the disorder driven many-body localization (MBL) transition by leveraging artificial intelligence. This allows us to pin down the transition, as the point at which the physics changes qualitatively,…

Quantum Physics · Physics 2019-11-19 Patrick Huembeli , Alexandre Dauphin , Peter Wittek , Christian Gogolin

Unsupervised learning is the most challenging problem in machine learning and especially in deep learning. Among many scenarios, we study an unsupervised learning problem of high economic value --- learning to predict without costly pairing…

Machine Learning · Computer Science 2016-06-16 Jianshu Chen , Po-Sen Huang , Xiaodong He , Jianfeng Gao , Li Deng

Machine-learning techniques are evolving into a subsidiary tool for studying phase transitions in many-body systems. However, most studies are tied to situations involving only one phase transition and one order parameter. Systems that…

Statistical Mechanics · Physics 2019-03-20 Ke Liu , Jonas Greitemann , Lode Pollet

Unsupervised learning has always been appealing to machine learning researchers and practitioners, allowing them to avoid an expensive and complicated process of labeling the data. However, unsupervised learning of complex data is…

Computer Vision and Pattern Recognition · Computer Science 2020-11-10 Evgenii Zheltonozhskii , Chaim Baskin , Alex M. Bronstein , Avi Mendelson

Fully automated classification methods that yield direct physical insights into phase diagrams are of current interest. Here, we demonstrate an unsupervised machine learning method for phase classification which is rendered interpretable…

Disordered Systems and Neural Networks · Physics 2021-07-21 Julian Arnold , Frank Schäfer , Martin Žonda , Axel U. J. Lode

This paper is concerned with learning of mixture regression models for individuals that are measured repeatedly. The adjective "unsupervised" implies that the number of mixing components is unknown and has to be determined, ideally by data…

Methodology · Statistics 2018-01-09 Peirong Xu , Heng Peng , Tao Huang

This review summarizes popular unsupervised learning methods, and gives an overview of their past, current, and future uses in astronomy. Unsupervised learning aims to organise the information content of a dataset, in such a way that…

Instrumentation and Methods for Astrophysics · Physics 2024-06-26 Sotiria Fotopoulou

The goal of self-supervised visual representation learning is to learn strong, transferable image representations, with the majority of research focusing on object or scene level. On the other hand, representation learning at part level has…

Computer Vision and Pattern Recognition · Computer Science 2022-03-22 Subhabrata Choudhury , Iro Laina , Christian Rupprecht , Andrea Vedaldi

We demonstrate how supervised learning can be decomposed into a two-stage procedure, where (1) all model parameters are selected in an unsupervised manner, and (2) the outputs y are added to the model, without changing the parameter values.…

Machine Learning · Statistics 2026-03-30 Oskar Allerbo , Thomas B. Schön

The transfer learning of a neural network is one of its most outstanding aspects and has given supervised learning with neural networks a prominent place in data science. Here we explore this feature in the context of strongly interacting…

Computational Physics · Physics 2021-09-30 I. Corte , S. Acevedo , M. Arlego , C. A. Lamas

Deep learning-based image reconstruction approaches have demonstrated impressive empirical performance in many imaging modalities. These approaches usually require a large amount of high-quality paired training data, which is often not…

Image and Video Processing · Electrical Eng. & Systems 2022-09-21 Riccardo Barbano , Zeljko Kereta , Andreas Hauptmann , Simon R. Arridge , Bangti Jin

We introduce a new paradigm to investigate unsupervised learning, reducing unsupervised learning to supervised learning. Specifically, we mitigate the subjectivity in unsupervised decision-making by leveraging knowledge acquired from prior,…

Machine Learning · Computer Science 2017-01-04 Vikas K. Garg , Adam Tauman Kalai

We develop a self-supervised ensemble learning (SSEL) method to accurately classify distinct types of phase transitions by analyzing the fluctuation properties of machine learning outputs. Employing the 2D Potts model and the 2D Clock model…

Statistical Mechanics · Physics 2023-10-27 Chi-Ting Ho , Daw-Wei Wang

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

The classification of states of matter and their corresponding phase transitions is a special kind of machine-learning task, where physical data allow for the analysis of new algorithms, which have not been considered in the general…

Strongly Correlated Electrons · Physics 2018-04-30 Ye-Hua Liu , Evert P. L. van Nieuwenburg