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Graphics processing units have been extensively used to accelerate classical molecular dynamics simulations. However, there is much less progress on the acceleration of force evaluations for many-body potentials compared to pairwise ones.…

Computational Physics · Physics 2017-06-27 Zheyong Fan , Wei Chen , Ville Vierimaa , Ari Harju

Adiabatic quantum computers, such as the quantum annealers commercialized by D-Wave Systems Inc., are routinely used to tackle combinatorial optimization problems. In this article, we show how to exploit them to accelerate equilibrium…

Disordered Systems and Neural Networks · Physics 2023-07-12 Giuseppe Scriva , Emanuele Costa , Benjamin McNaughton , Sebastiano Pilati

Determinant Quantum Monte Carlo (DQMC) provides numerically exact solutions for strongly correlated fermionic systems but faces significant computational challenges with increasing system size. While submatrix updates were originally…

Strongly Correlated Electrons · Physics 2025-02-19 Fanjie Sun , Xiao Yan Xu

We investigate the performance of the hybrid Monte Carlo algorithm in updating non-trivial global topological structures. We find that the hybrid Monte Carlo algorithm has serious problems decorrelating the global topological charge. This…

High Energy Physics - Lattice · Physics 2016-08-15 G. Boyd , B. Allés , M. D'Elia , A. Di Giacomo , E. Vicari

We accelerated an {\it ab-initio} QMC electronic structure calculation by using GPGPU. The bottleneck of the calculation for extended solid systems is replaced by CUDA-GPGPU subroutine kernels which build up spline basis set expansions of…

Computational Physics · Physics 2012-08-20 Yutaka Uejima , Ryo Maezono

We propose a CPU-GPU heterogeneous computing method for solving time-evolution partial differential equation problems many times with guaranteed accuracy, in short time-to-solution and low energy-to-solution. On a single-GH200 node, the…

Computational Engineering, Finance, and Science · Computer Science 2024-10-01 Tsuyoshi Ichimura , Kohei Fujita , Muneo Hori , Lalith Maddegedara , Jack Wells , Alan Gray , Ian Karlin , John Linford

Mixture-of-Experts (MoE) models can achieve promising results with outrageous large amount of parameters but constant computation cost, and thus it has become a trend in model scaling. Still it is a mystery how MoE layers bring quality…

Machine Learning · Computer Science 2021-08-10 An Yang , Junyang Lin , Rui Men , Chang Zhou , Le Jiang , Xianyan Jia , Ang Wang , Jie Zhang , Jiamang Wang , Yong Li , Di Zhang , Wei Lin , Lin Qu , Jingren Zhou , Hongxia Yang

We give some new performance results for the Hybrid Monte Carlo (HMC) simulation of dynamical clover-improved Wilson fermions using an improved pseudo-fermion action. The generalisation of even-odd preconditioning for the standard Wilson…

High Energy Physics - Lattice · Physics 2009-04-25 Martin Hasenbusch

GPU computing has become popular in computational finance and many financial institutions are moving their CPU based applications to the GPU platform. Since most Monte Carlo algorithms are embarrassingly parallel, they benefit greatly from…

Computational Finance · Quantitative Finance 2014-08-26 Linlin Xu , Giray Ökten

We have proposed a method to accelerate the computation of Kubo formula optimized to vector processors. The key concept is parallel evaluation of multiple integration points, enabled by batched linear algebra operations. Through benchmark…

Materials Science · Physics 2023-09-14 Yuta Yahagi , Toshihiro Kato

We introduce a new high-performance design for parallelism within the Quantum Monte Carlo code QMCPACK. We demonstrate that the new design is better able to exploit the hierarchical parallelism of heterogeneous architectures compared to the…

Computational Physics · Physics 2023-04-19 Ye Luo , Peter Doak , Paul Kent

Hybrid computational architectures based on the joint power of Central Processing Units and Graphic Processing Units (GPUs) are becoming popular and powerful hardware tools for a wide range of simulations in biology, chemistry, engineering,…

Instrumentation and Methods for Astrophysics · Physics 2015-06-15 Roberto Capuzzo-Dolcetta , Mario Spera

We propose a generic algorithmic building block to accelerate training of machine learning models on heterogeneous compute systems. Our scheme allows to efficiently employ compute accelerators such as GPUs and FPGAs for the training of…

Machine Learning · Computer Science 2017-11-08 Celestine Dünner , Thomas Parnell , Martin Jaggi

Recent developments in Machine Learning and Deep Learning depend heavily on cloud computing and specialized hardware, such as GPUs and TPUs. This forces those using those models to trust private data to cloud servers. Such scenario has…

Cryptography and Security · Computer Science 2021-04-06 Stefano M P C Souza , Daniel G Silva

In this proceedings we demonstrate some advantages of a top-bottom approach in the development of hardware-accelerated code. We start with an autogenerated hardware-agnostic Monte Carlo generator, which is parallelized in the event axis.…

Computational Physics · Physics 2022-11-28 Stefano Carrazza , Juan M. Cruz-Martinez , Gabriele Palazzo

Strongly correlated fermionic systems are of great interest in condensed matter physics and numerical methods are indispensable tools for their study. However, existing approaches such as exact diagonalization (ED) and stochastic quantum…

Strongly Correlated Electrons · Physics 2026-03-19 Finn L. Temmen , Martina Gisti , David J. Luitz , Thomas Luu , Johann Ostmeyer

Upcoming Large Scale Structure surveys aim to achieve an unprecedented level of precision in measuring galaxy clustering. However, accurately modeling these statistics may require theoretical templates that go beyond second-order…

Cosmology and Nongalactic Astrophysics · Physics 2023-11-21 M. Icaza-Lizaola , Yong-Seon Song , Minji Oh , Yi Zheng

Implementation of basic local Monte-Carlo algorithms on ATI Graphics Processing Units (GPU) is investigated. The Ising model and pure SU(2) gluodynamics simulations are realized with the Compute Abstraction Layer (CAL) of ATI Stream…

High Energy Physics - Lattice · Physics 2009-03-30 Vadim Demchik , Alexei Strelchenko

Large-scale deep learning benefits from an emerging class of AI accelerators. Some of these accelerators' designs are general enough for compute-intensive applications beyond AI and Cloud TPU is one such example. In this paper, we…

Distributed, Parallel, and Cluster Computing · Computer Science 2019-11-19 Kun Yang , Yi-Fan Chen , Georgios Roumpos , Chris Colby , John Anderson

Recent innovations focused around {\em parallel} processing, either through systems containing multiple processors or processors containing multiple cores, hold great promise for enhancing the performance of the trigger at the LHC and…

Computational Physics · Physics 2015-06-17 V. Halyo , P. LeGresley , P. Lujan , V. Karpusenko , A. Vladimirov
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