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We introduce an unsupervised clustering algorithm to improve training efficiency and accuracy in predicting energies using molecular-orbital-based machine learning (MOB-ML). This work determines clusters via the Gaussian mixture model (GMM)…

Chemical Physics · Physics 2023-03-28 Lixue Cheng , Jiace Sun , Thomas F. Miller

Clustering analysis of sequence data continues to address many applications in engineering design, aided with the rapid growth of machine learning in applied science. This paper presents an unsupervised machine learning algorithm to extract…

Geophysics · Physics 2024-02-15 R. Bailey Bond , Pu Ren , Jerome F. Hajjar , Hao Sun

In this work, we study the problem of clustering survival data $-$ a challenging and so far under-explored task. We introduce a novel semi-supervised probabilistic approach to cluster survival data by leveraging recent advances in…

Application of K-Means algorithm is restricted by the fact that the number of clusters should be known beforehand. Previously suggested methods to solve this problem are either ad hoc or require parametric assumptions and complicated…

Machine Learning · Computer Science 2019-12-05 Sukavanan Nanjundan , Shreeviknesh Sankaran , C. R. Arjun , G. Paavai Anand

$k$-means clustering is a well-studied problem due to its wide applicability. Unfortunately, there exist strong theoretical limits on the performance of any algorithm for the $k$-means problem on worst-case inputs. To overcome this barrier,…

Machine Learning · Computer Science 2022-03-22 Jon C. Ergun , Zhili Feng , Sandeep Silwal , David P. Woodruff , Samson Zhou

In this work we perform a study of various unsupervised methods to identify mental stress in firefighter trainees based on unlabeled heart rate variability data. We collect RR interval time series data from nearly 100 firefighter trainees…

Machine Learning · Computer Science 2019-12-02 Ali Oskooei , Sophie Mai Chau , Jonas Weiss , Arvind Sridhar , María Rodríguez Martínez , Bruno Michel

The usage of convolutional neural networks (CNNs) for unsupervised image segmentation was investigated in this study. In the proposed approach, label prediction and network parameter learning are alternately iterated to meet the following…

Computer Vision and Pattern Recognition · Computer Science 2020-08-26 Wonjik Kim , Asako Kanezaki , Masayuki Tanaka

We introduce an advanced, swift pattern recognition strategy for various multiple robotics during curve negotiation. This method, leveraging a sophisticated k-means clustering-enhanced Support Vector Machine algorithm, distinctly…

Robotics · Computer Science 2024-05-07 Rui Liu , Xuanzhen Xu , Yuwei Shen , Armando Zhu , Chang Yu , Tianjian Chen , Ye Zhang

This paper presents a comprehensive comparative analysis of prominent clustering algorithms K-means, DBSCAN, and Spectral Clustering on high-dimensional datasets. We introduce a novel evaluation framework that assesses clustering…

Machine Learning · Computer Science 2025-07-31 Vishnu Vardhan Baligodugula , Fathi Amsaad

Clustering ensemble is one of the most recent advances in unsupervised learning. It aims to combine the clustering results obtained using different algorithms or from different runs of the same clustering algorithm for the same data set,…

Machine Learning · Computer Science 2012-08-22 Ashraf Mohammed Iqbal , Abidalrahman Moh'd , Zahoor Khan

Purpose: The primary goal of this study is to explore the application of evaluation metrics to different clustering algorithms using the data provided from the Canadian Longitudinal Study (CLSA), focusing on cognitive features. The…

Machine Learning · Computer Science 2025-05-19 ChenNingZhi Sheng

In this paper, we investigate the learning-augmented $k$-median clustering problem, which aims to improve the performance of traditional clustering algorithms by preprocessing the point set with a predictor of error rate $\alpha \in [0,1)$.…

Data Structures and Algorithms · Computer Science 2026-03-12 Kangke Cheng , Shihong Song , Guanlin Mo , Hu Ding

An analytic framework based on partial differential equations is derived for certain dynamic clustering methods. The proposed mathematical framework is based on the application of the conservation law in physics to characterize successive…

Methodology · Statistics 2013-07-11 Xiaogang Wang , Jianhong Wu

This work presents an unsupervised deep discriminant analysis for clustering. The method is based on deep neural networks and aims to minimize the intra-cluster discrepancy and maximize the inter-cluster discrepancy in an unsupervised…

Machine Learning · Computer Science 2022-06-13 Jinyu Cai , Wenzhong Guo , Jicong Fan

Unsupervised learning has become a staple in classical machine learning, successfully identifying clustering patterns in data across a broad range of domain applications. Surprisingly, despite its accuracy and elegant simplicity,…

Populations and Evolution · Quantitative Biology 2024-05-06 Yibo Kong , George P. Tiley , Claudia Solis-Lemus

Subtype Discovery consists in finding interpretable and consistent sub-parts of a dataset, which are also relevant to a certain supervised task. From a mathematical point of view, this can be defined as a clustering task driven by…

Machine Learning · Statistics 2021-07-06 Robin Louiset , Pietro Gori , Benoit Dufumier , Josselin Houenou , Antoine Grigis , Edouard Duchesnay

We combine K-means clustering with the least-squares kernel classification method. K-means clustering is used to extract a set of representative vectors for each class. The least-squares kernel method uses these representative vectors as a…

Machine Learning · Computer Science 2020-12-25 M. Andrecut

Clustering is a commonly used method for exploring and analysing data where the primary objective is to categorise observations into similar clusters. In recent decades, several algorithms and methods have been developed for analysing…

Machine Learning · Computer Science 2021-02-17 Bryar A. Hassan , Tarik A. Rashid

Clustering has long been a popular unsupervised learning approach to identify groups of similar objects and discover patterns from unlabeled data in many applications. Yet, coming up with meaningful interpretations of the estimated clusters…

Methodology · Statistics 2020-05-26 Minjie Wang , Tianyi Yao , Genevera I. Allen

This article proposes a novel density estimation based algorithm for carrying out supervised machine learning. The proposed algorithm features O(n) time complexity for generating a classifier, where n is the number of sampling instances in…

Machine Learning · Statistics 2007-11-06 Yen-Jen Oyang , Chien-Yu Chen , Darby Tien-Hao Chang , Chih-Peng Wu