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We provide a preliminary study on utilizing GPU (Graphics Processing Unit) to accelerate computation for three simulation optimization tasks with either first-order or second-order algorithms. Compared to the implementation using only CPU…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-04-19 Jinghai He , Haoyu Liu , Yuhang Wu , Zeyu Zheng , Tingyu Zhu

High Performance Computing (HPC) platforms allow scientists to model computationally intensive algorithms. HPC clusters increasingly use General-Purpose Graphics Processing Units (GPGPUs) as accelerators; FPGAs provide an attractive…

Hardware Architecture · Computer Science 2015-04-20 Syed Waqar Nabi , Saji N. Hameed , Wim Vanderbauwhede

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

Due to their highly parallel multi-cores architecture, GPUs are being increasingly used in a wide range of computationally intensive applications. Compared to CPUs, GPUs can achieve higher performances at accelerating the programs'…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-10-05 Frédéric Magoulès , Abal-Kassim Cheik Ahamed , Alban Desmaison , Jean-Christophe Léchenet , François Mayer , Haifa Ben Salem , Thomas Zhu

Recent researches on neural network have shown significant advantage in machine learning over traditional algorithms based on handcrafted features and models. Neural network is now widely adopted in regions like image, speech and video…

Hardware Architecture · Computer Science 2018-12-07 Kaiyuan Guo , Shulin Zeng , Jincheng Yu , Yu Wang , Huazhong Yang

Program synthesis is an umbrella term for generating programs and logical formulae from specifications. With the remarkable performance improvements that GPUs enable for deep learning, a natural question arose: can we also implement a…

Programming Languages · Computer Science 2025-04-29 Martin Berger , Nathanaël Fijalkow , Mojtaba Valizadeh

General Purpose Graphic Processing Unit(GPGPU) is used widely for achieving high performance or high throughput in parallel programming. This capability of GPGPUs is very famous in the new era and mostly used for scientific computing which…

Distributed, Parallel, and Cluster Computing · Computer Science 2018-10-10 Vajira Thambawita , Roshan G. Ragel , Dhammike Elkaduwe

Current soft processor architectures for FPGAs do not utilize the potential of the massive parallelism available. FPGAs now support many thousands of embedded floating point operators, and have similar computational densities to GPGPUs.…

Hardware Architecture · Computer Science 2024-01-10 Martin Langhammer , George A. Constantinides

Molecular dynamics (MD) simulation is one of the past decade's most important tools for enabling biology scientists and researchers to explore human health and diseases. However, due to the computation complexity of the MD algorithm, it…

Computational Physics · Physics 2016-11-15 Jason Cong , Zhenman Fang , Hassan Kianinejad , Peng Wei

Recent advances in reprogrammable hardware (e.g., FPGAs) and memory technology (e.g., DDR4, HBM) promise to solve performance problems inherent to graph processing like irregular memory access patterns on traditional hardware (e.g., CPU).…

Hardware Architecture · Computer Science 2021-04-19 Jonas Dann , Daniel Ritter , Holger Fröning

Recent advancements in hardware accelerators such as Tensor Processing Units (TPUs) speed up computation time relative to Central Processing Units (CPUs) not only for machine learning but, as demonstrated here, also for scientific modeling…

Distributed, Parallel, and Cluster Computing · Computer Science 2022-04-22 Damien Pierce , R. Lily Hu , Yusef Shafi , Anudhyan Boral , Vladimir Anisimov , Sella Nevo , Yi-fan Chen

Developing parallel algorithms efficiently requires careful management of concurrency across diverse hardware architectures. C++ executors provide a standardized interface that simplifies the development process, allowing developers to…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-10-22 Karame Mohammadiporshokooh , Steven R. Brandt , Hartmut Kaiser

GPUs have been widely used to accelerate computations exhibiting simple patterns of parallelism - such as flat or two-level parallelism - and a degree of parallelism that can be statically determined based on the size of the input dataset.…

Distributed, Parallel, and Cluster Computing · Computer Science 2016-11-18 Hancheng Wu , Da Li , Michela Becchi

Efficient parallelization of algorithms on general-purpose GPUs is essential in many areas today. However, it is a non-trivial task for software engineers to utilize GPUs to improve the performance of high-level programs in general.…

Programming Languages · Computer Science 2024-07-09 Lars Hummelgren , John Wikman , Oscar Eriksson , Philipp Haller , David Broman

We present a GPU implementation of LAMMPS, a widely-used parallel molecular dynamics (MD) software package, and show 5x to 13x single node speedups versus the CPU-only version of LAMMPS. This new CUDA package for LAMMPS also enables…

Materials Science · Physics 2011-03-08 Christian R. Trott , Lars Winterfeld , Paul S. Crozier

Due to recent advances in digital technologies, and availability of credible data, an area of artificial intelligence, deep learning, has emerged, and has demonstrated its ability and effectiveness in solving complex learning problems not…

Neural and Evolutionary Computing · Computer Science 2019-01-03 Ahmad Shawahna , Sadiq M. Sait , Aiman El-Maleh

With their widespread availability, FPGA-based accelerators cards have become an alternative to GPUs and CPUs to accelerate computing in applications with certain requirements (like energy efficiency) or properties (like fixed-point…

Hardware Architecture · Computer Science 2022-10-20 Tom Vander Aa , Tom Haber , Thomas J. Ashby , Roel Wuyts , Wilfried Verachtert

Edge training of Deep Neural Networks (DNNs) is a desirable goal for continuous learning; however, it is hindered by the enormous computational power required by training. Hardware approximate multipliers have shown their effectiveness for…

Hardware Architecture · Computer Science 2022-09-26 Jing Gong , Hassaan Saadat , Hasindu Gamaarachchi , Haris Javaid , Xiaobo Sharon Hu , Sri Parameswaran

While FPGAs have been used extensively as hardware accelerators in industrial computation, no theoretical model of computation has been devised for the study of FPGA-based accelerators. In this paper, we present a theoretical model of…

Data Structures and Algorithms · Computer Science 2018-11-19 Martin Hora , Václav Končický , Jakub Tětek

In recent years, high speed and high resolution analog-to-digital converter (ADC) is widely employed in many physical experiments, especially in high precision time and charge measurement. The rapid increasing amount of digitized data…

Signal Processing · Electrical Eng. & Systems 2018-06-14 Guangyuan Yuan , Zhe cao , Shuwen Wang , Shubin Liu , Qi An