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Quantum principal component analysis (QPCA) ignited a new development toward quantum machine learning algorithms. Initially showcasing as an active way for analyzing a quantum system using the quantum state itself, QPCA also found potential…

Quantum Physics · Physics 2025-01-15 Nhat A. Nghiem

Regular path queries (RPQs) are fundamental for path-constrained reachability analysis, and more complex variants such as conjunctive regular path queries (CRPQs) are increasingly used in graph analytics. Evaluating these queries is…

Databases · Computer Science 2026-02-25 Sungwoo Park , Seohyeon Kim , Min-Soo Kim

Kernel principal component analysis (KPCA) is a well-recognized nonlinear dimensionality reduction method that has been widely used in nonlinear fault detection tasks. As a kernel trick-based method, KPCA inherits two major problems. First,…

Machine Learning · Computer Science 2024-10-28 Zelin Ren , Xuebing Yang , Yuchen Jiang , Wensheng Zhang

We present a GPU-accelerated version of the real-space SPARC electronic structure code for performing Kohn-Sham density functional theory calculations within the local density and generalized gradient approximations. In particular, we…

Computational Physics · Physics 2023-06-14 Abhiraj Sharma , Alfredo Metere , Phanish Suryanarayana , Lucas Erlandson , Edmond Chow , John E. Pask

Principal component analysis (PCA) is a widely used unsupervised dimensionality reduction technique in machine learning, applied across various fields such as bioinformatics, computer vision and finance. However, when the response variables…

Applications · Statistics 2025-06-25 Theodosios Papazoglou , Guosheng Yin

Graphic Processing Units (GPUs) are getting increasingly important as target architectures in scientific High Performance Computing (HPC). NVIDIA established CUDA as a parallel computing architecture controlling and making use of the…

High Energy Physics - Lattice · Physics 2011-05-12 Frank Winter

Sparse Matricized Tensor Times Khatri-Rao Product (spMTTKRP) is the bottleneck kernel of sparse tensor decomposition. In this work, we propose a GPU-based algorithm design to address the key challenges in accelerating spMTTKRP computation,…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-05-15 Sasindu Wijeratne , Rajgopal Kannan , Viktor Prasanna

Robust principal component analysis (RPCA) is a critical tool in modern machine learning, which detects outliers in the task of low-rank matrix reconstruction. In this paper, we propose a scalable and learnable non-convex approach for…

Machine Learning · Computer Science 2023-02-28 HanQin Cai , Jialin Liu , Wotao Yin

Principal Component Analysis (PCA) is a popular method for dimension reduction and has attracted an unfailing interest for decades. More recently, kernel PCA (KPCA) has emerged as an extension of PCA but, despite its use in practice, a…

Machine Learning · Computer Science 2023-01-25 Maxime Haddouche , Benjamin Guedj , John Shawe-Taylor

We accelerated an ab-initio molecular QMC calculation by using GPGPU. Only the bottle-neck part of the calculation is replaced by CUDA subroutine and performed on GPU. The performance on a (single core CPU + GPU) is compared with that on a…

Computational Physics · Physics 2012-04-06 Yutaka Uejima , Tomoharu Terashima , Ryo Maezono

Sparse principal component analysis (PCA) is a popular dimensionality reduction technique for obtaining principal components which are linear combinations of a small subset of the original features. Existing approaches cannot supply…

Optimization and Control · Mathematics 2022-02-22 Dimitris Bertsimas , Ryan Cory-Wright , Jean Pauphilet

We study the problem of tensor robust principal component analysis (TRPCA), which aims to separate an underlying low-multilinear-rank tensor and a sparse outlier tensor from their sum. In this work, we propose a fast non-convex algorithm,…

Machine Learning · Computer Science 2021-10-13 HanQin Cai , Zehan Chao , Longxiu Huang , Deanna Needell

Sparse principal component analysis (SPCA) has emerged as a powerful technique for modern data analysis, providing improved interpretation of low-rank structures by identifying localized spatial structures in the data and disambiguating…

We introduce primed-PCA (pPCA), a two-step algorithm for speeding up the approximation of principal components. This algorithm first runs any approximate-PCA method to get an initial estimate of the principal components (priming), and then…

Machine Learning · Computer Science 2022-05-23 Bálint Máté , François Fleuret

We propose a new fast generalized functional principal components analysis (fast-GFPCA) algorithm for dimension reduction of non-Gaussian functional data. The method consists of: (1) binning the data within the functional domain; (2)…

Methodology · Statistics 2023-06-06 Andrew Leroux , Ciprian Crainiceanu , Julia Wrobel

The problem of recovering a low-rank matrix from a set of observations corrupted with gross sparse error is known as the robust principal component analysis (RPCA) and has many applications in computer vision, image processing and web data…

Optimization and Control · Mathematics 2013-09-27 Necdet Serhat Aybat , Donald Goldfarb , Shiqian Ma

We present a GPU-accelerated backend for QOCO, a C-based solver for quadratic objective second-order cone programs (SOCPs) based on a primal-dual interior point method. Our backend uses NVIDIA's cuDSS library to perform a direct sparse LDL…

Optimization and Control · Mathematics 2026-04-01 Govind M. Chari , Behçet Açıkmeşe

Recommendation systems, social network analysis, medical imaging, and data mining often involve processing sparse high-dimensional data. Such high-dimensional data are naturally represented as tensors, and they cannot be efficiently…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-10-22 Weiyun Jiang , Kaiqi Zhang , Colin Yu Lin , Feng Xing , Zheng Zhang

The topic of this tutorial is Least Squares Sparse Principal Components Analysis (LS SPCA) which is a simple method for computing approximated Principal Components which are combinations of only a few of the observed variables. Analogously…

Methodology · Statistics 2021-05-31 Giovanni Maria Merola

The Random Phase Approximation (RPA) for correlation energy in the grid-based projector augmented wave (gpaw) code is accelerated by porting to the Graphics Processing Unit (GPU) architecture. The acceleration is achieved by grouping…

Computational Physics · Physics 2013-07-31 Jun Yan , Lin Li , Christopher O'Grady