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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…

材料科学 · 物理学 2011-03-08 Christian R. Trott , Lars Winterfeld , Paul S. Crozier

Most deep neural networks deployed today are trained using GPUs via high-level frameworks such as TensorFlow and PyTorch. This paper describes changes we made to the GPGPU-Sim simulator to enable it to run PyTorch by running PTX kernels…

While interior point methods have been the centerpiece of nonlinear programming tools used in science and engineering, their reliance on linear solvers that can tackle sparse symmetric indefinite and highly ill-conditioned problems made it…

Simulation is essential for developing quantum hardware and algorithms. However, simulating quantum circuits on classical hardware is challenging due to the exponential scaling of quantum state space. While factorized tensors can greatly…

量子物理 · 物理学 2021-12-21 Taylor L. Patti , Jean Kossaifi , Susanne F. Yelin , Anima Anandkumar

Large language models have led to state-of-the-art accuracies across a range of tasks. However, training these models efficiently is challenging for two reasons: a) GPU memory capacity is limited, making it impossible to fit large models on…

The most popular heterogeneous many-core platform, the CPU+GPU combination, has received relatively little attention in operating systems research. This platform is already widely deployed: GPUs can be found, in some form, in most desktop…

操作系统 · 计算机科学 2013-05-21 Weibin Sun , Robert Ricci

General matrix multiplication (GEMM) operations are the fundamental building blocks of computational domains including artificial intelligence (AI). As GPU architectures evolve and high-performance AI becomes increasingly important,…

分布式、并行与集群计算 · 计算机科学 2025-11-26 Harisankar Sadasivan , Muhammed Emin Ozturk , Muhammad Osama , Chris Millette , Astha Rai , Maksim Podkorytov , John Afaganis , Carlus Huang , Jing Zhang , Jun Liu

SISSO (sure-independence screening and sparsifying operator) is an artificial intelligence (AI) method based on symbolic regression and compressed sensing widely used in materials science research. SISSO++ is its C++ implementation that…

We have developed several autotuning benchmarks in CUDA that take into account performance-relevant source-code parameters and reach near peak-performance on various GPU architectures. We have used them during the development and evaluation…

分布式、并行与集群计算 · 计算机科学 2021-02-11 Jiří Filipovič , Jana Hozzová , Amin Nezarat , Jaroslav Oľha , Filip Petrovič

Motivated by the increasing availability of low- and mixed-precision arithmetic on modern hardware, we develop mixed-precision variants of Lloyd's algorithm for k-means clustering. The main ingredient is a family of mixed-precision kernels…

数值分析 · 数学 2026-05-26 Erin Carson , Xinye Chen , Xiaobo Liu

The growth of data to be processed in the Oil & Gas industry matches the requirements imposed by evolving algorithms based on stencil computations, such as Full Waveform Inversion and Reverse Time Migration. Graphical processing units…

分布式、并行与集群计算 · 计算机科学 2020-08-05 Vitor Hugo Mickus Rodrigues , Lucas Cavalcante , Maelso Bruno Pereira , Fabio Luporini , István Reguly , Gerard Gorman , Samuel Xavier de Souza

We employ pressure point analysis and roofline modeling to identify performance bottlenecks and determine an upper bound on the performance of the Canonical Polyadic Alternating Poisson Regression Multiplicative Update (CP-APR MU) algorithm…

分布式、并行与集群计算 · 计算机科学 2023-07-10 S. Isaac Geronimo Anderson , Keita Teranishi , Daniel M. Dunlavy , Jee Choi

Support vector machines and kernel methods are increasingly popular in genomics and computational biology, due to their good performance in real-world applications and strong modularity that makes them suitable to a wide range of problems,…

定量方法 · 定量生物学 2007-05-23 Jean-Philippe Vert

Token generation speed is critical to power the next wave of AI inference applications. GPUs significantly underperform during token generation due to synchronization overheads at kernel boundaries, utilizing only 21% of their peak memory…

Numerical tensor calculus comprise basic tensor operations such as the entrywise addition and contraction of higher-order tensors. We present, TLib, flexible tensor framework with generic tensor functions and tensor classes that assists…

数学软件 · 计算机科学 2017-11-30 Cem Bassoy

Over the most recent years, quantized graph neural network (QGNN) attracts lots of research and industry attention due to its high robustness and low computation and memory overhead. Unfortunately, the performance gains of QGNN have never…

分布式、并行与集群计算 · 计算机科学 2022-01-03 Yuke Wang , Boyuan Feng , Yufei Ding

We present HONEI, an open-source collection of libraries offering a hardware oriented approach to numerical calculations. HONEI abstracts the hardware, and applications written on top of HONEI can be executed on a wide range of computer…

数学软件 · 计算机科学 2010-06-28 Danny van Dyk , Markus Geveler , Sven Mallach , Dirk Ribbrock , Dominik Goeddeke , Carsten Gutwenger

We introduce Diffuse, a system that dynamically performs task and kernel fusion in distributed, task-based runtime systems. The key component of Diffuse is an intermediate representation of distributed computation that enables the necessary…

分布式、并行与集群计算 · 计算机科学 2024-12-17 Rohan Yadav , Shiv Sundram , Wonchan Lee , Michael Garland , Michael Bauer , Alex Aiken , Fredrik Kjolstad

We present a library of efficient implementations of deep learning primitives. Deep learning workloads are computationally intensive, and optimizing their kernels is difficult and time-consuming. As parallel architectures evolve, kernels…

神经与进化计算 · 计算机科学 2014-12-19 Sharan Chetlur , Cliff Woolley , Philippe Vandermersch , Jonathan Cohen , John Tran , Bryan Catanzaro , Evan Shelhamer

This work studies the porting and optimization of the tensor network simulator QTensor on GPUs, with the ultimate goal of simulating quantum circuits efficiently at scale on large GPU supercomputers. We implement NumPy, PyTorch, and CuPy…

量子物理 · 物理学 2022-04-14 Danylo Lykov , Angela Chen , Huaxuan Chen , Kristopher Keipert , Zheng Zhang , Tom Gibbs , Yuri Alexeev