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A new approach is presented to obtain candidate structures from atomic pair distribution function (PDF) data in a highly automated way. It fetches, from web-based structural databases, all the structures meeting the experimenter's search…

Materials Science · Physics 2020-05-07 Long Yang , Pavol Juhás , Maxwell W. Terban , Matthew G. Tucker , Simon J. L. Billinge

The properties and applications of metallic nanoparticles are inseparably connected not only to their detailed morphology and composition, but also to their structural configuration and mutual interactions. As a result, the assemblies often…

Clustering is an essential data mining tool that aims to discover inherent cluster structure in data. For most applications, applying clustering is only appropriate when cluster structure is present. As such, the study of clusterability,…

Machine Learning · Statistics 2018-10-30 A. Adolfsson , M. Ackerman , N. C. Brownstein

In metallic nanoparticles, the cluster geometric structures control the particle's electronic band structure, polarizability, and catalytic properties. Analyzing the structural properties is a complex problem; the structure of an assembled…

Materials Science · Physics 2022-10-12 Jiale Shi , Shanghui Huang , François Gygi , Jonathan K. Whitmer

Cluster analysis which focuses on the grouping and categorization of similar elements is widely used in various fields of research. Inspired by the phenomenon of atomic fission, a novel density-based clustering algorithm is proposed in this…

Machine Learning · Computer Science 2020-04-28 Shizhan Lu

A general method to obtain a representation of the structural landscape of nanoparticles in terms of a limited number of variables is proposed. The method is applied to a large dataset of parallel tempering molecular dynamics simulations of…

Cluster analysis is one of the essential tasks in data mining and knowledge discovery. Each type of data poses unique challenges in achieving relatively efficient partitioning of the data into homogeneous groups. While the algorithms for…

Machine Learning · Computer Science 2018-12-11 Ruben A. Gevorgyan , Yenok B. Hakobyan

For each partition of a data set into a given number of parts there is a partition such that every part is as much as possible a good model (an "algorithmic sufficient statistic") for the data in that part. Since this can be done for every…

Machine Learning · Computer Science 2022-10-17 Andrew R. Cohen , Paul M. B. Vitányi

As a kind of basic machine learning method, clustering algorithms group data points into different categories based on their similarity or distribution. We present a clustering algorithm by finding hyper-planes to distinguish the data…

Computer Vision and Pattern Recognition · Computer Science 2020-04-28 Luhong Diao , Jinying Gao1 , Manman Deng

Machine learning techniques can reveal hidden structure in large data amounts and can potentially extent or even replace analytical scientific methods. In nanophotonics, modes can increase the light yield from emitters located inside the…

Optics · Physics 2018-10-02 Carlo Barth , Christiane Becker

We survey the application of a relatively new branch of statistical physics--"community detection"-- to data mining. In particular, we focus on the diagnosis of materials and automated image segmentation. Community detection describes the…

Materials Science · Physics 2017-11-22 Z. Nussinov , P. Ronhovde , Dandan Hu , S. Chakrabarty , M. Sahu , Bo Sun , N. A. Mauro , K. K. Sahu

The structure of nanoclusters is complex to describe due to their noncrystallinity, even though bonding and packing constraints limit the local atomic arrangements to only a few types. A computational scheme is presented to extract…

Materials Science · Physics 2009-11-13 Zhu Yang , Lei-Han Tang

We consider clustering in group decision making where the opinions are given by pairwise comparison matrices. In particular, the k-medoids model is suggested to classify the matrices since it has a linear programming problem formulation…

Optimization and Control · Mathematics 2025-04-17 Kolos Csaba Ágoston , Sándor Bozóki , László Csató

Clustering is a widely used technique in data mining applications for discovering patterns in underlying data. Most traditional clustering algorithms are limited to handling datasets that contain either numeric or categorical attributes.…

Artificial Intelligence · Computer Science 2007-05-23 Zengyou He , Xiaofei Xu , Shengchun Deng

The increasing needs of clustering massive datasets and the high cost of running clustering algorithms poses difficult problems for users. In this context it is important to determine if a data set is clusterable, that is, it may be…

Machine Learning · Computer Science 2020-01-08 Dan Simovici , Kaixun Hua

Text Clustering is a text mining technique which divides the given set of text documents into significant clusters. It is used for organizing a huge number of text documents into a well-organized form. In the majority of the clustering…

Information Retrieval · Computer Science 2015-03-12 G. Hannah Grace , Kalyani Desikan

Clustering provides a common means of identifying structure in complex data, and there is renewed interest in clustering as a tool for the analysis of large data sets in many fields. A natural question is how many clusters are appropriate…

Data Analysis, Statistics and Probability · Physics 2007-05-23 Susanne Still , William Bialek

A novel nonparametric clustering algorithm is proposed using the interpoint distances between the members of the data to reveal the inherent clustering structure existing in the given set of data, where we apply the classical nonparametric…

Methodology · Statistics 2024-09-02 Soumita Modak

This paper presents a new, parallel implementation of clustering and demonstrates its utility in greatly speeding up the process of identifying homologous proteins. Clustering is a technique to reduce the number of comparison needed to find…

Distributed, Parallel, and Cluster Computing · Computer Science 2019-08-29 Stuart Byma , Akash Dhasade , Adrian Altenhoff , Christophe Dessimoz , James R. Larus

In this paper, we study nanoparticles with constituent atoms ranging from dozens to hundreds of them. These types of particles display structural and magnetic properties that strongly depend on the number of constituents N. The metal…

Mesoscale and Nanoscale Physics · Physics 2010-02-09 Karina L. D. Barturen H. , F. A. R. Navarro , Justo T Rojas
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