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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

Similarity is a fundamental measure in network analyses and machine learning algorithms, with wide applications ranging from personalized recommendation to socio-economic dynamics. We argue that an effective similarity measurement should…

Physics and Society · Physics 2015-12-07 Jian-Guo Liu , Lei Hou , Xue Pan , Qiang Guo , Tao Zhou

We present the first method for assessing the relevance of a model-based clustering result in a general framework. Standard validation criteria, like the adjusted Rand index, rely on external labels to assess partition accuracy;…

Statistics Theory · Mathematics 2026-03-30 Salima El Kolei , Matthieu Marbac

Unsupervised clustering of feature matrix data is an indispensible technique for exploratory data analysis and quality control of experimental data. However, clusters are difficult to assess for statistical significance in an objective way.…

Statistics Theory · Mathematics 2021-10-01 James Mathews , Cameron Crowe , Rami Vanguri , Margaret Callahan , Travis Hollmann , Saad Nadeem

Many community detection algorithms require the introduction of a measure on the set of nodes. Previously, a lot of efforts have been made to find the top-performing measures. In most cases, experiments were conducted on several datasets or…

Social and Information Networks · Computer Science 2021-11-03 Rinat Aynulin

Performance of clustering algorithms is evaluated with the help of accuracy metrics. There is a great diversity of clustering algorithms, which are key components of many data analysis and exploration systems. However, there exist only few…

Data Structures and Algorithms · Computer Science 2019-02-18 Artem Lutov , Mourad Khayati , Philippe Cudré-Mauroux

To evaluate clustering results is a significant part of cluster analysis. Since there are no true class labels for clustering in typical unsupervised learning, many internal cluster validity indices (CVIs), which use predicted labels and…

Machine Learning · Computer Science 2021-06-21 Shuyue Guan , Murray Loew

In machine learning and data mining, Cluster analysis is one of the most widely used unsupervised learning technique. Philosophy of this algorithm is to find similar data items and group them together based on any distance function in…

Machine Learning · Statistics 2018-10-09 Kumarjit Pathak , Jitin Kapila

Measuring similarity between two objects is the core operation in existing clustering algorithms in grouping similar objects into clusters. This paper introduces a new similarity measure called point-set kernel which computes the similarity…

Machine Learning · Computer Science 2022-01-07 Kai Ming Ting , Jonathan R. Wells , Ye Zhu

The objective of clusterability evaluation is to check whether a clustering structure exists within the data set. As a crucial yet often-overlooked issue in cluster analysis, it is essential to conduct such a test before applying any…

Machine Learning · Computer Science 2025-01-07 Lianyu Hu , Junjie Dong , Mudi Jiang , Yan Liu , Zengyou He

Clustered standard errors and approximate randomization tests are popular inference methods that allow for dependence within observations. However, they require researchers to know the cluster structure ex ante. We propose a procedure to…

Econometrics · Economics 2022-01-14 Yong Cai

We consider the problem of clustering partially labeled data from a minimal number of randomly chosen pairwise comparisons between the items. We introduce an efficient local algorithm based on a power iteration of the non-backtracking…

Machine Learning · Computer Science 2018-06-28 Alaa Saade , Florent Krzakala , Marc Lelarge , Lenka Zdeborová

Clustering algorithms are widely utilized for many modern data science applications. This motivates the need to make outputs of clustering algorithms fair. Traditionally, new fair algorithmic variants to clustering algorithms are developed…

Machine Learning · Computer Science 2021-10-26 Anshuman Chhabra , Adish Singla , Prasant Mohapatra

Many similarity-based clustering methods work in two separate steps including similarity matrix computation and subsequent spectral clustering. However, similarity measurement is challenging because it is usually impacted by many factors,…

Machine Learning · Computer Science 2017-05-04 Zhao Kang , Chong Peng , Qiang Cheng

An impurity measures $I: \mathbb{R}^d \mapsto \mathbb{R}^+$ is a function that assigns a $d$-dimensional vector ${\bf v}$ to a non-negative value $I({\bf v})$ so that the more homogeneous ${\bf v}$, with respect to the values of its…

Data Structures and Algorithms · Computer Science 2019-11-19 Ferdinando Cicalese , Eduardo Laber

Quantum Clustering is a powerful method to detect clusters in data with mixed density. However, it is very sensitive to a length parameter that is inherent to the Schr\"odinger equation. In addition, linking data points into clusters…

With rapidly increasing data, clustering algorithms are important tools for data analytics in modern research. They have been successfully applied to a wide range of domains; for instance, bioinformatics, speech recognition, and financial…

Data Structures and Algorithms · Computer Science 2015-12-01 Ka-Chun Wong

Clustering is considered a non-supervised learning setting, in which the goal is to partition a collection of data points into disjoint clusters. Often a bound $k$ on the number of clusters is given or assumed by the practitioner. Many…

Machine Learning · Computer Science 2012-02-01 Nir Ailon , Ron Begleiter

We show that modularity, a quantity introduced in the study of networked systems, can be generalized and used in the clustering problem as an indicator for the quality of the solution. The introduction of this measure arises very naturally…

Statistical Mechanics · Physics 2009-11-11 L. Angelini , D. Marinazzo , M. Pellicoro , S. Stramaglia

Outlier detection and cluster number estimation is an important issue for clustering real data. This paper focuses on spectral clustering, a time-tested clustering method, and reveals its important properties related to outliers. The…

Computer Vision and Pattern Recognition · Computer Science 2017-03-06 Takuro Ina , Atsushi Hashimoto , Masaaki Iiyama , Hidekazu Kasahara , Mikihiko Mori , Michihiko Minoh