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We propose a high-performance GPU solver for inverse homogenization problems to design high-resolution 3D microstructures. Central to our solver is a favorable combination of data structures and algorithms, making full use of the parallel…

Optimization and Control · Mathematics 2023-05-26 Di Zhang , Xiaoya Zhai , Ligang Liu , Xiao-Ming Fu

The torrential influx of floating-point data from domains like IoT and HPC necessitates high-performance lossless compression to mitigate storage costs while preserving absolute data fidelity. Leveraging GPU parallelism for this task…

Databases · Computer Science 2025-11-12 Zheng Li , Weiyan Wang , Ruiyuan Li , Chao Chen , Xianlei Long , Linjiang Zheng , Quanqing Xu , Chuanhui Yang

An efficient solver for the three dimensional free-space Poisson equation is presented. The underlying numerical method is based on finite Fourier series approximation. While the error of all involved approximations can be fully controlled,…

Computational Physics · Physics 2017-10-18 Lukas Exl

The focus of my PhD thesis is on exploring parallel approaches to efficiently solve problems modeled by constraints and presenting a new proposal. Current solvers are very advanced; they are carefully designed to effectively manage the…

Artificial Intelligence · Computer Science 2019-09-23 Fabio Tardivo

Efficient hybrid DFT simulations of solid state materials would be extremely beneficial for computational chemistry and materials science, but is presently bottlenecked by difficulties in computing Hartree-Fock (HF) exchange with plane wave…

Chemical Physics · Physics 2024-10-30 Yuanheng Wang , Diptarka Hait , Pablo A. Unzueta , Juncheng Harry Zhang , Todd J. Martínez

With the advent of supercomputers, multi-processor environments and parallel-in-time (PinT) algorithms offer ways to solve initial value problems for ordinary and partial differential equations (ODEs and PDEs) over long time intervals, a…

Computation · Statistics 2025-07-21 Guglielmo Gattiglio , Lyudmila Grigoryeva , Massimiliano Tamborrino

Complex Graph Patterns (CGPs), which combine pattern matching with relational operations, are widely used in real-world applications. Existing systems rely on monolithic architectures for CGPs, which restrict their ability to integrate…

Databases · Computer Science 2024-12-13 Bingqing Lyu , Xiaoli Zhou , Longbin Lai , Yufan Yang , Yunkai Lou , Wenyuan Yu , Jingren Zhou

Customizing Convolution Neural Networks (CNN) for production use has been a challenging task for DL practitioners. This paper intends to expedite the model customization with a model hub that contains the optimized models tiered by their…

Computer Vision and Pattern Recognition · Computer Science 2022-05-03 Linnan Wang , Chenhan Yu , Satish Salian , Slawomir Kierat , Szymon Migacz , Alex Fit Florea

Cross-fitting is a key ingredient in many semiparametric estimation procedures, such as double/debiased machine learning (DML), enabling valid estimation of low-dimensional targets in the presence of high-dimensional nuisance functions by…

Computation · Statistics 2026-05-18 Etienne Peyrot , François Petit

We report on the GPU port of the Abinit high-performance simulation code for plane-wave DFT calculations. Large-scale electronic structure calculations require computing the electronic wave function by solving the Kohn-Sham equations…

Materials Science · Physics 2026-05-28 Ioanna-Maria Lygatsika , Marc Sarraute , Lucas Baguet , Pierre Kestener , Marc Torrent

Heterogeneous hardware like Gaudi processor has been developed to enhance computations, especially matrix operations for Transformer-based large language models (LLMs) for generative AI tasks. However, our analysis indicates that…

Hardware Architecture · Computer Science 2024-12-31 Chengming Zhang , Xinheng Ding , Baixi Sun , Xiaodong Yu , Weijian Zheng , Zhen Xie , Dingwen Tao

We introduce a fusion of GPU accelerated primal heuristics for Mixed Integer Programming. Leveraging GPU acceleration enables exploration of larger search regions and faster iterations. A GPU-accelerated PDLP serves as an approximate LP…

Optimization and Control · Mathematics 2025-10-31 Akif Çördük , Piotr Sielski , Alice Boucher , Kumar Aatish

The high computational cost and power consumption of current and anticipated AI systems present a major challenge for widespread deployment and further scaling. Current hardware approaches face fundamental efficiency limits. This paper…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-07-08 Kia Silverbrook

We present a multi-purpose genetic algorithm, designed and implemented with GPGPU / CUDA parallel computing technology. The model was derived from our CPU serial implementation, named GAME (Genetic Algorithm Model Experiment). It was…

Instrumentation and Methods for Astrophysics · Physics 2015-06-15 Stefano Cavuoti , Mauro Garofalo , Massimo Brescia , Maurizio Paolillo , Antonio Pescape' , Giuseppe Longo , Giorgio Ventre

In this paper we implemented the algorithm we developed in [1] called 3DPIFCM in a parallel environment by using CUDA on a GPU. In our previous work we introduced 3DPIFCM which performs segmentation of images in noisy conditions and uses…

Computer Vision and Pattern Recognition · Computer Science 2020-02-07 Arie Agranonik , Maya Herman , Mark Last

Nonuniform fast Fourier transforms dominate the computational cost in many applications including image reconstruction and signal processing. We thus present a general-purpose GPU-based CUDA library for type 1 (nonuniform to uniform) and…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-04-06 Yu-hsuan Shih , Garrett Wright , Joakim Andén , Johannes Blaschke , Alex H. Barnett

Machine-learned interatomic potentials have revolutionized molecular dynamics simulations by providing quantum-mechanical accuracy at empirical-potential speeds. The graphics processing unit molecular dynamics (GPUMD) package, featuring the…

Artificial Intelligence (AI) applications, such as Large Language Models, are primarily driven and executed by Graphics Processing Units (GPUs). These GPU programs (kernels) consume substantial amounts of energy, yet software developers…

Software Engineering · Computer Science 2026-01-21 Saurabhsingh Rajput , Alexander Brandt , Vadim Elisseev , Tushar Sharma

This paper highlights first steps towards enabling graphics processing unit (GPU) acceleration of the task-parallel smoothed particle hydrodynamics (SPH) solver SWIFT. Novel combinations of algorithms are presented, enabling SWIFT to…

Future computing systems, from handhelds to supercomputers, will undoubtedly be more parallel and heterogeneous than todays systems to provide more performance and energy efficiency. Thus, GPUs are increasingly being used to accelerate…

Distributed, Parallel, and Cluster Computing · Computer Science 2019-10-18 Saeed Taheri , Apan Qasem , Martin Burtscher
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