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Electronic structure calculations based on density-functional theory (DFT) represent a significant part of today's HPC workloads and pose high demands on high-performance computing resources. To perform these quantum-mechanical DFT…

Computational Physics · Physics 2021-04-28 Michael Lass , Robert Schade , Thomas D. Kühne , Christian Plessl

We present an efficient numerical method for computing Hamiltonian matrix elements between non-orthogonal Slater determinants, focusing on the most time-consuming component of the calculation that involves a sparse array. In the usual case…

Nuclear Theory · Physics 2012-10-22 Yutaka Utsuno , Noritaka Shimizu , Takaharu Otsuka , Takashi Abe

Eigensolvers involving complex moments can determine all the eigenvalues in a given region in the complex plane and the corresponding eigenvectors of a regular linear matrix pencil. The complex moment acts as a filter for extracting…

Numerical Analysis · Mathematics 2021-09-22 Keiichi Morikuni

We propose a new randomized optimization method for high-dimensional problems which can be seen as a generalization of coordinate descent to random subspaces. We show that an adaptive sampling strategy for the random subspace significantly…

Optimization and Control · Mathematics 2019-12-19 Jonathan Lacotte , Mert Pilanci , Marco Pavone

Homomorphic Encryption (HE) draws a significant attention as a privacy-preserving way for cloud computing because it allows computation on encrypted messages called ciphertexts. Among numerous HE schemes proposed, HE for Arithmetic of…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-07-15 Wonkyung Jung , Eojin Lee , Sangpyo Kim , Keewoo Lee , Namhoon Kim , Chohong Min , Jung Hee Cheon , Jung Ho Ahn

Tensor methods have gained increasingly attention from various applications, including machine learning, quantum chemistry, healthcare analytics, social network analysis, data mining, and signal processing, to name a few. Sparse tensors and…

Distributed, Parallel, and Cluster Computing · Computer Science 2019-02-12 Jiajia Li , Yuchen Ma , Xiaolong Wu , Ang Li , Kevin Barker

Efficient estimation of high-dimensional matrices-including covariance and precision matrices-is a cornerstone of modern multivariate statistics. Most existing studies have focused primarily on the theoretical properties of the estimators…

Machine Learning · Computer Science 2026-03-31 Wan Tian , Hui Yang , Zhouhui Lian , Lingyue Zhang , Yijie Peng

We consider the uniform approximation of the smallest eigenvalue of a large parameter-dependent Hermitian matrix by that of a smaller counterpart obtained through projections. The projection subspaces are constructed iteratively by means of…

Numerical Analysis · Mathematics 2026-01-16 Mattia Manucci , Emre Mengi , Nicola Guglielmi

A novel parallel algorithm for matrix multiplication is presented. The hyper-systolic algorithm makes use of a one-dimensional processor abstraction. The procedure can be implemented on all types of parallel systems. It can handle…

Mathematical Software · Computer Science 2007-05-23 Thomas Lippert , Nikolay Petkov , Paolo Palazzari , Klaus Schilling

In recent years, various subspace algorithms have been developed to handle large-scale optimization problems. Although existing subspace Newton methods require fewer iterations to converge in practice, the matrix operations and full…

Optimization and Control · Mathematics 2024-06-05 Taisei Miyaishi , Ryota Nozawa , Pierre-Louis Poirion , Akiko Takeda

We present a novel class of methods to compute functions of matrices or their action on vectors that are suitable for parallel programming. Solving appropriate simple linear systems of equations in parallel (or computing the inverse of…

Numerical Analysis · Mathematics 2022-10-10 Sergio Blanes

Hierarchical text classification (HTC) and extreme multi-label classification (XML) tasks face compounded challenges from complex label interdependencies, data sparsity, and extreme output dimensions. These challenges are exemplified in the…

Artificial Intelligence · Computer Science 2026-03-04 Lorenzo Molfetta , Alessio Cocchieri , Stefano Fantazzini , Giacomo Frisoni , Luca Ragazzi , Gianluca Moro

This paper proposes a non-interactive end-to-end solution for secure fusion and matching of biometric templates using fully homomorphic encryption (FHE). Given a pair of encrypted feature vectors, we perform the following ciphertext…

Computer Vision and Pattern Recognition · Computer Science 2022-08-16 Luke Sperling , Nalini Ratha , Arun Ross , Vishnu Naresh Boddeti

Matrix factorization is a simple and effective solution to the recommendation problem. It has been extensively employed in the industry and has attracted much attention from the academia. However, it is unclear what the low-dimensional…

Machine Learning · Computer Science 2018-08-29 Farhan Khawar , Nevin L. Zhang

High-dimensional partial-differential equations (PDEs) arise in a number of fields of science and engineering, where they are used to describe the evolution of joint probability functions. Their examples include the Boltzmann and…

Numerical Analysis · Mathematics 2018-10-17 A. M. P. Boelens , D. Venturi , D. M. Tartakovsky

Kernel matrices are ubiquitous in computational mathematics, often arising from applications in machine learning and scientific computing. In two or three spatial or feature dimensions, such problems can be approximated efficiently by a…

Numerical Analysis · Mathematics 2025-11-07 Abraham Khan , Chao Chen , Vishwas Rao , Arvind K. Saibaba

This paper proposes an efficient hypergraph partitioning framework based on a novel multi-objective non-convex constrained relaxation model. A modified accelerated proximal gradient algorithm is employed to generate diverse $k$-dimensional…

Machine Learning · Computer Science 2025-09-29 Yingying Li , Mingxuan Xie , Hailong You , Yongqiang Yao , Hongwei Liu

We present an implementation of the hierarchical tree algorithm on the individual timestep algorithm (the Hermite scheme) for collisional $N$-body simulations, running on GRAPE-9 system, a special-purpose hardware accelerator for…

Instrumentation and Methods for Astrophysics · Physics 2016-03-23 Toshiyuki Fukushige , Atsushi Kawai

Quantum computation offers a promising alternative to classical computing methods in many areas of numerical science, with algorithms that make use of the unique way in which quantum computers store and manipulate data often achieving…

Quantum Physics · Physics 2022-07-19 Christopher D. Phillips , Vladimir I. Okhmatovski

The inverse-free extreme learning machine (ELM) algorithm proposed in [4] was based on an inverse-free algorithm to compute the regularized pseudo-inverse, which was deduced from an inverse-free recursive algorithm to update the inverse of…

Machine Learning · Computer Science 2019-11-13 Hufei Zhu , Chenghao Wei
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