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In this work, we focus on connections between $K$-means clustering approaches and Orthogonal Nonnegative Matrix Factorization (ONMF) methods. We present a novel framework to extract the distance measure and the centroids of the $K$-means…

Numerical Analysis · Mathematics 2021-12-15 Pascal Fernsel , Peter Maass

Unsupervised machine learning, and in particular data clustering, is a powerful approach for the analysis of datasets and identification of characteristic features occurring throughout a dataset. It is gaining popularity across scientific…

Mesoscale and Nanoscale Physics · Physics 2021-03-23 Maria El Abbassi , Jan Overbeck , Oliver Braun , Michel Calame , Herre S. J. van der Zant , Mickael L. Perrin

Nonnegative matrix factorization (NMF) is a powerful tool in data exploratory analysis by discovering the hidden features and part-based patterns from high-dimensional data. NMF and its variants have been successfully applied into diverse…

Computer Vision and Pattern Recognition · Computer Science 2017-07-27 Lihua Zhang , Shihua Zhang

Feature selection is important for high-dimensional data analysis and is non-trivial in unsupervised learning problems such as dimensionality reduction and clustering. The goal of unsupervised feature selection is finding a subset of…

Machine Learning · Computer Science 2024-11-26 Ziheng Sun , Chris Ding , Jicong Fan

Non-negative matrix factorization (NMF) is a fundamental matrix decomposition technique that is used primarily for dimensionality reduction and is increasing in popularity in the biological domain. Although finding a unique NMF is generally…

Information Theory · Computer Science 2021-08-23 Rami Nasser , Yonina C. Eldar , Roded Sharan

Non-negative Matrix Factorization (NMF) methods offer an appealing unsupervised learning method for real-time analysis of streaming spectral data in time-sensitive data collection, such as $\textit{in situ}$ characterization of materials.…

Applied Physics · Physics 2024-06-12 Phillip M. Maffettone , Aidan C. Daly , Daniel Olds

We propose a geometric assumption on nonnegative data matrices such that under this assumption, we are able to provide upper bounds (both deterministic and probabilistic) on the relative error of nonnegative matrix factorization (NMF). The…

Machine Learning · Statistics 2017-08-02 Zhaoqiang Liu , Vincent Y. F. Tan

Motivated by the needs of estimating the proximity clustering with partial distance measurements from vantage points or landmarks for remote networked systems, we show that the proximity clustering problem can be effectively formulated as…

Machine Learning · Computer Science 2020-08-11 Yongquan Fu

$K$-means clustering is a widely used machine learning method for identifying patterns in large datasets. Recently, semidefinite programming (SDP) relaxations have been proposed for solving the $K$-means optimization problem, which enjoy…

Machine Learning · Statistics 2024-04-16 Yubo Zhuang , Xiaohui Chen , Yun Yang , Richard Y. Zhang

Symmetric nonnegative matrix factorization (symNMF) is a variant of nonnegative matrix factorization (NMF) that allows to handle symmetric input matrices and has been shown to be particularly well suited for clustering tasks. In this paper,…

Numerical Analysis · Mathematics 2020-03-11 François Moutier , Arnaud Vandaele , Nicolas Gillis

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

Non-negative matrix factorization (NMF) is a matrix decomposition problem with applications in unsupervised learning. The general form of this problem (along with many of its variants) is NP-hard in nature. In our work, we explore how this…

Analysis of reactive-diffusion simulations requires a large number of independent model runs. For each high-fidelity simulation, inputs are varied and the predicted mixing behavior is represented by changes in species concentration. It is…

Computational Engineering, Finance, and Science · Computer Science 2019-07-24 V. V. Vesselinov , M. K. Mudunuru , S. Karra , D. O. Malley , B. S. Alexandrov

Symmetric Nonnegative Matrix Factorization (SNMF) models arise naturally as simple reformulations of many standard clustering algorithms including the popular spectral clustering method. Recent work has demonstrated that an elementary…

Computer Vision and Pattern Recognition · Computer Science 2016-09-20 Reza Borhani , Jeremy Watt , Aggelos Katsaggelos

Semi-supervised symmetric non-negative matrix factorization (SNMF) utilizes the available supervisory information (usually in the form of pairwise constraints) to improve the clustering ability of SNMF. The previous methods introduce the…

Machine Learning · Computer Science 2024-10-29 Yuheng Jia , Jia-Nan Li , Wenhui Wu , Ran Wang

Multi-view clustering has attracted broad attention due to its capacity to utilize consistent and complementary information among views. Although tremendous progress has been made recently, most existing methods undergo high complexity,…

Machine Learning · Computer Science 2023-06-28 Xinhang Wan , Jiyuan Liu , Xinwang Liu , Siwei Wang , Yi Wen , Tianjiao Wan , Li Shen , En Zhu

Selective Laser Melting (SLM) is a powder-bed additive manufacturing technique whose part quality depends critically on feedstock morphology. However, conventional powder characterization methods are low-throughput and qualitative, failing…

Computer Vision and Pattern Recognition · Computer Science 2025-12-10 Emmanuel Akeweje , Conall Kirk , Chi-Wai Chan , Denis Dowling , Mimi Zhang

Medical image analysis using supervised deep learning methods remains problematic because of the reliance of deep learning methods on large amounts of labelled training data. Although medical imaging data repositories continue to expand…

Computer Vision and Pattern Recognition · Computer Science 2019-06-11 Euijoon Ahn , Ashnil Kumar , Dagan Feng , Michael Fulham , Jinman Kim

Hyperspectral unmixing has been an important technique that estimates a set of endmembers and their corresponding abundances from a hyperspectral image (HSI). Nonnegative matrix factorization (NMF) plays an increasingly significant role in…

Computer Vision and Pattern Recognition · Computer Science 2022-05-23 Xin-Ru Feng , Heng-Chao Li , Rui Wang , Qian Du , Xiuping Jia , Antonio Plaza

K-means -- and the celebrated Lloyd algorithm -- is more than the clustering method it was originally designed to be. It has indeed proven pivotal to help increase the speed of many machine learning and data analysis techniques such as…

Machine Learning · Computer Science 2019-08-26 Luc Giffon , Valentin Emiya , Liva Ralaivola , Hachem Kadri