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Recent progress towards universal machine-learned interatomic potentials holds considerable promise for materials discovery. Yet the accuracy of these potentials for predicting phase stability may still be limited. In contrast, cluster…

Materials Science · Physics 2024-05-03 A. Dana , L. Mu , S. Gelin , S. B. Sinnott , I. Dabo

A novel formulation of the clustering problem is introduced in which the task is expressed as an estimation problem, where the object to be estimated is a function which maps a point to its distribution of cluster membership. Unlike…

Machine Learning · Computer Science 2025-10-14 David P. Hofmeyr

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

Models with intractable normalizing functions arise frequently in statistics. Common examples of such models include exponential random graph models for social networks and Markov point processes for ecology and disease modeling. Inference…

Computation · Statistics 2018-08-03 Jaewoo Park , Murali Haran

The marginal Bayesian predictive classifiers (mBpc) as opposed to the simultaneous Bayesian predictive classifiers (sBpc), handle each data separately and hence tacitly assumes the independence of the observations. However, due to…

Machine Learning · Statistics 2021-12-06 Ali Amiryousefi , Ville Kinnula , Jing Tang

Motivated by the fundamental problem of modeling the frequency of frequencies (FoF) distribution, this paper introduces the concept of a cluster structure to define a probability function that governs the joint distribution of a random…

Methodology · Statistics 2016-08-02 Mingyuan Zhou , Stefano Favaro , Stephen G Walker

We argue for the use of separate exchangeability as a modeling principle in Bayesian nonparametric (BNP) inference. Separate exchangeability is de facto widely applied in the Bayesian parametric case, e.g., it naturally arises in simple…

Methodology · Statistics 2025-07-29 Giovanni Rebaudo , Qiaohui Lin , Peter Mueller

Bayesian learning is built on an assumption that the model space contains a true reflection of the data generating mechanism. This assumption is problematic, particularly in complex data environments. Here we present a Bayesian…

Machine Learning · Statistics 2018-11-05 S. P. Lyddon , S. G. Walker , C. C. Holmes

Brownian particles that are replicated and annihilated at equal rate have strongly correlated positions, forming a few compact clusters separated by large gaps. We characterize the distribution of the particles at a given time, using a…

Statistical Mechanics · Physics 2023-02-23 Benoît Ferté , Pierre Le Doussal , Alberto Rosso , Xiangyu Cao

Latent stochastic block models are flexible statistical models that are widely used in social network analysis. In recent years, efforts have been made to extend these models to temporal dynamic networks, whereby the connections between…

Methodology · Statistics 2017-03-23 Riccardo Rastelli , Pierre Latouche , Nial Friel

This paper describes a new approach for learning structures of large Bayesian networks based on blocks resulting from feature space clustering. This clustering is obtained using normalized mutual information. And the subsequent aggregation…

Machine Learning · Statistics 2022-08-30 Anna V. Bubnova

In big data analysis, a simple task such as linear regression can become very challenging as the variable dimension $p$ grows. As a result, variable screening is inevitable in many scientific studies. In recent years, randomized algorithms…

Methodology · Statistics 2019-02-13 Yu-Hsiang Cheng , Tzee-Ming Huang , Su-Yun Huang

Markov chain Monte Carlo methods are often deemed too computationally intensive to be of any practical use for big data applications, and in particular for inference on datasets containing a large number $n$ of individual data points, also…

Methodology · Statistics 2015-05-13 Rémi Bardenet , Arnaud Doucet , Chris Holmes

We introduce a general semiparametric clusterwise elliptical distribution to assess how latent cluster structure shapes continuous outcomes. Using a subjectwise representation, we first estimate cluster-specific mean vectors and a…

Methodology · Statistics 2026-04-10 Jen-Chieh Teng , Sheng-Hsin Fan , Chin-Tsang Chiang , Ming-Yueh Huang , Alvin Lim

An efficient MCMC algorithm is presented to cluster the nodes of a network such that nodes with similar role in the network are clustered together. This is known as block-modelling or block-clustering. The model is the stochastic blockmodel…

Computation · Statistics 2012-11-09 Aaron F. McDaid , Thomas Brendan Murphy , Nial Friel , Neil J Hurley

We present a novel approach to Bayesian inference and general Bayesian computation that is defined through a sequential decision loop. Our method defines a recursive partitioning of the sample space. It neither relies on gradients nor…

Machine Learning · Statistics 2021-06-10 Erik Bodin , Zhenwen Dai , Neill D. F. Campbell , Carl Henrik Ek

We use statistical mechanics to study model-based Bayesian data clustering. In this approach, each partition of the data into clusters is regarded as a microscopic system state, the negative data log-likelihood gives the energy of each…

Disordered Systems and Neural Networks · Physics 2019-11-19 Alexander Mozeika , Anthony CC Coolen

Clustering is a core task in machine learning with wide-ranging applications in data mining and pattern recognition. However, its unsupervised nature makes it inherently challenging. Many existing clustering algorithms suffer from critical…

Machine Learning · Computer Science 2025-07-29 Ahmed Shokry , Ayman Khalafallah

In recent years, there has been a growing demand to discern clusters of subjects in datasets characterized by a large set of features. Often, these clusters may be highly variable in size and present partial hierarchical structures. In this…

Methodology · Statistics 2024-07-01 Lorenzo Schiavon , Mattia Stival

Clustered sampling is prevalent in empirical regression discontinuity (RD) designs, but it has not received much attention in the theoretical literature. In this paper, we introduce a general model-based framework for such settings and…

Econometrics · Economics 2026-03-20 Claudia Noack , Tomasz Olma , Christoph Rothe