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$k$-Clustering in $\mathbb{R}^d$ (e.g., $k$-median and $k$-means) is a fundamental machine learning problem. While near-linear time approximation algorithms were known in the classical setting for a dataset with cardinality $n$, it remains…

Quantum Physics · Physics 2023-06-06 Yecheng Xue , Xiaoyu Chen , Tongyang Li , Shaofeng H. -C. Jiang

We develop novel clustering algorithms for functional data when the number of clusters $K$ is unknown and also when it is prefixed. These algorithms are developed based on the Maximum Mean Discrepancy (MMD) measure between two sets of…

Methodology · Statistics 2025-07-16 Sourav Chakrabarty , Anirvan Chakraborty , Shyamal K. De

Machine learning algorithms perform well on identifying patterns in many different datasets due to their versatility. However, as one increases the size of the dataset, the computation time for training and using these statistical models…

Quantum Physics · Physics 2024-09-19 Abhijat Sarma , Rupak Chatterjee , Kaitlin Gili , Ting Yu

Currently, identification of crystallization pathways in polymers is being carried out using molecular simulation-based data on a preset cut-off point on a single order parameter (OP) to define nucleated or crystallized regions. Aside from…

Computational Physics · Physics 2025-07-25 Elyar Tourani , Brian J. Edwards , Bamin Khomami

We developed a method for measuring the similarity between materials, focusing on specific physical properties. The obtained information can be utilized to understand the underlying mechanisms and to support the prediction of the physical…

Identifying the number $K$ of clusters in a dataset is one of the most difficult problems in clustering analysis. A choice of $K$ that correctly characterizes the features of the data is essential for building meaningful clusters. In this…

Methodology · Statistics 2019-05-06 Adriano Zanin Zambom , Julian A. Collazos , Ronaldo Dias

In a standard cluster analysis, such as k-means, in addition to clusters locations and distances between them, it's important to know if they are connected or well separated from each other. The main focus of this paper is discovering the…

Machine Learning · Statistics 2017-05-22 Evgeny Bauman , Konstantin Bauman

The problem of clustering a set of points moving on the line consists of the following: given positive integers n and k, the initial position and the velocity of n points, find an optimal k-clustering of the points. We consider two…

Computational Geometry · Computer Science 2015-12-23 Cristina G. Fernandes , Marcio T. I. Oshiro

While K-means is known to be a standard clustering algorithm, its performance may be compromised due to the presence of outliers and high-dimensional noisy variables. This paper proposes adaptively robust and sparse K-means clustering…

Computation · Statistics 2024-11-08 Hao Li , Shonosuke Sugasawa , Shota Katayama

We present a study on how to effectively reduce the dimensions of the $k$-means clustering problem, so that provably accurate approximations are obtained. Four algorithms are presented, two \textit{feature selection} and two \textit{feature…

Machine Learning · Computer Science 2020-07-28 Neophytos Charalambides

Similarity plays a fundamental role in many areas, including data mining, machine learning, statistics and various applied domains. Inspired by the success of ensemble methods and the flexibility of trees, we propose to learn a similarity…

Machine Learning · Computer Science 2019-08-29 Donghui Yan , Songxiang Gu , Ying Xu , Zhiwei Qin

In a geometric $k$-clustering problem the goal is to partition a set of points in $\mathbb{R}^d$ into $k$ subsets such that a certain cost function of the clustering is minimized. We present data structures for orthogonal range-clustering…

Computational Geometry · Computer Science 2017-05-18 Mikkel Abrahamsen , Mark de Berg , Kevin Buchin , Mehran Mehr , Ali D. Mehrabi

We study supervised learning problems using clustering constraints to impose structure on either features or samples, seeking to help both prediction and interpretation. The problem of clustering features arises naturally in text…

Machine Learning · Computer Science 2016-09-20 Vincent Roulet , Fajwel Fogel , Alexandre d'Aspremont , Francis Bach

Kernel-based clustering algorithms have the ability to capture the non-linear structure in real world data. Among various kernel-based clustering algorithms, kernel k-means has gained popularity due to its simple iterative nature and ease…

Computer Vision and Pattern Recognition · Computer Science 2014-02-18 Radha Chitta , Rong Jin , Timothy C. Havens , Anil K. Jain

In this paper a relative number density parameter, called the neighborhood function, is introduced so that the crowded nature of the neighborhood of individual sources can be described. With this parameter one can determine the probability…

Astrophysics · Physics 2009-11-13 Yi-Ping Qin , Lian-Zhong Lv , Fu-Wen Zhang , Bin-Bin Zhang , Jin Zhang

In this study, we establish a basis for selecting similarity measures when applying machine learning techniques to solve materials science problems. This selection is considered with an emphasis on the distinctiveness between materials that…

Machine Learning · Computer Science 2019-03-27 Tran-Thai Dang , Tien-Lam Pham , Hiori Kino , Takashi Miyake , Hieu-Chi Dam

Clustering can be defined as the process of assembling objects into a number of groups whose elements are similar to each other in some manner. As a technique that is used in many domains, such as face clustering, plant categorization,…

Machine Learning · Computer Science 2022-04-05 Mehmet F. Demirel , Enrico Au-Yeung

Comparison of three kind of the clustering and find cost function and loss function and calculate them. Error rate of the clustering methods and how to calculate the error percentage always be one on the important factor for evaluating the…

Machine Learning · Computer Science 2014-11-14 Kamran Kowsari

The diameter $k$-clustering problem is the problem of partitioning a finite subset of $\mathbb{R}^d$ into $k$ subsets called clusters such that the maximum diameter of the clusters is minimized. One early clustering algorithm that computes…

Data Structures and Algorithms · Computer Science 2014-03-10 Marcel R. Ackermann , Johannes Blömer , Daniel Kuntze , Christian Sohler

Given a point set S and an unknown metric d on S, we study the problem of efficiently partitioning S into k clusters while querying few distances between the points. In our model we assume that we have access to one versus all queries that…

Data Structures and Algorithms · Computer Science 2011-05-10 Konstantin Voevodski , Maria-Florina Balcan , Heiko Roglin , Shang-Hua Teng , Yu Xia