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Related papers: Porting and optimizing UniFrac for GPUs

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In this paper, we describe the architecture and performance of the GraCCA system, a Graphic-Card Cluster for Astrophysics simulations. It consists of 16 nodes, with each node equipped with 2 modern graphic cards, the NVIDIA GeForce 8800…

Astrophysics · Physics 2008-11-26 Hsi-Yu Schive , Chia-Hung Chien , Shing-Kwong Wong , Yu-Chih Tsai , Tzihong Chiueh

Evaluating high-dimensional integrals via deep hierarchical recurrences is a dominant cost in quantum chemistry. While CPUs manage these efficiently, GPUs suffer a critical mismatch: limited per-thread memory is quickly overwhelmed by an…

Computational Physics · Physics 2026-05-14 Yihong Zhang , Xinran Wei , Junshi Chen , Fusong Ju , Wei Hu , Jinlong Yang , Huanhuan Xia

In this paper, we present the details of our multi-node GPU-FFT library, as well its scaling on Selene HPC system. Our library employs slab decomposition for data division and MPI for communication among GPUs. We performed GPU-FFT on…

Performance optimization can be a daunting task especially as the hardware architecture becomes more and more complex. This paper takes a kernel from the Materials Science code BerkeleyGW, and demonstrates a few performance analysis and…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-09-24 Charlene Yang

The complex regulatory dynamics of a biological network can be succinctly captured using discrete logic models. Given even sparse time-course data from the system of interest, previous work has shown that global optimization schemes are…

Molecular Networks · Quantitative Biology 2026-04-22 Joyce Reimer , Pranta Saha , Chris Chen , Neeraj Dhar , Brook Byrns , Steven Rayan , Gordon Broderick

Not only with the large host memory for supporting large scale graph processing, GPU-accelerated heterogeneous architecture can also provide a great potential for high-performance computing. However, few existing heterogeneous systems can…

Distributed, Parallel, and Cluster Computing · Computer Science 2018-06-05 Xianliang Li

We characterize the GPU energy usage of two widely adopted exascale-ready applications representing two classes of particle and mesh solvers: (i) QMCPACK, a quantum Monte Carlo package, and (ii) AMReXCastro, an adaptive mesh astrophysical…

For computational fluid dynamics (CFD) applications with a large number of grid points/cells, parallel computing is a common efficient strategy to reduce the computational time. How to achieve the best performance in the modern…

Performance · Computer Science 2018-03-12 Yong-Xian Wang , Li-Lun Zhang , Wei Liu , Xing-Hua Cheng , Yu Zhuang , Anthony T. Chronopoulos

Deep learning has made great strides in medical imaging, enabled by hardware advances in GPUs. One major constraint for the development of new models has been the saturation of GPU memory resources during training. This is especially true…

Computer Vision and Pattern Recognition · Computer Science 2023-04-25 Lucas W. Remedios , Leon Y. Cai , Samuel W. Remedios , Karthik Ramadass , Aravind Krishnan , Ruining Deng , Can Cui , Shunxing Bao , Lori A. Coburn , Yuankai Huo , Bennett A. Landman

This technical report introduces Uni-Parser, an industrial-grade document parsing engine tailored for scientific literature and patents, delivering high throughput, robust accuracy, and cost efficiency. Unlike pipeline-based document…

Computer Vision and Pattern Recognition · Computer Science 2026-03-16 Xi Fang , Haoyi Tao , Shuwen Yang , Chaozheng Huang , Suyang Zhong , Haocheng Lu , Han Lyu , Junjie Wang , Xinyu Li , Linfeng Zhang , Guolin Ke

Computational biology has increasingly turned to agent-based modeling to explore complex biological systems. Biological diffusion (diffusion, decay, secretion, and uptake) is a key driver of biological tissues. GPU computing can vastly…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-10-27 Matt Stack , Paul Macklin , Robert Searles , Sunita Chandrasekaran

Unstructured-mesh based numerical algorithms such as finite volume and finite element algorithms form an important class of applications for many scientific and engineering domains. The key difficulty in achieving higher performance from…

Mathematical Software · Computer Science 2019-07-30 András Attila Sulyok , Gábor Dániel Balogh , István Zoltán Reguly , Gihan R. Mudalige

The main goal in many fields in the empirical sciences is to discover causal relationships among a set of variables from observational data. PC algorithm is one of the promising solutions to learn underlying causal structure by performing a…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-01-22 Behrooz Zarebavani , Foad Jafarinejad , Matin Hashemi , Saber Salehkaleybar

As recurrent neural networks become larger and deeper, training times for single networks are rising into weeks or even months. As such there is a significant incentive to improve the performance and scalability of these networks. While…

Machine Learning · Computer Science 2016-04-08 Jeremy Appleyard , Tomas Kocisky , Phil Blunsom

The industry and academia have proposed many distributed graph processing systems. However, the existing systems are not friendly enough for users like data analysts and algorithm engineers. On the one hand, the programing models and…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-08-05 Zhaokang Wang , Junhong Li , Yifan Qi , Guanghui Zhu , Chunfeng Yuan , Yihua Huang

High level programming languages and GPU accelerators are powerful enablers for a wide range of applications. Achieving scalable vertical (within a compute node), horizontal (across compute nodes), and temporal (over different generations…

Genetic Programming, a kind of evolutionary computation and machine learning algorithm, is shown to benefit significantly from the application of vectorized data and the TensorFlow numerical computation library on both CPU and GPU…

Distributed, Parallel, and Cluster Computing · Computer Science 2017-08-11 Kai Staats , Edward Pantridge , Marco Cavaglia , Iurii Milovanov , Arun Aniyan

Rapid growth in scientific data and a widening gap between computational speed and I/O bandwidth make it increasingly infeasible to store and share all data produced by scientific simulations. Instead, we need methods for reducing data…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-03-02 Jieyang Chen , Lipeng Wan , Xin Liang , Ben Whitney , Qing Liu , David Pugmire , Nicholas Thompson , Matthew Wolf , Todd Munson , Ian Foster , Scott Klasky

We investigate the energy efficiency of a library designed for parallel computations with sparse matrices. The library leverages high-performance, energy-efficient Graphics Processing Unit (GPU) accelerators to enable large-scale scientific…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-04-16 Massimo Bernaschi , Alessandro Celestini , Pasqua D'Ambra , Giorgio Richelli

This paper discusses the potential of graphics processing units (GPUs) in high-dimensional optimization problems. A single GPU card with hundreds of arithmetic cores can be inserted in a personal computer and dramatically accelerates many…

Computation · Statistics 2015-03-13 Hua Zhou , Kenneth Lange , Marc A. Suchard