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We describe a new approach based on semiclassical molecular dynamics that allows to simulate infrared absorption or emission spectra of molecular systems with inclusion of anharmonic intensities. This is achieved from semiclassical power…

Chemical Physics · Physics 2018-11-12 Marco Micciarelli , Riccardo Conte , Jaime Suarez , Michele Ceotto

Spectral algorithms are graph partitioning algorithms that partition a node set of a graph into groups by using a spectral embedding map. Clustering techniques based on the algorithms are referred to as spectral clustering and are widely…

Machine Learning · Computer Science 2021-09-08 Tomohiko Mizutani

Semi-discrete optimal transport (SOT), which maps a continuous probability measure to a discrete one, is a fundamental problem with wide-ranging applications. Entropic regularization is often employed to solve the SOT problem, leading to a…

Numerical Analysis · Mathematics 2025-08-01 Moaad Khamlich , Francesco Romor , Gianluigi Rozza

Recovering low-rank structures via eigenvector perturbation analysis is a common problem in statistical machine learning, such as in factor analysis, community detection, ranking, matrix completion, among others. While a large variety of…

Statistics Theory · Mathematics 2019-05-06 Emmanuel Abbe , Jianqing Fan , Kaizheng Wang , Yiqiao Zhong

This paper studies an optimization problem on the sum of traces of matrix quadratic forms in $m$ semi-orthogonal matrices, which can be considered as a generalization of the synchronization of rotations. While the problem is nonconvex, the…

Optimization and Control · Mathematics 2021-10-13 Joong-Ho Won , Teng Zhang , Hua Zhou

We introduce new numerical integration operators which compose the mass and stiffness matrices of a modified spectral element method for simulation of elastic wave propagation. While these operators use the same quadrature nodes as does the…

Computational Physics · Physics 2019-02-18 Kei Hasegawa , Nobuaki Fuji , Kensuke Konishi

We introduce a principled and theoretically sound spectral method for $k$-way clustering in signed graphs, where the affinity measure between nodes takes either positive or negative values. Our approach is motivated by social balance…

Machine Learning · Statistics 2019-05-21 Mihai Cucuringu , Peter Davies , Aldo Glielmo , Hemant Tyagi

Joint diagonalization of a set of positive (semi)-definite matrices has a wide range of analytical applications, such as estimation of common principal components, estimation of multiple variance components, and blind signal separation.…

Numerical Analysis · Mathematics 2021-10-08 Ronald de Vlaming , Eric A. W. Slob

We consider spectral clustering algorithms for community detection under a general bipartite stochastic block model (SBM). A modern spectral clustering algorithm consists of three steps: (1) regularization of an appropriate adjacency or…

Statistics Theory · Mathematics 2018-12-27 Zhixin Zhou , Arash A. Amini

Spectral clustering is a leading clustering method. Two of its major shortcomings are the disjoint optimization process and the limited representation capacity. To address these issues, we propose a deep spectral clustering model (named…

Computer Vision and Pattern Recognition · Computer Science 2025-08-07 Wengang Guo , Wei Ye , Chunchun Chen , Xin Sun , Christian Böhm , Claudia Plant , Susanto Rahardja

Objective: We aimed to fuse the outputs of different electrocardiogram-derived respiration (EDR) algorithms to create one EDR signal that is of higher quality. Methods: We viewed each EDR algorithm as a software sensor that recorded…

Signal Processing · Electrical Eng. & Systems 2024-04-16 Jacob McErlean , John Malik , Yu-Ting Lin , Ronen Talmon , Hau-Tieng Wu

Spectral clustering methods have gained widespread recognition for their effectiveness in clustering high-dimensional data. Among these techniques, constrained spectral clustering has emerged as a prominent approach, demonstrating enhanced…

Machine Learning · Computer Science 2024-04-05 Swarup Ranjan Behera , Vijaya V. Saradhi

Electromagnetic waves interacting with three--dimensional periodic structures occur in many applications of great scientific and engineering interest. These three dimensional interactions are extremely complicated and subtle, so it is…

Numerical Analysis · Mathematics 2024-07-08 David Nicholls , Liet Vo

In this article, we combine the periodic sinc basis set with a curvilinear coordinate system for electronic structure calculations. This extension allows for variable resolution across the computational domain, with higher resolution close…

Computational Physics · Physics 2024-07-09 Michael Lindsey , Sandeep Sharma

Inspired by the quantum computing algorithms for Linear Algebra problems [HHL,TaShma] we study how the simulation on a classical computer of this type of "Phase Estimation algorithms" performs when we apply it to solve the Eigen-Problem of…

Data Structures and Algorithms · Computer Science 2017-04-07 Michael Ben-Or , Lior Eldar

Spectral clustering is a popular method for community detection in network graphs: starting from a matrix representation of the graph, the nodes are clustered on a low dimensional projection obtained from a truncated spectral decomposition…

Machine Learning · Statistics 2022-08-10 Francesco Sanna Passino , Nicholas A. Heard , Patrick Rubin-Delanchy

Performance-score synchronization is an integral task in signal processing, which entails generating an accurate mapping between an audio recording of a performance and the corresponding musical score. Traditional synchronization methods…

Sound · Computer Science 2022-04-20 Ruchit Agrawal , Daniel Wolff , Simon Dixon

Various alignment problems arising in cryo-electron microscopy, community detection, time synchronization, computer vision, and other fields fall into a common framework of synchronization problems over compact groups such as Z/L, U(1), or…

Information Theory · Computer Science 2018-09-14 Amelia Perry , Alexander S. Wein , Afonso S. Bandeira , Ankur Moitra

Spectral clustering is a broad class of clustering procedures in which an intractable combinatorial optimization formulation of clustering is "relaxed" into a tractable eigenvector problem, and in which the relaxed solution is subsequently…

Methodology · Statistics 2011-02-21 Zhihua Zhang , Michael I. Jordan

Self-adjoint operators on infinite-dimensional spaces with continuous spectra are abundant but do not possess a basis of eigenfunctions. Rather, diagonalization is achieved through spectral measures. The SpecSolve package [SIAM Rev., 63(3)…

Numerical Analysis · Mathematics 2022-01-06 Matthew J. Colbrook , Andrew Horning