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Solving the Kohn-Sham eigenvalue problem constitutes the most computationally expensive part in self-consistent density functional theory (DFT) calculations. In a previous paper, we have proposed a nonlinear Chebyshev-filtered subspace…

Materials Science · Physics 2009-11-13 Yunkai Zhou , Yousef Saad , Murilo L. Tiago , James R. Chelikowsky

It is needed to solve generalized eigenvalue problems (GEP) in many applications, such as the numerical simulation of vibration analysis, quantum mechanics, electronic structure, etc. The subspace iteration is a kind of widely used…

Numerical Analysis · Mathematics 2023-01-02 Biyi Wang , Hengbin An , Hehu Xie , Zeyao Mo

We study the problem of building space-efficient, in-memory indexes for massive key-value datasets with highly skewed value distributions. This challenge arises in many data-intensive domains and is particularly acute in computational…

Data Structures and Algorithms · Computer Science 2026-03-27 David Torres Ramos , Vihan Lakshman , Chen Luo , Todd Treangen , Benjamin Coleman

In many scientific applications the solution of non-linear differential equations are obtained through the set-up and solution of a number of successive eigenproblems. These eigenproblems can be regarded as a sequence whenever the solution…

Mathematical Software · Computer Science 2014-07-08 Mario Berljafa , Daniel Wortmann , Edoardo Di Napoli

Eigenvector spatial filtering (ESF) is a spatial modeling approach, which has been applied in urban and regional studies, ecological studies, and so on. However, it is computationally demanding, and may not be suitable for large data…

Methodology · Statistics 2018-04-23 Daisuke Murakami , Daniel A. Griffith

Interior eigenvalue problems for large-scale sparse Hermitian matrices are fundamental in computational science. We propose an adaptive polynomial filtering strategy based on Chebyshev expansion of a step function, integrated into a…

Numerical Analysis · Mathematics 2026-04-02 Xiaofei Xu , Yuhui Ni , Shengguo Li , Juan Zhang

Agents that operate autonomously benefit from lifelong learning capabilities. However, compatible training algorithms must comply with the decentralized nature of these systems, which imposes constraints on both the parameter counts and the…

Machine Learning · Computer Science 2025-03-28 Xing Chen , Dongshu Liu , Jeremie Laydevant , Julie Grollier

We study Chebyshev filter diagonalization as a tool for the computation of many interior eigenvalues of very large sparse symmetric matrices. In this technique the subspace projection onto the target space of wanted eigenvectors is…

The central importance of large scale eigenvalue problems in scientific computation necessitates the development of massively parallel algorithms for their solution. Recent advances in dense numerical linear algebra have enabled the routine…

Numerical Analysis · Mathematics 2020-05-08 David B. Williams-Young , Paul G. Beckman , Chao Yang

Learning neural operators for solving partial differential equations (PDEs) has attracted great attention due to its high inference efficiency. However, training such operators requires generating a substantial amount of labeled data, i.e.,…

Machine Learning · Computer Science 2024-03-20 Hong Wang , Zhongkai Hao , Jie Wang , Zijie Geng , Zhen Wang , Bin Li , Feng Wu

In this paper, by introducing a class of relaxed filtered Krylov subspaces, we propose the relaxed filtered Krylov subspace method for computing the eigenvalues with the largest real parts and the corresponding eigenvectors of non-symmetric…

Numerical Analysis · Mathematics 2020-11-17 Cun-Qiang Miao , Wen-Ting Wu

Supervised matrix factorization (SMF) is a classical machine learning method that simultaneously seeks feature extraction and classification tasks, which are not necessarily a priori aligned objectives. Our goal is to use SMF to learn…

Machine Learning · Statistics 2023-11-21 Joowon Lee , Hanbaek Lyu , Weixin Yao

Chebyshev Filtered Subspace Iteration (ChFSI) is widely used for computing a small subset of extremal eigenpairs from large matrices, particularly when the eigenpairs must be computed repeatedly as the system matrix evolves within an outer…

Computational Physics · Physics 2026-03-18 Nikhil Kodali , Kartick Ramakrishnan , Phani Motamarri

This paper proposed a Soft Filter Pruning (SFP) method to accelerate the inference procedure of deep Convolutional Neural Networks (CNNs). Specifically, the proposed SFP enables the pruned filters to be updated when training the model after…

Computer Vision and Pattern Recognition · Computer Science 2018-08-22 Yang He , Guoliang Kang , Xuanyi Dong , Yanwei Fu , Yi Yang

In contrastive self-supervised learning, the common way to learn discriminative representation is to pull different augmented "views" of the same image closer while pushing all other images further apart, which has been proven to be…

Computer Vision and Pattern Recognition · Computer Science 2022-12-14 Kaiyou Song , Shan Zhang , Zihao An , Zimeng Luo , Tong Wang , Jin Xie

As a fundamental task in Information Retrieval and Computational Linguistics, sentence representation has profound implications for a wide range of practical applications such as text clustering, content analysis, question-answering…

Computation and Language · Computer Science 2025-05-02 Bowen Zhang , Zixin Song , Chunping Li

Artificial neural network has achieved unprecedented success in a wide variety of domains such as classifying, predicting and recognizing objects. This success depends on the availability of big data since the training process requires…

Machine Learning · Computer Science 2019-10-08 Rulin Shao , Hui Liu , Dianbo Liu

In \emph{Wang et al., A Shifted Laplace Rational Filter for Large-Scale Eigenvalue Problems}, the SLRF method was proposed to compute all eigenvalues of a symmetric definite generalized eigenvalue problem lying in an interval on the real…

Numerical Analysis · Mathematics 2025-10-21 Biyi Wang , Karl Meerbergen , Raf Vandebril , Hengbin An , Zeyao Mo

This study introduces a novel hierarchical divisive clustering approach with stochastic splitting functions (SSFs) to enhance classification performance in multi-class datasets through hierarchical classification (HC). The method has the…

Machine Learning · Computer Science 2023-09-22 Celal Alagoz

This paper develops a new class of algorithms for general linear systems and eigenvalue problems. These algorithms apply fast randomized sketching to accelerate subspace projection methods, such as GMRES and Rayleigh--Ritz. This approach…

Numerical Analysis · Mathematics 2022-02-17 Yuji Nakatsukasa , Joel A. Tropp
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