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Accurate phase diagram calculation from molecular dynamics requires systematic treatment and convergence of statistical averages. In this work we propose a Gaussian process regression based framework for reconstructing the free energy…

Computational Physics · Physics 2021-11-02 V. Ladygin , I. Beniya , E. Makarov , A. Shapeev

Bipartite data is common in data engineering and brings unique challenges, particularly when it comes to clustering tasks that impose on strong structural assumptions. This work presents an unsupervised method for assessing similarity in…

Machine Learning · Computer Science 2017-02-17 Aaron Gerow , Mingyang Zhou , Stan Matwin , Feng Shi

Traditional Bayesian random partition models assume that the size of each cluster grows linearly with the number of data points. While this is appealing for some applications, this assumption is not appropriate for other tasks such as…

Methodology · Statistics 2020-04-07 Brenda Betancourt , Giacomo Zanella , Rebecca C. Steorts

Given a set of variables and the correlations among them, we develop a method for finding clustering among the variables. The method takes advantage of information implicit in higher-order (not just pairwise) correlations. The idea is to…

Statistical Mechanics · Physics 2015-05-13 L. S. Schulman

A Bayesian filtering algorithm is developed for a class of state-space systems that can be modelled via Gaussian mixtures. In general, the exact solution to this filtering problem involves an exponential growth in the number of mixture…

Machine Learning · Statistics 2023-07-03 Adrian G. Wills , Johannes Hendriks , Christopher Renton , Brett Ninness

In this paper we propose a Bayesian nonparametric model for clustering partial ranking data. We start by developing a Bayesian nonparametric extension of the popular Plackett-Luce choice model that can handle an infinite number of choice…

Machine Learning · Statistics 2014-08-04 François Caron , Yee Whye Teh , Thomas Brendan Murphy

Subspace clustering refers to the task of finding a multi-subspace representation that best fits a collection of points taken from a high-dimensional space. This paper introduces an algorithm inspired by sparse subspace clustering (SSC) [In…

Machine Learning · Computer Science 2014-05-26 Mahdi Soltanolkotabi , Ehsan Elhamifar , Emmanuel J. Candès

In mixture model-based clustering applications, it is common to fit several models from a family and report clustering results from only the `best' one. In such circumstances, selection of this best model is achieved using a model selection…

Methodology · Statistics 2017-10-09 Yuhong Wei , Paul D. McNicholas

Bayesian filtering is a well-known problem that aims to estimate plausible states of a dynamical system from observations. Among existing approaches to solve this problem, particle filters are theoretically exact for non-linear dynamics and…

Machine Learning · Computer Science 2026-05-20 Thomas Savary , François Rozet , Gilles Louppe

Clustering attempts to partition data instances into several distinctive groups, while the similarities among data belonging to the common partition can be principally reserved. Furthermore, incomplete data frequently occurs in many…

Machine Learning · Computer Science 2022-08-30 Miao Cheng , Xinge You

Cluster analysis of biological samples using gene expression measurements is a common task which aids the discovery of heterogeneous biological sub-populations having distinct mRNA profiles. Several model-based clustering algorithms have…

Methodology · Statistics 2012-01-30 Alberto Cozzini , Ajay Jasra , Giovanni Montana

Bayesian clustering methods have the widely touted advantage of providing a probabilistic characterization of uncertainty in clustering through the posterior distribution. An amazing variety of priors and likelihoods have been proposed for…

Methodology · Statistics 2025-11-21 Garritt L. Page , Andrés F. Barrientos , David B. Dahl , David B. Dunson

We propose a clustering-based iterative algorithm to solve certain optimization problems in machine learning, where we start the algorithm by aggregating the original data, solving the problem on aggregated data, and then in subsequent…

Machine Learning · Statistics 2017-01-23 Young Woong Park , Diego Klabjan

We elaborate on a general method that we recently introduced for characterizing the "natural" structures in complex physical systems via a multiscale network based approach for the data mining of such structures. The approach is based on…

Materials Science · Physics 2015-03-18 P. Ronhovde , S. Chakrabarty , D. Hu , M. Sahu , K. F. Kelton , N. A. Mauro , K . K. Sahu , Z. Nussinov

We propose a computationally simple framework for clustering functional data based on Gaussian-process-generated random projections. In this approach, each curve is first projected onto a large collection of independent Gaussian process…

Methodology · Statistics 2026-05-22 Sourav Chakrabarty , Anirvan Chakraborty , Shyamal K. De

Spectral clustering views the similarity matrix as a weighted graph, and partitions the data by minimizing a graph-cut loss. Since it minimizes the across-cluster similarity, there is no need to model the distribution within each cluster.…

Methodology · Statistics 2023-04-14 Leo L. Duan , Arkaprava Roy

Clustering, or grouping, dataset elements based on similarity can be used not only to classify a dataset into a few categories, but also to approximate it by a relatively large number of representative elements. In the latter scenario,…

Machine Learning · Computer Science 2019-09-13 Tim Jaschek , Marko Bucyk , Jaspreet S. Oberoi

In economic development, there are often regions that share similar economic characteristics, and economic models on such regions tend to have similar covariate effects. In this paper, we propose a Bayesian clustered regression for…

Econometrics · Economics 2020-06-30 Zhihua Ma , Yishu Xue , Guanyu Hu

We present a data segmentation method based on a first-order density-induced consensus protocol. We provide a mathematically rigorous analysis of the consensus model leading to the stopping criteria of the data segmentation algorithm. To…

Computer Vision and Pattern Recognition · Computer Science 2022-04-25 Piotr Minakowski , Jan Peszek

Data clustering is an instrumental tool in the area of energy resource management. One problem with conventional clustering is that it does not take the final use of the clustered data into account, which may lead to a very suboptimal use…

Machine Learning · Computer Science 2021-06-03 Chao Zhang , Samson Lasaulce , Martin Hennebel , Lucas Saludjian , Patrick Panciatici , H. Vincent Poor