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Recent advances in both theory and methods have created opportunities to simulate biomolecular processes more efficiently using adaptive ensemble simulations. Ensemble-based simulations are used widely to compute a number of individual…

计算工程、金融与科学 · 计算机科学 2020-09-14 Vivek Balasubramanian , Travis Jensen , Matteo Turilli , Peter Kasson , Michael Shirts , Shantenu Jha

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

Advancements in large language models (LLMs) are showing promising impact in software development and programming assistance. However, these models struggle when operating on low-level backend code. This challenge is exacerbated in the…

软件工程 · 计算机科学 2025-12-23 Muhammad Usman Tariq , Abhinav Jangda , Angelica Moreira , Madan Musuvathi , Tyler Sorensen

After years of using Graphics Processing Units (GPUs) to accelerate scientific applications in fields as varied as tomography, computer vision, climate modeling, digital forensics, geospatial databases, particle physics, radio astronomy,…

软件工程 · 计算机科学 2020-05-28 Ben van Werkhoven , Willem Jan Palenstijn , Alessio Sclocco

Sparse General Matrix Multiply (SpGEMM) is key for various High-Performance Computing (HPC) applications such as genomics and graph analytics. Using the semiring abstraction, many algorithms can be formulated as SpGEMM, allowing…

分布式、并行与集群计算 · 计算机科学 2025-12-23 Thomas McFarland , Julian Bellavita , Giulia Guidi

Modern Systems on Chip (SoC), almost as a rule, require accelerators for achieving energy efficiency and high performance for specific tasks that are not necessarily well suited for execution in standard processing units. Considering the…

Particle accelerator modeling is an important field of research and development, essential to investigating, designing and operating some of the most complex scientific devices ever built. Kinetic simulations of relativistic, charged…

Graphics Processing Units (GPUs) have revolutionized the computing landscape over the past decade. However, the growing energy demands of data centres and computing facilities equipped with GPUs come with significant capital and…

分布式、并行与集群计算 · 计算机科学 2022-11-15 Richard Schoonhoven , Bram Veenboer , Ben van Werkhoven , Kees Joost Batenburg

Stochastic simulation techniques employed for the analysis of portfolios of insurance/reinsurance risk, often referred to as `Aggregate Risk Analysis', can benefit from exploiting state-of-the-art high-performance computing platforms. In…

分布式、并行与集群计算 · 计算机科学 2013-08-19 A. K. Bahl , O. Baltzer , A. Rau-Chaplin , B. Varghese , A. Whiteway

Optimizing communication performance is imperative for large-scale computing because communication overheads limit the strong scalability of parallel applications. Today's network cards contain rather powerful processors optimized for data…

分布式、并行与集群计算 · 计算机科学 2017-10-20 Torsten Hoefler , Salvatore Di Girolamo , Konstantin Taranov , Ryan E. Grant , Ron Brightwell

Ensemble learning is a powerful paradigm that has been usedin the top state-of-the-art machine learning methods like Random Forestsand XGBoost. Inspired by the success of such methods, we have devel-oped a new Genetic Programming method…

神经与进化计算 · 计算机科学 2020-01-22 Nuno M. Rodrigues , João E. Batista , Sara Silva

The analysis of the evolutionary dynamics of a population with many polymorphic loci is challenging since a large number of possible genotypes needs to be tracked. In the absence of analytical solutions, forward computer simulations are an…

种群与进化 · 定量生物学 2012-07-31 Fabio Zanini , Richard A. Neher

While parallel architectures based on clusters of Processing Elements (PEs) sharing L1 memory are widespread, there is no consensus on how lean their PE should be. Architecting PEs as vector processors holds the promise to greatly reduce…

硬件体系结构 · 计算机科学 2022-07-21 Matheus Cavalcante , Domenic Wüthrich , Matteo Perotti , Samuel Riedel , Luca Benini

Genetic algorithm (GA) is a stochastic metaheuristic process consisting on the evolution of a population of candidate solutions for a given optimization problem. By extension, multipopulation genetic algorithm (MPGA) aims for efficiency by…

神经与进化计算 · 计算机科学 2018-06-07 Bruno Messias , Bruno W. D. Morais

We describe a computational framework for hierarchical Bayesian inference with simple (typically single-plate) parametric graphical models that uses graphics processing units (GPUs) to accelerate computations, enabling deployment on very…

天体物理仪器与方法 · 物理学 2021-05-18 János M. Szalai-Gindl , Thomas J. Loredo , Brandon C. Kelly , István Csabai , Tamás Budavári , László Dobos

The field of plasma physics heavily relies on simulations to model various phenomena, such as instabilities, turbulence, and nonlinear behaviors that would otherwise be difficult to study from a purely theoretical approach. Simulations are…

等离子体物理 · 物理学 2026-02-05 Giorgio Daneri

General-purpose Sparse Matrix-Matrix Multiplication (SpMM) is a fundamental kernel in scientific computing and deep learning. The emergence of new matrix computation units such as Tensor Cores (TCs) brings more opportunities for SpMM…

分布式、并行与集群计算 · 计算机科学 2025-01-17 Haisha Zhao , San Li , Jiaheng Wang , Chunbao Zhou , Jue Wang , Zhikuang Xin , Shunde Li , Zhiqiang Liang , Zhijie Pan , Fang Liu , Yan Zeng , Yangang Wang , Xuebin Chi

Sparse convolution plays a pivotal role in emerging workloads, including point cloud processing in AR/VR, autonomous driving, and graph understanding in recommendation systems. Since the computation pattern is sparse and irregular,…

分布式、并行与集群计算 · 计算机科学 2023-11-23 Haotian Tang , Shang Yang , Zhijian Liu , Ke Hong , Zhongming Yu , Xiuyu Li , Guohao Dai , Yu Wang , Song Han

Heterogeneous computing integrates diverse processing elements, such as CPUs, GPUs, and FPGAs, within a single system, aiming to leverage the strengths of each architecture to optimize performance and energy consumption. In this context,…

性能 · 计算机科学 2025-11-19 Maksymilian Graczyk , Vincent Desbiolles , Stefan Roiser , Andrea Guerrieri

As the size of large language models continue to scale, so does the computational resources required to run it. Spiking Neural Networks (SNNs) have emerged as an energy-efficient approach to deep learning that leverage sparse and…

计算与语言 · 计算机科学 2024-07-12 Rui-Jie Zhu , Qihang Zhao , Guoqi Li , Jason K. Eshraghian