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Accurately measuring the translations of objects between images is essential in many fields, including biology, medicine, chemistry, and physics. One important application is tracking one or more particles by measuring their apparent…

Density-based clustering methodology has been widely considered in the statistical literature for classifying Euclidean observations. However, this approach has not been contemplated for directional data yet. In this work, directional…

Methodology · Statistics 2023-03-07 Paula Saavedra-Nieves , Martín Fernández-Pérez

Industrial control systems operate in dynamic environments where traffic distributions vary across scenarios, labeled samples are limited, and unknown attacks frequently emerge, posing significant challenges to cross-domain intrusion…

Machine Learning · Computer Science 2026-04-15 Luyao Wang

Spectral clustering approaches have led to well-accepted algorithms for finding accurate clusters in a given dataset. However, their application to large-scale datasets has been hindered by computational complexity of eigenvalue…

Machine Learning · Computer Science 2016-03-17 Shahzad Bhatti , Carolyn Beck , Angelia Nedic

Combinations of spectroscopic analysis and microscopic techniques are used across many disciplines of scientific research, including material science, chemistry and biology. X-ray spectromicroscopy, in particular, is a powerful tool used…

Medical Physics · Physics 2023-10-17 Oliver Townsend , Silvia Gazzola , Sergey Dolgov , Paul Quinn

We present an extension of density matrix based linear scaling electronic structure theory to incorporate spin degrees of freedom. When the spin multiplicity of the system can be predetermined, the generalization of the existing linear…

Materials Science · Physics 2007-05-23 H. J. Xiang , W. Z. Liang , Jinlong Yang , J. G. Hou , Qingshi Zhu

Clustering is a common task in machine learning, but clusters of unlabelled data can be hard to quantify. The application of clustering algorithms in chemistry is often dependant on material representation. Ascertaining the effects of…

Machine Learning · Computer Science 2023-05-29 Samantha Durdy , Michael W. Gaultois , Vladimir Gusev , Danushka Bollegala , Matthew J. Rosseinsky

Clustering of proteins is of interest in cancer cell biology. This article proposes a hierarchical Bayesian model for protein (variable) clustering hinging on correlation structure. Starting from a multivariate normal likelihood, we enforce…

Computation · Statistics 2022-02-09 Riddhi Pratim Ghosh , Arnab Kumar Maity , Mohsen Pourahmadi , Bani K. Mallick

The problem of estimating parameters of a deterministic jump or piecewise linear model is considered. A subspace technique referred to as spectral clustering on subspace (SCS) algorithm is proposed to estimate a set of linear model…

Methodology · Statistics 2013-07-02 Liang Li , Wei Dong , Yindong Ji , Lang Tong

The computational analysis of Mass Spectrometry Imaging (MSI) data aims at the identification of interesting mass co-localizations and the visualization of their lateral distribution in the sample, usually a tissue cross section. But as the…

Computer Vision and Pattern Recognition · Computer Science 2020-10-01 Karsten Wüllems , Tim W. Nattkemper

Cluster analysis, or clustering, plays a crucial role across numerous scientific and engineering domains. Despite the wealth of clustering methods proposed over the past decades, each method is typically designed for specific scenarios and…

Methodology · Statistics 2026-01-22 Siyi Wang , Alexandre Leblanc , Paul D. McNicholas

Materials exhibiting a substitutional disorder such as multicomponent alloys and mixed metal oxides/oxyfluorides are of great importance in many scientific and technological sectors. Disordered materials constitute an overwhelmingly large…

In computer vision, image segmentation is always selected as a major research topic by researchers. Due to its vital rule in image processing, there always arises the need of a better image segmentation method. Clustering is an unsupervised…

Computer Vision and Pattern Recognition · Computer Science 2015-06-08 Dibya Jyoti Bora , Anil Kumar Gupta

We investigate scaling rules for the ionization cross sections of multicharged ions on molecules of biological interest. The cross sections are obtained using a methodology presented in [Mendez et al. J. Phys B (2020)], which considers…

Atomic and Molecular Clusters · Physics 2020-06-16 Alejandra M. P. Mendez , Claudia C. Montanari , Jorge E. Miraglia

Datasets in high-dimension do not typically form clusters in their original space; the issue is worse when the number of points in the dataset is small. We propose a low-computation method to find statistically significant clustering…

Machine Learning · Statistics 2020-08-24 Alden Bradford , Tarun Yellamraju , Mireille Boutin

Linear and nonlinear dissipative structures emerge in the irradiated single and multi walled carbon nano-tubes in the form of collision cascades and thermal spikes. These are diagnosed by the information theoretic tools of fractal dimension…

Mesoscale and Nanoscale Physics · Physics 2019-02-08 Shoaib Ahmad , Sumera Javeed

Advanced materials often consist of multiple elements which are arranged in a complicated structure. Quantitative scanning transmission electron microscopy is useful to determine the composition and thickness of nanostructures at the atomic…

Applied Physics · Physics 2024-05-17 Zezhong Zhang , Ivan Lobato , Annick De Backer , Sandra Van Aert , Peter Nellist

Understanding interphase mass transfer is essential for a variety of applications in porous media, ranging from groundwater remediation to geologic energy storage. While X-ray micro-Computed Tomography (microCT) provides critical in situ…

Stochastic programming is widely used for energy system design optimization under uncertainty but can exponentially increase the computational complexity with the number of scenarios. Common scenario reduction techniques, like…

Optimization and Control · Mathematics 2025-08-14 Boyung Jürgens , Hagen Seele , Hendrik Schricker , Christiane Reinert , Niklas von der Assen

Molecular simulations produce very high-dimensional data-sets with millions of data points. As analysis methods are often unable to cope with so many dimensions, it is common to use dimensionality reduction and clustering methods to reach a…

Machine Learning · Statistics 2017-11-03 Stefan Doerr , Igor Ariz-Extreme , Matthew J. Harvey , Gianni De Fabritiis