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We discuss the application of graphical processing units (GPUs) to accelerate real-space density functional theory (DFT) calculations. To make our implementation efficient, we have developed a scheme to expose the data parallelism available…

Computational Physics · Physics 2013-09-02 Xavier Andrade , Alán Aspuru-Guzik

As neural network model sizes have dramatically increased, so has the interest in various techniques to reduce their parameter counts and accelerate their execution. An active area of research in this field is sparsity - encouraging zero…

Evolutionary computing (EC) has proven to be effective in solving complex optimization and robotics problems. Unfortunately, typical Evolutionary Algorithms (EAs) are constrained by the computational capacity available to researchers. More…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-02-19 Rustam Eynaliyev , Houcen Liu

The growing complexity of computational workloads has amplified the need for efficient and specialized hardware accelerators. Field Programmable Gate Arrays (FPGAs) and Graphics Processing Units (GPUs) have emerged as prominent solutions,…

Hardware Architecture · Computer Science 2025-11-11 Arnab A Purkayastha , Jay Tharwani , Shobhit Aggarwal

Machine learning models have achieved remarkable success in various real-world applications such as data science, computer vision, and natural language processing. However, model training in machine learning requires large-scale data sets…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-05-02 Xidong Wu , Preston Brazzle , Stephen Cahoon

Principal component analysis (PCA) is a statistical technique commonly used in multivariate data analysis. However, PCA can be difficult to interpret and explain since the principal components (PCs) are linear combinations of the original…

Mathematical Software · Computer Science 2013-12-24 W. Liu , H. Zhang , D. Tao , Y. Wang , K. Lu

Graphics Processing Units (GPUs) have become an integral part of High-Performance Computing to achieve an Exascale performance. The main goal of application developers of GPU is to tune their code extensively to obtain optimal performance,…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-05-04 Gargi Alavani , Santonu Sarkar

Large-scale eigenvalue computations on sparse matrices are a key component of graph analytics techniques based on spectral methods. In such applications, an exhaustive computation of all eigenvalues and eigenvectors is impractical and…

Hardware Architecture · Computer Science 2021-03-19 Francesco Sgherzi , Alberto Parravicini , Marco Siracusa , Marco Domenico Santambrogio

Graph Pattern Mining (GPM) is an important, rapidly evolving, and computation demanding area. GPM computation relies on subgraph enumeration, which consists in extracting subgraphs that match a given property from an input graph. Graphics…

Distributed, Parallel, and Cluster Computing · Computer Science 2022-12-12 Samuel Ferraz , Vinicius Dias , Carlos H. C. Teixeira , George Teodoro , Wagner Meira

This research proposes a practical method for detecting featureless objects by using image alignment approach with a robust similarity measure in industrial applications. This similarity measure is robust against occlusion, illumination…

Computer Vision and Pattern Recognition · Computer Science 2021-12-13 Trung-Son Le , Chyi-Yeu Lin

Graphics processing units (GPU) had evolved from a specialized hardware capable to render high quality graphics in games to a commodity hardware for effective processing blocks of data in a parallel schema. This evolution is particularly…

Distributed, Parallel, and Cluster Computing · Computer Science 2012-03-26 Luis Cabellos

Sparse data structures are commonly used in neural networks to reduce the memory footprint. These data structures are compact but cause irregularities such as random memory accesses, which prevent efficient use of the memory hierarchy. GPUs…

Programming Languages · Computer Science 2025-06-19 Hossein Albakri , Kazem Cheshmi

Graph neural networks (GNNs) have seen extensive application in domains such as social networks, bioinformatics, and recommendation systems. However, the irregularity and sparsity of graph data challenge traditional computing methods, which…

Machine Learning · Computer Science 2025-02-25 Ka Wai Wu

Real-time trajectory optimization for nonlinear constrained autonomous systems is critical and typically performed by CPU-based sequential solvers. Specifically, reliance on global sparse linear algebra or the serial nature of dynamic…

Robotics · Computer Science 2026-03-13 Yilin Zou , Zhong Zhang , Maxime Robic , Fanghua Jiang

Graphics Processing Units (GPUs) are having a transformational effect on numerical lattice quantum chromodynamics (LQCD) calculations of importance in nuclear and particle physics. The QUDA library provides a package of mixed precision…

High Energy Physics - Lattice · Physics 2010-12-06 Ronald Babich , Michael A. Clark , Bálint Joó

Massively multicore processors, such as Graphics Processing Units (GPUs), provide, at a comparable price, a one order of magnitude higher peak performance than traditional CPUs. This drop in the cost of computation, as any…

Distributed, Parallel, and Cluster Computing · Computer Science 2016-11-18 Samer Al-Kiswany , Abdullah Gharaibeh , Matei Ripeanu

We investigate the problem of certifying optimality for sparse generalized linear models (GLMs), where sparsity is enforced through a cardinality constraint. While Branch-and-Bound (BnB) frameworks can certify optimality using perspective…

Optimization and Control · Mathematics 2026-03-03 Jiachang Liu , Andrea Lodi , Soroosh Shafiee

A finite-difference Micromagnetic simulation code written in MATLAB is presented with Graphics Processing Unit (GPU) acceleration. The high performance of Graphics Processing Unit (GPU) is demonstrated compared to a typical Central…

Computational Engineering, Finance, and Science · Computer Science 2015-01-30 Ru Zhu

We present the design and optimization of a linear solver on General Purpose GPUs for the efficient and high-throughput evaluation of the marginalized graph kernel between pairs of labeled graphs. The solver implements a preconditioned…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-05-20 Yu-Hang Tang , Oguz Selvitopi , Doru Popovici , Aydın Buluç

In recent decades, High Performance Computing (HPC) has undergone significant enhancements, particularly in the realm of hardware platforms, aimed at delivering increased processing power while keeping power consumption within reasonable…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-10-03 S. -Kazem Shekofteh , Christian Alles , Nils Kochendörfer , Holger Fröning
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