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We present a GPU-accelerated version of the real-space SPARC electronic structure code for performing hybrid functional calculations in generalized Kohn-Sham density functional theory. In particular, we develop a batch variant of the…

计算物理 · 物理学 2025-01-29 Xin Jing , Abhiraj Sharma , John E. Pask , Phanish Suryanarayana

Smoothed Particle Hydrodynamics (SPH) is essential for modeling complex large-deformation problems across various applications, requiring significant computational power. A major portion of SPH computation time is dedicated to the Nearest…

分布式、并行与集群计算 · 计算机科学 2024-01-23 Zirui Mao , Xinyi Li , Shenyang Hu , Ganesh Gopalakrishnan , Ang Li

Partitioning graphs into blocks of roughly equal size such that few edges run between blocks is a frequently needed operation in processing graphs. Recently, size, variety, and structural complexity of these networks has grown dramatically.…

数据结构与算法 · 计算机科学 2018-10-16 Yaroslav Akhremtsev , Peter Sanders , Christian Schulz

We study the complexity of geometric problems on spaces of low fractal dimension. It was recently shown by [Sidiropoulos & Sridhar, SoCG 2017] that several problems admit improved solutions when the input is a pointset in Euclidean space…

计算复杂性 · 计算机科学 2017-12-14 Anastasios Sidiropoulos , Kritika Singhal , Vijay Sridhar

We present a framework to interactively volume-render three-dimensional data cubes using distributed ray-casting and volume bricking over a cluster of workstations powered by one or more graphics processing units (GPUs) and a multi-core…

天体物理仪器与方法 · 物理学 2015-06-05 A. H. Hassan , C. J. Fluke , D. G. Barnes

We present GoldbachGPU, an open-source framework for large-scale computational verification of Goldbach's conjecture using commodity GPU hardware. Prior GPU-based approaches reported a hard memory ceiling near 10^11 due to monolithic…

数学软件 · 计算机科学 2026-03-04 Isaac Llorente-Saguer

On the GPU, hash table operation speed is determined in large part by cache line efficiency, and state-of-the-art hashing schemes thus divide tables into cache line-sized buckets. This raises the question whether performance can be further…

数据结构与算法 · 计算机科学 2024-06-14 Steef Hegeman , Daan Wöltgens , Anton Wijs , Alfons Laarman

In this paper, we demonstrate how GPU-accelerated BEM routines can be used in a simple black-box fashion to accelerate fast boundary element formulations based on Hierarchical Matrices (H-Matrices) with ACA (Adaptive Cross Approximation).…

分布式、并行与集群计算 · 计算机科学 2017-11-07 Kerstin Vater , Timo Betcke , Boris Dilba

Spatial Branch and Bound (B&B) algorithms are widely used for solving nonconvex problems to global optimality, yet they remain computationally expensive. Though some works have been carried out to speed up B&B via CPU parallelization, GPU…

Process mapping asks to assign vertices of a task graph to processing elements of a supercomputer such that the computational workload is balanced while the communication cost is minimized. Motivated by the recent success of GPU-based graph…

分布式、并行与集群计算 · 计算机科学 2026-03-16 Petr Samoldekin , Christian Schulz , Henning Woydt

Modeling data sharing in GPU programs is a challenging task because of the massive parallelism and complex data sharing patterns provided by GPU architectures. Better GPU caching efficiency can be achieved through careful task scheduling…

分布式、并行与集群计算 · 计算机科学 2016-10-04 Lingda Li , Ari B. Hayes , Stephen A. Hackler , Eddy Z. Zhang , Mario Szegedy , Shuaiwen Leon Song

Optimizing the performance of stencil algorithms has been the subject of intense research over the last two decades. Since many stencil schemes have low arithmetic intensity, most optimizations focus on increasing the temporal data access…

分布式、并行与集群计算 · 计算机科学 2015-10-19 Tareq Malas , Georg Hager , Hatem Ltaief , David Keyes

Graph Neural Networks (GNNs) have shown great superiority on non-Euclidean graph data, achieving ground-breaking performance on various graph-related tasks. As a practical solution to train GNN on large graphs with billions of nodes and…

机器学习 · 计算机科学 2024-09-24 Zeyu Zhu , Peisong Wang , Qinghao Hu , Gang Li , Xiaoyao Liang , Jian Cheng

We resolve in the affirmative conjectures of Repovs and A. Skopenkov (1998), and M. Skopenkov (2003) generalizing the classical Hanani-Tutte theorem to the setting of approximating maps of graphs on 2-dimensional surfaces by embeddings. Our…

计算几何 · 计算机科学 2022-08-31 Radoslav Fulek , Jan Kynčl

This paper presents a spectral element finite element scheme that efficiently solves elliptic problems on unstructured hexahedral meshes. The discrete equations are solved using a matrix-free preconditioned conjugate gradient algorithm. An…

计算工程、金融与科学 · 计算机科学 2016-09-21 J. -F. Remacle , R. Gandham , T. Warburton

Learning faithful graph representations as sets of vertex embeddings has become a fundamental intermediary step in a wide range of machine learning applications. The quality of the embeddings is usually determined by how well the geometry…

机器学习 · 计算机科学 2021-05-13 Federico López , Beatrice Pozzetti , Steve Trettel , Anna Wienhard

We introduce a new optimization problem regarding embeddings of a graph into a Euclidean space and discuss its relation to the two, mutually dual, optimizations problems introduced by Goering-Helmberg-Wappler. We prove that the Laplace…

组合数学 · 数学 2020-02-11 Takumi Gomyou , Toshimasa Kobayashi , Takefumi Kondo , Shin Nayatani

LDA is a statistical approach for topic modeling with a wide range of applications. However, there exist very few attempts to accelerate LDA on GPUs which come with exceptional computing and memory throughput capabilities. To this end, we…

分布式、并行与集群计算 · 计算机科学 2020-07-20 Shilong Wang , Hang Liu , Anil Gaihre , Hengyong Yu

The entropy-stable discontinuous Galerkin method for compressible Euler equations with buoyancy is implemented on graphics processing unit (GPU) hardware. We measure the performance of the solver on three-dimensional problems: the rising…

数值分析 · 数学 2026-05-19 Henry Waterhouse , Maciej Waruszewski , Lucas C. Wilcox , Francis X. Giraldo

Branch-and-Bound (B&B) algorithms are time intensive tree-based exploration methods for solving to optimality combinatorial optimization problems. In this paper, we investigate the use of GPU computing as a major complementary way to speed…

分布式、并行与集群计算 · 计算机科学 2012-08-21 Melab Nouredine , Imen Chakroun , Mezmaz Mohand , Daniel Tuyttens