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Topological Data Analysis (TDA) has emerged as a powerful framework for extracting robust, multiscale, and interpretable features from complex molecular data for artificial intelligence (AI) modeling and topological deep learning (TDL).…

Biomolecules · Quantitative Biology 2025-09-23 JunJie Wee , Jian Jiang

We review the main applications of machine learning models that are not fully supervised in particle physics, i.e., clustering, anomaly detection, detector simulation, and unfolding. Unsupervised methods are ideal for anomaly detection…

High Energy Physics - Phenomenology · Physics 2024-10-24 Jai Bardhan , Tanumoy Mandal , Subhadip Mitra , Cyrin Neeraj , Monalisa Patra

Out-of-distribution (OOD) detection is the key to deploying models safely in the open world. For OOD detection, collecting sufficient in-distribution (ID) labeled data is usually more time-consuming and costly than unlabeled data. When ID…

Computer Vision and Pattern Recognition · Computer Science 2022-09-19 Rundong He , Rongxue Li , Zhongyi Han , Yilong Yin

We propose a self-supervised Gaussian ATtention network for image Clustering (GATCluster). Rather than extracting intermediate features first and then performing the traditional clustering algorithm, GATCluster directly outputs semantic…

Computer Vision and Pattern Recognition · Computer Science 2020-06-09 Chuang Niu , Jun Zhang , Ge Wang , Jimin Liang

We propose a new method for Unsupervised clustering in particle physics named UCluster, where information in the embedding space created by a neural network is used to categorise collision events into different clusters that share similar…

Data Analysis, Statistics and Probability · Physics 2021-06-01 Vinicius Mikuni , Florencia Canelli

Data clustering, the task of grouping observations according to their similarity, is a key component of unsupervised learning -- with real world applications in diverse fields such as biology, medicine, and social science. Often in these…

Machine Learning · Computer Science 2023-09-20 Anne Sophie Riis Damstrup , Sofie Tosti Madsen , Michele Coscia

Quantitative analysis of microstructural features on the nanoscale, including precipitates, local chemical orderings (LCOs) or structural defects (e.g. stacking faults) plays a pivotal role in understanding the mechanical and physical…

In this paper we address the problem of automatically discovering atomic actions in unsupervised manner from instructional videos. Instructional videos contain complex activities and are a rich source of information for intelligent agents,…

Computer Vision and Pattern Recognition · Computer Science 2021-06-29 AJ Piergiovanni , Anelia Angelova , Michael S. Ryoo , Irfan Essa

Parameter prediction is essential for many applications, facilitating insightful interpretation and decision-making. However, in many real life domains, such as power systems, medicine, and engineering, it can be very expensive to acquire…

Machine Learning · Computer Science 2024-02-16 Zimeng Lyu , Alexander Ororbia , Rui Li , Travis Desell

Feature selection methods have an important role on the readability of data and the reduction of complexity of learning algorithms. In recent years, a variety of efforts are investigated on feature selection problems based on unsupervised…

Machine Learning · Computer Science 2019-12-12 Mohsen Ghassemi Parsa , Hadi Zare , Mehdi Ghatee

In this paper, we present an unsupervised learning framework for analyzing activities and interactions in surveillance videos. In our framework, three levels of video events are connected by Hierarchical Dirichlet Process (HDP) model:…

Computer Vision and Pattern Recognition · Computer Science 2018-02-12 Michael Ying Yang , Wentong Liao , Yanpeng Cao , Bodo Rosenhahn

Recent advances in scanning transmission electron and scanning tunneling microscopies allow researchers to measure materials structural and electronic properties, such as atomic displacements and charge density modulations, at an Angstrom…

We present different methods of unsupervised learning which can be used for outlier detection in high energy nuclear collisions. The UrQMD model is used to generate the bulk background of events as well as different variants of outlier…

High Energy Physics - Experiment · Physics 2021-05-26 Punnathat Thaprasop , Kai Zhou , Jan Steinheimer , Christoph Herold

Unsupervised machine learning offers significant opportunities for extracting knowledge from unlabeled data sets and for achieving maximum machine learning performance. This paper demonstrates how to construct, use, and evaluate a high…

Materials Science · Physics 2021-04-13 Ryan Cohn , Elizabeth Holm

Unsupervised domain adaptation (UDA) methods have been broadly utilized to improve the models' adaptation ability in general computer vision. However, different from the natural images, there exist huge semantic gaps for the nuclei from…

Computer Vision and Pattern Recognition · Computer Science 2022-07-05 Canran Li , Dongnan Liu , Haoran Li , Zheng Zhang , Guangming Lu , Xiaojun Chang , Weidong Cai

Identifying crystal defects is vital for unraveling the origins of many physical phenomena. Traditionally used order parameters are system-dependent and can be computationally expensive to calculate for long molecular dynamics simulations.…

Materials Science · Physics 2024-10-01 Lukáš Kývala , Pablo Montero De Hijes , Christoph Dellago

Topological data analysis is an emerging field that applies the study of topological invariants to data. Perhaps the simplest of these invariants is the number of connected components or clusters. In this work, we explore a topological…

Computational Geometry · Computer Science 2023-12-19 Ian Stewart Joyce , Grant Erdmann , Kirk P. Gardner , Ryan Kramer , Kyle Siegrist

Unsupervised 3D object detection serves as an important solution for offline 3D object annotation. However, due to the data sparsity and limited views, the clustering-based label fitting in unsupervised object detection often generates…

Computer Vision and Pattern Recognition · Computer Science 2025-03-14 Qiming Xia , Wenkai Lin , Haoen Xiang , Xun Huang , Siheng Chen , Zhen Dong , Cheng Wang , Chenglu Wen

The continuous effort towards topological quantum devices calls for an efficient and non-invasive method to assess the conformity of components in different topological phases. Here, we show that machine learning paves the way towards…

Disordered Systems and Neural Networks · Physics 2019-01-24 Marcello D. Caio , Marco Caccin , Paul Baireuther , Timo Hyart , Michel Fruchart

The expansiveness of compositional phase space is too vast to fully search using current theoretical tools for many emergent problems in condensed matter physics. The reliance on a deep chemical understanding is one method to identify local…

Superconductivity · Physics 2023-01-26 Lazar Novakovic , Ashkan Salamat , Keith V. Lawler
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