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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…

化学物理 · 物理学 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…

机器学习 · 计算机科学 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…

统计方法学 · 统计学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

星系天体物理 · 物理学 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…

机器学习 · 计算机科学 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…

计算机视觉与模式识别 · 计算机科学 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…

计算机视觉与模式识别 · 计算机科学 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…

图像与视频处理 · 电气工程与系统科学 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…

强关联电子 · 物理学 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…

机器学习 · 统计学 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…

定量方法 · 定量生物学 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…

计算机视觉与模式识别 · 计算机科学 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…

计算机视觉与模式识别 · 计算机科学 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…

天体物理仪器与方法 · 物理学 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…

计算机视觉与模式识别 · 计算机科学 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…

材料科学 · 物理学 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…

计算机视觉与模式识别 · 计算机科学 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…

机器学习 · 计算机科学 2024-02-01 Bin Liu , Bang Wang , Tianrui Li