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Standard Gaussian Process (GP) regression, a powerful machine learning tool, is computationally expensive when it is applied to large datasets, and potentially inaccurate when data points are sparsely distributed in a high-dimensional…

Machine Learning · Computer Science 2016-03-08 Z. Zhang , K. Duraisamy , N. A. Gumerov

We investigate the utility of deep learning for modeling the clustering of particles that are aerodynamically coupled to turbulent fluids. Using a Lagrangian particle module within the Athena++ hydrodynamics code, we simulate the dynamics…

Earth and Planetary Astrophysics · Physics 2024-01-09 Yan-Mong Chan , Natascha Manger , Yin Li , Chao-Chin Yang , Zhaohuan Zhu , Philip J. Armitage , Shirley Ho

Principal component analysis (PCA) is a key tool in the field of data dimensionality reduction. Various methods have been proposed to extend PCA to the union of subspace (UoS) setting for clustering data that comes from multiple subspaces…

Machine Learning · Statistics 2026-01-21 Javier Salazar Cavazos , Jeffrey A Fessler , Laura Balzano

We report a molecular dynamics simulation of a supercooled simple monatomic glass-forming liquid. It is found that the onset of the supercooled regime results in formation of distinct domains of slow diffusion which are confined to the…

Disordered Systems and Neural Networks · Physics 2009-11-07 Mikhail Dzugutov , Sergei I. Simdyankin , Fredrik H. M. Zetterling

From neuroscience and genomics to systems biology and ecology, researchers rely on clustering similarity data to uncover modular structure. Yet widely used clustering methods, such as hierarchical clustering, k-means, and WGCNA, lack…

Machine Learning · Statistics 2025-10-20 Magnus Neuman , Jelena Smiljanić , Martin Rosvall

Cluster analysis faces two problems in high dimensions: first, the `curse of dimensionality' that can lead to overfitting and poor generalization performance; and second, the sheer time taken for conventional algorithms to process large…

Quantitative Methods · Quantitative Biology 2013-09-12 Shabnam N. Kadir , Dan F. M. Goodman , Kenneth D. Harris

In Astrophysics, the identification of candidate Globular Clusters through deep, wide-field, single band HST images, is a typical data analytics problem, where methods based on Machine Learning have revealed a high efficiency and…

Instrumentation and Methods for Astrophysics · Physics 2017-10-12 Giuseppe Angora , Massimo Brescia , Giuseppe Riccio , Stefano Cavuoti , Maurizio Paolillo , Thomas H. Puzia

We describe a robust, fast, and memory-efficient procedure that can cluster millions of structures derived from molecular dynamics simulations. The essence of the method is based on a peak-picking algorithm applied to three- and…

Biomolecules · Quantitative Biology 2015-12-15 Athanasios S. Baltzis , Panagiotis I. Koukos , Nicholas M. Glykos

We present an analysis of the X-ray properties of the galaxy cluster population in the z=0 snapshot of the IllustrisTNG simulations, utilizing machine learning techniques to perform clustering and regression tasks. We examine five…

High-dimensional datasets often contain multiple meaningful clusterings in different subspaces. For example, objects can be clustered either by color, weight, or size, revealing different interpretations of the given dataset. A variety of…

Machine Learning · Computer Science 2025-04-08 Collin Leiber , Dominik Mautz , Claudia Plant , Christian Böhm

This paper describes a new method, HMM gauge likelihood analysis, or GLA, of detecting anomalies in discrete time series using Hidden Markov Models and clustering. At the center of the method lies the comparison of subsequences. To achieve…

Machine Learning · Computer Science 2020-09-22 Boris Lorbeer , Tanja Deutsch , Peter Ruppel , Axel Küpper

This letter presents a continuous probabilistic modeling methodology for spatial point cloud data using finite Gaussian Mixture Models (GMMs) where the number of components are adapted based on the scene complexity. Few hierarchical and…

Machine Learning · Computer Science 2023-03-14 Kshitij Goel , Nathan Michael , Wennie Tabib

We use the isoconfigurational (IC) ensemble to show the connection between emerging heterogeneities in the tetrahedral order parameter and the dynamic propensity in a mildly undercooled glass-forming liquid. We observe that spatially…

Soft Condensed Matter · Physics 2021-01-18 M Shajahan G Razul , Gurpreet S Matharoo , Balakrishnan Viswanathan

Our understanding of supercooled liquids and glasses has lagged significantly behind that of simple liquids and crystalline solids. This is in part due to the many possibly relevant degrees of freedom that are present due to the disorder…

Machine Learning · Statistics 2018-08-01 Samuel S. Schoenholz

PPGMMGA is a Projection Pursuit (PP) algorithm aimed at detecting and visualizing clustering structures in multivariate data. The algorithm uses the negentropy as PP index obtained by fitting Gaussian Mixture Models (GMMs) for density…

Methodology · Statistics 2021-10-22 Luca Scrucca

In this work, we propose an original method for aggregating multiple clustering coming from different sources of information. Each partition is encoded by a co-membership matrix between observations. Our approach uses a mixture of…

Machine Learning · Computer Science 2024-01-10 Kylliann De Santiago , Marie Szafranski , Christophe Ambroise

Sessile drying droplets manifest distinct morphological patterns, encompassing diverse systems viz., DNA, proteins, blood, and protein-liquid crystal (LC) complexes. This study employs an integrated methodology that combines drying droplet,…

Soft Condensed Matter · Physics 2024-01-23 Anusuya Pal , Amalesh Gope

We propose an effective subspace selection scheme as a post-processing step to improve results obtained by sparse subspace clustering (SSC). Our method starts by the computation of stable subspaces using a novel random sampling scheme. Thus…

Computer Vision and Pattern Recognition · Computer Science 2016-05-30 Duc-Son Pham , Ognjen Arandjelovic , Svetha Venkatesh

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

Traditional load analysis is facing challenges with the new electricity usage patterns due to demand response as well as increasing deployment of distributed generations, including photovoltaics (PV), electric vehicles (EV), and energy…

Machine Learning · Computer Science 2019-02-21 Yishen Wang , Xiao Lu , Yiran Xu , Di Shi , Zhehan Yi , Jiajun Duan , Zhiwei Wang