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A number of computer-generated models of water, methanol and ethanol are considered at room temperature and ambient pressure, and also as a function of temperature (for water and ethanol), and the potential model (for water only). The…

化学物理 · 物理学 2019-06-12 I. Bakó , I. Pethes , Sz. Pothoczki , L. Pusztai

Spectral clustering is a popular algorithm that clusters points using the eigenvalues and eigenvectors of Laplacian matrices derived from the data. For years, spectral clustering has been working mysteriously. This paper explains spectral…

机器学习 · 统计学 2021-03-02 T Shen

Networks or graphs can easily represent a diverse set of data sources that are characterized by interacting units or actors. Social networks, representing people who communicate with each other, are one example. Communities or clusters of…

机器学习 · 统计学 2011-12-14 Karl Rohe , Sourav Chatterjee , Bin Yu

Consistency is a key property of all statistical procedures analyzing randomly sampled data. Surprisingly, despite decades of work, little is known about consistency of most clustering algorithms. In this paper we investigate consistency of…

统计理论 · 数学 2008-12-18 Ulrike von Luxburg , Mikhail Belkin , Olivier Bousquet

In this paper we prove the strong consistency of several methods based on the spectral clustering techniques that are widely used to study the community detection problem in stochastic block models (SBMs). We show that under some weak…

统计方法学 · 统计学 2019-05-16 Liangjun Su , Wuyi Wang , Yichong Zhang

In spectral clustering, one defines a similarity matrix for a collection of data points, transforms the matrix to get the Laplacian matrix, finds the eigenvectors of the Laplacian matrix, and obtains a partition of the data using the…

机器学习 · 计算机科学 2012-10-19 Leonard K. M. Poon , April H. Liu , Tengfei Liu , Nevin Lianwen Zhang

We study the size of clusters formed by water molecules possessing large enough tetrahedrality with respect to their nearest neighbors. Using Monte Carlo simulation of the SPC/E model of water, together with a geometric analysis based on…

统计力学 · 物理学 2009-11-07 Jeffrey R. Errington , Pablo G. Debenedetti , Salvatore Torquato

Kernel spectral clustering corresponds to a weighted kernel principal component analysis problem in a constrained optimization framework. The primal formulation leads to an eigen-decomposition of a centered Laplacian matrix at the dual…

社会与信息网络 · 计算机科学 2014-12-03 Raghvendra Mall , Rocco Langone , Johan A. K. Suykens

We present a principled spectral approach to the well-studied constrained clustering problem. It reduces clustering to a generalized eigenvalue problem on Laplacians. The method works in nearly-linear time and provides concrete guarantees…

社会与信息网络 · 计算机科学 2016-01-20 Mihai Cucuringu , Ioannis Koutis , Sanjay Chawla

One of the fundamental problems in network analysis is detecting community structure in multi-layer networks, of which each layer represents one type of edge information among the nodes. We propose integrative spectral clustering approaches…

机器学习 · 统计学 2022-10-07 Sihan Huang , Haolei Weng , Yang Feng

Spectral clustering is one of the most important algorithms in data mining and machine intelligence; however, its computational complexity limits its application to truly large scale data analysis. The computational bottleneck in spectral…

机器学习 · 计算机科学 2015-05-13 Christos Boutsidis , Alex Gittens , Prabhanjan Kambadur

We present the first successful application of the coupled cluster approach to simulate the X-ray absorption (XA) spectrum of liquid water. The system size limitations of standard coupled cluster theory are overcome by employing a newly…

The splitting of the principal peak in the structure factor of liquid water is commonly interpreted as evidence of a competition between two distinct local environments. Here, we show that this peak splitting arises from medium-range…

软凝聚态物质 · 物理学 2026-01-12 Zoé Faure Beaulieu , Volker L. Deringer , Fausto Martelli

Spectral clustering is one of the most popular clustering methods for finding clusters in a graph, which has found many applications in data mining. However, the input graph in those applications may have many missing edges due to error in…

数据结构与算法 · 计算机科学 2020-06-09 Pan Peng , Yuichi Yoshida

We study the connections between spectral clustering and the problems of maximum margin clustering, and estimation of the components of level sets of a density function. Specifically, we obtain bounds on the eigenvectors of graph Laplacian…

机器学习 · 统计学 2018-12-18 David P. Hofmeyr

This article proposes a first analysis of kernel spectral clustering methods in the regime where the dimension $p$ of the data vectors to be clustered and their number $n$ grow large at the same rate. We demonstrate, under a $k$-class…

统计理论 · 数学 2016-04-22 Romain Couillet , Florent Benaych-Georges

Higher-order structures of networks, namely, small subgraphs of networks (also called network motifs), are widely known to be crucial and essential to the organization of networks. There has been a few work studying the community detection…

统计方法学 · 统计学 2023-04-14 Xiao Guo , Hai Zhang , Xiangyu Chang

Spectral clustering is a fast and popular algorithm for finding clusters in networks. Recently, Chaudhuri et al. (2012) and Amini et al.(2012) proposed inspired variations on the algorithm that artificially inflate the node degrees for…

机器学习 · 统计学 2013-09-18 Tai Qin , Karl Rohe

Our previous experiments demonstrated that subsets collections of (short) documents (with several hundred entries) share a common normalized in some way eigenvalue spectrum of combinatorial Laplacian. Based on this insight, we propose a…

机器学习 · 计算机科学 2023-08-23 Mieczysław A. Kłopotek , Bartłmiej Starosta , Sławomir T. Wierzchoń

We present a simple spectral approach to the well-studied constrained clustering problem. It captures constrained clustering as a generalized eigenvalue problem with graph Laplacians. The algorithm works in nearly-linear time and provides…

社会与信息网络 · 计算机科学 2016-01-20 Mihai Cucuringu , Ioannis Koutis , Sanjay Chawla , Gary Miller , Richard Peng
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