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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

Clustering is a fundamental unsupervised learning approach. Many clustering algorithms -- such as $k$-means -- rely on the euclidean distance as a similarity measure, which is often not the most relevant metric for high dimensional data…

Machine Learning · Computer Science 2019-10-22 Aude Genevay , Gabriel Dulac-Arnold , Jean-Philippe Vert

Bayesian model selection provides a powerful framework for objectively comparing models directly from observed data, without reference to ground truth data. However, Bayesian model selection requires the computation of the marginal…

Methodology · Statistics 2024-01-17 Xiaohao Cai , Jason D. McEwen , Marcelo Pereyra

This paper studies the large-scale subspace clustering (LSSC) problem with million data points. Many popular subspace clustering methods cannot directly handle the LSSC problem although they have been considered as state-of-the-art methods…

Machine Learning · Computer Science 2020-04-10 Jun Li , Hongfu Liu , Zhiqiang Tao , Handong Zhao , Yun Fu

Domain-specific image collections present potential value in various areas of science and business but are often not curated nor have any way to readily extract relevant content. To employ contemporary supervised image analysis methods on…

Machine Learning · Computer Science 2020-03-10 Sara Mousavi , Dylan Lee , Tatianna Griffin , Dawnie Steadman , Audris Mockus

We introduce Deep-CEE (Deep Learning for Galaxy Cluster Extraction and Evaluation), a proof of concept for a novel deep learning technique, applied directly to wide-field colour imaging to search for galaxy clusters, without the need for…

Astrophysics of Galaxies · Physics 2019-11-26 Matthew C. Chan , John P. Stott

Semi-supervised clustering seeks to augment traditional clustering methods by incorporating side information provided via human expertise in order to increase the semantic meaningfulness of the resulting clusters. However, most current…

Machine Learning · Computer Science 2014-02-17 Caiming Xiong , David Johnson , Jason J. Corso

Existing approaches for unsupervised metric learning focus on exploring self-supervision information within the input image itself. We observe that, when analyzing images, human eyes often compare images against each other instead of…

Computer Vision and Pattern Recognition · Computer Science 2020-08-12 Yang Li , Shichao Kan , Zhihai He

Deep multi-view clustering methods have achieved remarkable performance. However, all of them failed to consider the difficulty labels (uncertainty of ground-truth for training samples) over multi-view samples, which may result into a…

Computer Vision and Pattern Recognition · Computer Science 2021-12-30 Renhao Sun

Novel data acquisition schemes have been an emerging need for scanning microscopy based imaging techniques to reduce the time in data acquisition and to minimize probing radiation in sample exposure. Varies sparse sampling schemes have been…

Image and Video Processing · Electrical Eng. & Systems 2018-07-09 Yan Zhang , Xiang Huang , Nicola Ferrier , Emine B. Gulsoy , Charudatta Phatak

Supervised Learning has been successfully used to produce phase diagrams and identify phase boundaries when local order parameters are unavailable. Here, we apply unsupervised learning to this task. By using readily available clustering…

Strongly Correlated Electrons · Physics 2019-08-19 Steven Durr , Sudip Chakravarty

The task of clustering a set of objects based on multiple sources of data arises in several modern applications. We propose an integrative statistical model that permits a separate clustering of the objects for each data source. These…

Machine Learning · Statistics 2015-12-01 Eric F. Lock , David B. Dunson

Choosing appropriate hyperparameters for unsupervised clustering algorithms in an optimal way depending on the problem under study is a long standing challenge, which we tackle while adapting clustering algorithms for immune disorder…

Quantitative Methods · Quantitative Biology 2020-09-25 A. Carpio , A. Simón , L. F. Villa

The bone age, reflecting the degree of development of the bones, can be used to predict the adult height and detect endocrine diseases of children. Both examinations of radiologists and variability of operators have a significant impact on…

Computer Vision and Pattern Recognition · Computer Science 2022-06-14 Hao Zhu , Wan-Jing Nie , Yue-Jie Hou , Qi-Meng Du , Si-Jing Li , Chi-Chun Zhou

Predictive marker patterns in imaging data are a means to quantify disease and progression, but their identification is challenging, if the underlying biology is poorly understood. Here, we present a method to identify predictive texture…

Computer Vision and Pattern Recognition · Computer Science 2020-02-11 Matthias Perkonigg , Daniel Sobotka , Ahmed Ba-Ssalamah , Georg Langs

Star-galaxy classification is one of the most fundamental data-processing tasks in survey astronomy, and a critical starting point for the scientific exploitation of survey data. For bright sources this classification can be done with…

Instrumentation and Methods for Astrophysics · Physics 2013-07-30 Marc Henrion , Daniel J. Mortlock , David J. Hand , Axel Gandy

In many applications of X-ray computed tomography, an unsupervised segmentation of the reconstructed 3D volumes forms an important step in the image processing chain for further investigation of the digitized object. Therefore, the goal is…

Computer Vision and Pattern Recognition · Computer Science 2023-03-09 Thomas Lang

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

Recent developed deep unsupervised methods allow us to jointly learn representation and cluster unlabelled data. These deep clustering methods mainly focus on the correlation among samples, e.g., selecting high precision pairs to gradually…

Computer Vision and Pattern Recognition · Computer Science 2019-08-13 Jianlong Wu , Keyu Long , Fei Wang , Chen Qian , Cheng Li , Zhouchen Lin , Hongbin Zha

Recent years have witnessed many successful applications of contrastive learning in diverse domains, yet its self-supervised version still remains many exciting challenges. As the negative samples are drawn from unlabeled datasets, a…

Machine Learning · Computer Science 2024-02-01 Bin Liu , Bang Wang , Tianrui Li