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Determining the appropriate number of clusters in unsupervised learning is a central problem in statistics and data science. Traditional validity indices such as Calinski-Harabasz, Silhouette, and Davies-Bouldin-depend on centroid-based…

Machine Learning · Statistics 2025-10-17 Mohammed Baragilly , Hend Gabr

This paper concerns the critical decision process of extracting or selecting the features before applying a clustering algorithm. It is not obvious to evaluate the importance of the features since the most popular methods to do it are…

Machine Learning · Computer Science 2021-11-23 Jean-Sebastien Dessureault , Daniel Massicotte

Clustering large, mixed data is a central problem in data mining. Many approaches adopt the idea of k-means, and hence are sensitive to initialisation, detect only spherical clusters, and require a priori the unknown number of clusters. We…

Machine Learning · Statistics 2020-11-13 Joshua Tobin , Mimi Zhang

Recent work has proposed and explored using coreset techniques for quantum algorithms that operate on classical data sets to accelerate the applicability of these algorithms on near-term quantum devices. We apply these ideas to Quantum…

Quantum Physics · Physics 2023-07-28 Joshua Viszlai , Teague Tomesh , Pranav Gokhale , Eric Anschuetz , Frederic T. Chong

Deep neural networks have recently achieved state of the art performance thanks to new training algorithms for rapid parameter estimation and new regularization methods to reduce overfitting. However, in practice the network architecture…

Machine Learning · Computer Science 2016-03-04 Minyoung Kim , Luca Rigazio

The task of labeling data for training deep neural networks is daunting and tedious, requiring millions of labels to achieve the current state-of-the-art results. Such reliance on large amounts of labeled data can be relaxed by exploiting…

Machine Learning · Computer Science 2016-02-17 Aysegul Dundar , Jonghoon Jin , Eugenio Culurciello

Distance-based clustering and classification are widely used in various fields to group mixed numeric and categorical data. In many algorithms, a predefined distance measurement is used to cluster data points based on their dissimilarity.…

Machine Learning · Computer Science 2024-10-14 Jesse S. Ghashti , John R. J. Thompson

This paper introduces a new framework for clustering in a distributed network called Distributed Clustering based on Distributional Kernel (K) or KDC that produces the final clusters based on the similarity with respect to the distributions…

Machine Learning · Computer Science 2024-09-17 Hang Zhang , Yang Xu , Lei Gong , Ye Zhu , Kai Ming Ting

The goal of data clustering is to partition data points into groups to minimize a given objective function. While most existing clustering algorithms treat each data point as vector, in many applications each datum is not a vector but a…

Machine Learning · Statistics 2017-03-16 Dinh Phung , Ba-Ngu Bo

The combination of Markov state modeling (MSM) and molecular dynamics (MD) simulations has been shown in recent years to be a valuable approach to unravel the slow processes of molecular systems with increasing complexity. While the…

Computational Physics · Physics 2024-05-29 R. Gregor Weiß , Benjamin Ries , Shuzhe Wang , Sereina Riniker

Clustering is a core task in machine learning with wide-ranging applications in data mining and pattern recognition. However, its unsupervised nature makes it inherently challenging. Many existing clustering algorithms suffer from critical…

Machine Learning · Computer Science 2025-07-29 Ahmed Shokry , Ayman Khalafallah

Continuous-time Bayesian networks (CTBNs) constitute a general and powerful framework for modeling continuous-time stochastic processes on networks. This makes them particularly attractive for learning the directed structures among…

Machine Learning · Statistics 2018-10-15 Dominik Linzner , Heinz Koeppl

In this study, a novel machine learning algorithm, restricted Boltzmann machine (RBM), is introduced. The algorithm is applied for the spectral classification in astronomy. RBM is a bipartite generative graphical model with two separate…

Machine Learning · Computer Science 2013-10-15 Fuqiang Chen , Yan Wu , Yude Bu , Guodong Zhao

DBSCAN is a typically used clustering algorithm due to its clustering ability for arbitrarily-shaped clusters and its robustness to outliers. Generally, the complexity of DBSCAN is O(n^2) in the worst case, and it practically becomes more…

Databases · Computer Science 2018-01-23 Thapana Boonchoo , Xiang Ao , Qing He

Traditional clustering methods often perform clustering with low-level indiscriminative representations and ignore relationships between patterns, resulting in slight achievements in the era of deep learning. To handle this problem, we…

Machine Learning · Computer Science 2019-05-07 Jianlong Chang , Yiwen Guo , Lingfeng Wang , Gaofeng Meng , Shiming Xiang , Chunhong Pan

A novel combination of two widely-used clustering algorithms is proposed here for the detection and reduction of high data density regions. The Density Based Spatial Clustering of Applications with Noise (DBSCAN) algorithm is used for the…

Computational Physics · Physics 2023-07-19 Bart J. J. Kremers , Aaron Ho , Jonathan Citrin , Karel L. van de Plassche

We present an unsupervised data processing workflow that is specifically designed to obtain a fast conformational clustering of long molecular dynamics simulation trajectories. In this approach we combine two dimensionality reduction…

Chemical Physics · Physics 2023-08-09 Simon Hunkler , Kay Diederichs , Oleksandra Kukharenko , Christine Peter

In this study, we propose a novel data-driven reduced-order model for complex dynamics, including nonlinear, multi-attractor, multi-frequency, and multiscale behaviours. The starting point is a fully automatable cluster-based network model…

Fluid Dynamics · Physics 2024-03-04 Chang Hou , Nan Deng , Bernd R. Noack

Background: Clustering of nodes in Bayesian Networks (BNs) and related graphical models such as Dynamic BNs (DBNs) has been demonstrated to enhance computational efficiency and improve model learning. It typically involves partitioning the…

Data Structures and Algorithms · Computer Science 2025-12-24 Paul Pao-Yen Wu , Fabrizio Ruggeri , Kerrie Mengersen

Clustering algorithms are one of the main analytical methods to detect patterns in unlabeled data. Existing clustering methods typically treat samples in a dataset as points in a metric space and compute distances to group together similar…

Machine Learning · Computer Science 2021-10-12 Tarek Naous , Srinjay Sarkar , Abubakar Abid , James Zou
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