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We present an acceleration method for sequences of large-scale linear systems, such as the ones arising from the numerical solution of time-dependent partial differential equations coupled with algebraic constraints. We discuss different…

Numerical Analysis · Mathematics 2024-03-29 Margherita Guido , Daniel Kressner , Paolo Ricci

Particle-in-cell merging algorithms aim to resample dynamically the six-dimensional phase space occupied by particles without distorting substantially the physical description of the system. Whereas various approaches have been proposed in…

Plasma Physics · Physics 2015-11-16 Marija Vranic , Thomas Grismayer , Joana L. Martins , Ricardo A. Fonseca , Luis O. Silva

Plasma wakefield acceleration holds remarkable promise for future advanced accelerators. The design and optimization of plasma-based accelerators typically require particle-in-cell simulations, which can be computationally intensive and…

Plasma Physics · Physics 2025-05-08 Xiaoning Wang , Ming Zeng , Dazhang Li , Weiming An , Wei Lu

The upcoming exascale era will provide a new generation of physics simulations. These simulations will have a high spatiotemporal resolution, which will impact the training of machine learning models since storing a high amount of…

Machine Learning · Computer Science 2022-11-10 Patrick Stiller , Varun Makdani , Franz Pöschel , Richard Pausch , Alexander Debus , Michael Bussmann , Nico Hoffmann

Plasma simulations are among the most computationally demanding scientific workloads, combining high-dimensional kinetic evolution, particle-mesh coupling, field solves, and data-intensive communication. As general-purpose processor scaling…

Agent-based modeling (ABM) is a powerful computational approach for studying complex biological and biomedical systems, yet its widespread use remains limited by significant computational demands. As models become increasingly…

Quantitative Methods · Quantitative Biology 2025-04-17 Kerri-Ann Norton , Daniel Bergman , Harsh Vardhan Jain , Trachette Jackson

The Kernel Polynomial Method (KPM) is one of the fast diagonalization methods used for simulations of quantum systems in research fields of condensed matter physics and chemistry. The algorithm has a difficulty to be parallelized on a…

Computational Physics · Physics 2011-05-30 Shixun Zhang , Shinichi Yamagiwa , Masahiko Okumura , Seiji Yunoki

Molecular dynamics facilitates the simulation of a complex system to be analyzed at molecular and atomic levels. Simulations can last a long period of time, even months. Due to this cause the graphics processing units (GPUs) and multi-core…

Computational Physics · Physics 2021-02-02 Iuliana Marin , Nicolae Goga , Maria Goga

A new parallel algorithm utilizing partitioned global address space (PGAS) programming model to achieve high scalability is reported for particle tracking in direct numerical simulations of turbulent flow. The work is motivated by the…

Computational Physics · Physics 2020-05-28 Dhawal Buaria , P. K. Yeung

Cardiovascular disease affects millions of people worldwide and its social and economic cost clearly motivates scientific research. Computer simulation can lead to a better understanding of cardiac physiology, and for pathology presents…

Biological Physics · Physics 2023-02-27 Toby Simpson

Surrogates, models that mimic the behavior of programs, form the basis of a variety of development workflows. We study three surrogate-based design patterns, evaluating each in case studies on a large-scale CPU simulator. With surrogate…

Programming Languages · Computer Science 2021-12-14 Alex Renda , Yi Ding , Michael Carbin

In this work, we optimize speculative sampling for parallel hardware accelerators to improve sampling speed. We notice that substantial portions of the intermediate matrices necessary for speculative sampling can be computed concurrently.…

Machine Learning · Computer Science 2024-10-04 Dominik Wagner , Seanie Lee , Ilja Baumann , Philipp Seeberger , Korbinian Riedhammer , Tobias Bocklet

Simulation is increasingly being used for generating large labelled datasets in many machine learning problems. Recent methods have focused on adjusting simulator parameters with the goal of maximising accuracy on a validation task, usually…

Computer Vision and Pattern Recognition · Computer Science 2020-08-20 Harkirat Singh Behl , Atılım Güneş Baydin , Ran Gal , Philip H. S. Torr , Vibhav Vineet

Hardware accelerators, such as those based on GPUs and FPGAs, offer an excellent opportunity to efficiently parallelize functionalities. Recently, modern embedded platforms started being equipped with such accelerators, resulting in a…

Distributed, Parallel, and Cluster Computing · Computer Science 2022-05-16 Daniel Casini , Paolo Pazzaglia , Alessandro Biondi , Marco Di Natale

In this paper, we are interested in the acceleration of numerical simulations. We focus on a hypersonic planetary reentry problem whose simulation involves coupling fluid dynamics and chemical reactions. Simulating chemical reactions takes…

Machine Learning · Statistics 2022-10-03 Paul Novello , Gaël Poëtte , David Lugato , Simon Peluchon , Pietro Marco Congedo

We provide a mathematically proven parallelization scheme for particle methods on distributed-memory computer systems. Particle methods are a versatile and widely used class of algorithms for computer simulations and numerical predictions…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-01-05 Johannes Pahlke , Ivo F. Sbalzarini

This review aims at providing an up-to-date status and a general introduction to the subject of the numerical study of energetic particle acceleration and transport in turbulent astrophysical flows. The subject is also complemented by a…

High Energy Astrophysical Phenomena · Physics 2020-02-26 A. Marcowith , G. Ferrand , M. Grech , Z. Meliani , I. Plotnikov , R. Walder

Large-scale numerical simulations underpin modern scientific discovery but remain constrained by prohibitive computational costs. AI surrogates offer acceleration, yet adoption in mission-critical settings is limited by concerns over…

Machine Learning · Computer Science 2025-09-30 Dawei Gao , Dali Wang , Zhuowei Gu , Qinglei Cao , Xiao Wang , Peter Thornton , Dan Ricciuto , Yunhe Feng

Molecular dynamics (MD) simulation is one of the past decade's most important tools for enabling biology scientists and researchers to explore human health and diseases. However, due to the computation complexity of the MD algorithm, it…

Computational Physics · Physics 2016-11-15 Jason Cong , Zhenman Fang , Hassan Kianinejad , Peng Wei