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Simulations of odd flavors QCD can be performed in the framework of the hybrid Monte Carlo algorithm where the inverse of the fermion matrix is approximated by a polynomial. In this exploratory study we perform three flavors QCD…

High Energy Physics - Lattice · Physics 2009-10-31 T. Takaishi , Ph. de Forcrand

Quantum computer simulators are an indispensable tool for prototyping quantum algorithms and verifying the functioning of existing quantum computer hardware. The current largest quantum computers feature more than one thousand qubits,…

Quantum Physics · Physics 2025-01-28 Gabin Schieffer , Stefano Markidis , Ivy Peng

Multimodal large language model (MLLM) inference splits into two phases with opposing hardware demands: vision encoding is compute-bound, while language generation is memory-bandwidth-bound. We show that under standard transformer KV…

Machine Learning · Computer Science 2026-03-16 Donglin Yu

This paper presents a portable, GPU-accelerated implementation of a QR-based singular value computation algorithm in Julia. The singular value ecomposition (SVD) is a fundamental numerical tool in scientific computing and machine learning,…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-08-11 Evelyne Ringoot , Rabab Alomairy , Valentin Churavy , Alan Edelman

The using of GPU for Monte Carlo particle transport is lacking of fair comparisons. This work performs simulations on both CPU and GPU in the same package under the same manufacturing process of low power mobile devices. The experiment with…

Distributed, Parallel, and Cluster Computing · Computer Science 2022-08-15 Changyuan Liu

A parallelized hybrid Monte Carlo (HMC) methodology is devised to quantify the microstructural evolution of polycrystalline material under elastic loading. The approach combines a time explicit material point method (MPM) for the mechanical…

Materials Science · Physics 2010-09-03 Liangzhe Zhang , Timothy Bartel , Mark T. Lusk

We present the first GPU-based conjugate gradient (CG) solver for lattice QCD with domain-wall fermions (DWF). It is well-known that CG is the most time-consuming part in the Hybrid Monte Carlo simulation of unquenched lattice QCD, which…

High Energy Physics - Lattice · Physics 2011-01-04 Ting-Wai Chiu , Tung-Han Hsieh , Yao-Yuan Mao , Kenji Ogawa

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

Modern graphics hardware is designed for highly parallel numerical tasks and promises significant cost and performance benefits for many scientific applications. One such application is lattice quantum chromodyamics (lattice QCD), where the…

High Energy Physics - Lattice · Physics 2010-12-06 M. A. Clark , R. Babich , K. Barros , R. C. Brower , C. Rebbi

Simulations that use the clover action in quenched QCD calculations have a lower limit to the quark mass that can be reached, because of the fluctuations caused by exceptional configurations. From this low statistics study, we find that the…

High Energy Physics - Lattice · Physics 2008-11-26 UKQCD collaboration , Craig McNeile , Chris Michael

We introduce a GPU-accelerated simulation tool, named Modeling on Shallow Flows with Efficient Simulation for Two-Phase Debris Flows (MoSES_2PDF), of which the input and output data can be linked to the GIS system for engineering…

Computational Engineering, Finance, and Science · Computer Science 2021-04-15 Chi-Jyun Ko , Po-Chih Chen , Hock-Kiet Wong , Yih-Chin Tai

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…

Quantum Physics · Physics 2022-04-14 Danylo Lykov , Angela Chen , Huaxuan Chen , Kristopher Keipert , Zheng Zhang , Tom Gibbs , Yuri Alexeev

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…

Distributed, Parallel, and Cluster Computing · Computer Science 2022-01-03 Yuke Wang , Boyuan Feng , Yufei Ding

A new implementation of many-body calculations is of paramount importance in the field of computational physics. In this study, we leverage the capabilities of Field Programmable Gate Arrays (FPGAs) for conducting quantum many-body…

Strongly Correlated Electrons · Physics 2025-04-17 Songtai Lv , Yang Liang , Yuchen Meng , Xiaochen Yao , Jincheng Xu , Yang Liu , Qibin Zheng , Haiyuan Zou

We propose the powerful integration of the Hybrid Monte Carlo (hybridMC) algorithm and Well-Tempered Metadynamics. This new algorithm, hybridMC-MetaD, enhances the flexibility and applicability of metadynamics by allowing for the…

Materials Science · Physics 2025-08-25 Charlotte Shiqi Zhao , Sun-Ting Tsai , Sharon C. Glotzer

Maximizing the performance potential of the modern day GPU architecture requires judicious utilization of available parallel resources. Although dramatic reductions can often be obtained through straightforward mappings, further performance…

Distributed, Parallel, and Cluster Computing · Computer Science 2014-08-19 Loren Schwiebert , Eyad Hailat , Kamel Rushaidat , Jason Mick , Jeffrey Potoff

Graphics processing units (GPUs) are recently being used to an increasing degree for general computational purposes. This development is motivated by their theoretical peak performance, which significantly exceeds that of broadly available…

Computational Physics · Physics 2015-03-17 Martin Weigel

There are many ways to represent a molecule as input to a machine learning model and each is associated with loss and retention of certain kinds of information. In the interest of preserving three-dimensional spatial information, including…

Machine Learning · Computer Science 2019-12-11 Jocelyn Sunseri , David Ryan Koes

We present a highly scalable Monte Carlo (MC) three-dimensional photon transport simulation platform designed for heterogeneous computing systems. Through the development of a massively parallel MC algorithm using the Open Computing…

Distributed, Parallel, and Cluster Computing · Computer Science 2018-02-06 Leiming Yu , Fanny Nina-Paravecino , David Kaeli , Qianqian Fang

We report on our implementation of LatticeQCD applications using OpenCL. We focus on the general concept and on distributing different parts on hybrid systems, consisting of both CPUs (Central Processing Units) and GPUs (Graphic Processing…

High Energy Physics - Lattice · Physics 2011-12-23 Matthias Bach , Owe Philipsen , Christopher Pinke , Christian Schäfer , Lars Zeidlewicz