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Cryo-Electron Tomography (cryo-ET) is a 3D imaging technology that enables the visualization of subcellular structures in situ at near-atomic resolution. Cellular cryo-ET images help in resolving the structures of macromolecules and…

Quantitative Methods · Quantitative Biology 2021-11-18 Hmrishav Bandyopadhyay , Zihao Deng , Leiting Ding , Sinuo Liu , Mostofa Rafid Uddin , Xiangrui Zeng , Sima Behpour , Min Xu

Assignment methods are at the heart of many algorithms for unsupervised learning and clustering - in particular, the well-known K-means and Expectation-Maximization (EM) algorithms. In this work, we study several different methods of…

Machine Learning · Computer Science 2013-02-08 Michael Kearns , Yishay Mansour , Andrew Y. Ng

$K$-means clustering is one of the most widely-used partitioning algorithm in cluster analysis due to its simplicity and computational efficiency. However, $K$-means does not provide an appropriate clustering result when applying to data…

Methodology · Statistics 2021-03-18 Bingling Wang , Yinxing Li , Wolfgang Karl Härdle

K-means is one of the most widely used clustering algorithms in various disciplines, especially for large datasets. However the method is known to be highly sensitive to initial seed selection of cluster centers. K-means++ has been proposed…

Machine Learning · Computer Science 2016-04-19 Fouad Khan

Over the past decade, cryogenic electron microscopy (cryo-EM) has emerged as a primary method for determining near-native, near-atomic resolution 3D structures of biological macromolecules. In order to meet increasing demand for cryo-EM,…

Image and Video Processing · Electrical Eng. & Systems 2022-01-19 Paul T. Kim , Alex J. Noble , Anchi Cheng , Tristan Bepler

Clustering, a fundamental activity in unsupervised learning, is notoriously difficult when the feature space is high-dimensional. Fortunately, in many realistic scenarios, only a handful of features are relevant in distinguishing clusters.…

Machine Learning · Statistics 2020-10-23 Zhiyue Zhang , Kenneth Lange , Jason Xu

Clustering is a fundamental unsupervised learning approach. Many clustering algorithms -- such as $k$-means -- rely on the euclidean distance as a similarity measure, which is often not the most relevant metric for high dimensional data…

Machine Learning · Computer Science 2019-10-22 Aude Genevay , Gabriel Dulac-Arnold , Jean-Philippe Vert

We revisit the topic of common lines between projection images in single particle cryo-electron microscopy (cryo-EM). We derive a novel low-rank constraint on a certain $2n \times n$ matrix storing properly-scaled basis vectors for the…

Optimization and Control · Mathematics 2024-06-10 Tommi Muller , Adriana L. Duncan , Eric J. Verbeke , Joe Kileel

Single-particle electron cryomicroscopy (cryo-EM) is an increasingly popular technique for elucidating the three-dimensional structure of proteins and other biologically significant complexes at near-atomic resolution. It is an imaging…

Computational Physics · Physics 2020-04-01 Amit Singer , Fred J. Sigworth

Cluster analysis methods seek to partition a data set into homogeneous subgroups. It is useful in a wide variety of applications, including document processing and modern genetics. Conventional clustering methods are unsupervised, meaning…

Methodology · Statistics 2014-07-11 Eric Bair

Single-particle cryo-electron microscopy (cryo-EM) has recently joined X-ray crystallography and NMR spectroscopy as a high-resolution structural method to resolve biological macromolecules. In a cryo-EM experiment, the microscope produces…

Information Theory · Computer Science 2022-10-28 Tamir Bendory , Nicolas Boumal , William Leeb , Eitan Levin , Amit Singer

In recent years, an abundance of new molecular structures have been elucidated using cryo-electron microscopy (cryo-EM), largely due to advances in hardware technology and data processing techniques. Owing to these new exciting…

Information Theory · Computer Science 2020-04-22 Tamir Bendory , Alberto Bartesaghi , Amit Singer

In addition to finding meaningful clusters, centroid-based clustering algorithms such as K-means or mean-shift should ideally find centroids that are valid patterns in the input space, representative of data in their cluster. This is…

Machine Learning · Computer Science 2014-06-17 Weiran Wang , Miguel Á. Carreira-Perpiñán

We employ unsupervised machine learning to enhance the accuracy of our recently presented scaling method for wave confinement analysis [1]. We employ the standard k-means++ algorithm as well as our own model-based algorithm. We investigate…

Supervised classification can be effective for prediction but sometimes weak on interpretability or explainability (XAI). Clustering, on the other hand, tends to isolate categories or profiles that can be meaningful but there is no…

Machine Learning · Computer Science 2021-04-27 Vincent Lemaire , Oumaima Alaoui Ismaili , Antoine Cornuéjols , Dominique Gay

This paper presents a comparative analysis of different optimization techniques for the K-means algorithm in the context of big data. K-means is a widely used clustering algorithm, but it can suffer from scalability issues when dealing with…

Machine Learning · Computer Science 2024-05-21 Ravil Mussabayev , Rustam Mussabayev

We present MIX'EM, a novel solution for unsupervised image classification. MIX'EM generates representations that by themselves are sufficient to drive a general-purpose clustering algorithm to deliver high-quality classification. This is…

Computer Vision and Pattern Recognition · Computer Science 2020-10-06 Ali Varamesh , Tinne Tuytelaars

K-means is an effective clustering technique used to separate similar data into groups based on initial centroids of clusters. In this paper, Normalization based K-means clustering algorithm(N-K means) is proposed. Proposed N-K means…

Machine Learning · Computer Science 2015-03-04 Deepali Virmani , Shweta Taneja , Geetika Malhotra

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

K-Means algorithm is a popular clustering method. However, it has two limitations: 1) it gets stuck easily in spurious local minima, and 2) the number of clusters k has to be given a priori. To solve these two issues, a multi-prototypes…

Machine Learning · Computer Science 2023-02-15 Dong Li , Shuisheng Zhou , Tieyong Zeng , Raymond H. Chan