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We present the basic idea, implementation, measured performance and performance model of FDPS (Framework for developing particle simulators). FDPS is an application-development framework which helps the researchers to develop particle-based…

Instrumentation and Methods for Astrophysics · Physics 2016-06-15 Masaki Iwasawa , Ataru Tanikawa , Natsuki Hosono , Keigo Nitadori , Takayuki Muranushi , Junichiro Makino

The Multilevel Monte Carlo (MLMC) method has proven to be an effective variance-reduction statistical method for Uncertainty Quantification (UQ) in Partial Differential Equation (PDE) models, combining model computations at different levels…

Mathematical Software · Computer Science 2023-05-24 Santiago Badia , Jerrad Hampton , Javier Principe

In-memory computing technology is used extensively in artificial intelligence devices due to lower power consumption and fast calculation of matrix-based functions. The development of such a device and its integration in a system takes a…

Furthering our understanding of many of today's interesting problems in plasma physics---including plasma based acceleration and magnetic reconnection with pair production due to quantum electrodynamic effects---requires large-scale kinetic…

Computational Physics · Physics 2020-10-28 Kyle G. Miller , Roman P. Lee , Adam Tableman , Anton Helm , Ricardo A. Fonseca , Viktor K. Decyk , Warren B. Mori

Energy system optimization models are increasing in scope and resolution, yielding large and challenging linear programs. For a long time, the standard way to address such problems has relied on shared-memory interior-point methods (IPM),…

Optimization and Control · Mathematics 2026-05-07 Janina Zittel , Annika Buchholz , Michael Bussieck , Frederik Fiand , Thorsten Koch , Lukas Mehl , Niels Lindner , Manuel Wetzel

The Cellular Potts Model (CPM) is a widely used simulation paradigm for systems of interacting cells that has been used to study scenarios ranging from plant development to morphogenesis, tumour growth and cell migration. Despite their wide…

Tissues and Organs · Quantitative Biology 2023-12-18 Shabaz Sultan , Sapna Devi , Scott N. Mueller , Johannes Textor

Massively parallel computer architectures create new opportunities for the performance of long-timescale molecular dynamics (MD) simulations. Here, we introduce the path-accelerated molecular dynamics (PAMD) method that takes advantage of…

Computational Physics · Physics 2021-01-11 Jorge L. Rosa-Raíces , Bin Zhang , Thomas F. Miller

We propose a parareal based time parallelization scheme in the phase-space for the particle-in-Fourier (PIF) discretization of the Vlasov-Poisson system used in kinetic plasma simulations. We use PIF with a coarse tolerance for the…

Numerical Analysis · Mathematics 2025-06-17 Sriramkrishnan Muralikrishnan , Robert Speck

Sequential computation is well understood but does not scale well with current technology. Within the next decade, systems will contain large numbers of processors with potentially thousands of processors per chip. Despite this, many…

Hardware Architecture · Computer Science 2015-11-17 James Hanlon

Accurate and efficient prediction of multi-scale flows remains a formidable challenge. Constructing theoretical models and numerical methods often involves the design and optimization of parameters. While gradient descent methods have been…

Computational Physics · Physics 2026-02-10 Tianbai Xiao

It is a challenging task to train large DNN models on sophisticated GPU platforms with diversified interconnect capabilities. Recently, pipelined training has been proposed as an effective approach for improving device utilization. However,…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-07-03 Shiqing Fan , Yi Rong , Chen Meng , Zongyan Cao , Siyu Wang , Zhen Zheng , Chuan Wu , Guoping Long , Jun Yang , Lixue Xia , Lansong Diao , Xiaoyong Liu , Wei Lin

As computer clusters become more common and the size of the problems encountered in the field of AI grows, there is an increasing demand for efficient parallel inference algorithms. We consider the problem of parallel inference on large…

Artificial Intelligence · Computer Science 2012-05-14 Joseph E. Gonzalez , Yucheng Low , Carlos E. Guestrin , David O'Hallaron

The simulation of large ensembles of particles is usually parallelized by partitioning the domain spatially and using message passing to communicate between the processes handling neighboring subdomains. The particles are represented as…

Distributed, Parallel, and Cluster Computing · Computer Science 2018-08-03 Sebastian Eibl , Ulrich Rüde

A highly adaptive load balancing algorithm for parallel simulations using particle methods, such as molecular dynamics and smoothed particle hydrodynamics (SPH), is developed. Our algorithm is based on the dynamic spatial decomposition of…

Computational Physics · Physics 2018-11-14 M. S. Egorova , S. A. Dyachkov , A. N. Parshikov , V. V. Zhakhovsky

We present efficient algorithms to build data structures and the lists needed for fast multipole methods. The algorithms are capable of being efficiently implemented on both serial, data parallel GPU and on distributed architectures. With…

Mathematical Software · Computer Science 2013-01-10 Qi Hu , Nail A. Gumerov , Ramani Duraiswami

We introduce a scheme for molecular simulations, the Deep Potential Molecular Dynamics (DeePMD) method, based on a many-body potential and interatomic forces generated by a carefully crafted deep neural network trained with ab initio data.…

Computational Physics · Physics 2018-04-11 Linfeng Zhang , Jiequn Han , Han Wang , Roberto Car , Weinan E

We present a parallel hierarchical solver for general sparse linear systems on distributed-memory machines. For large-scale problems, this fully algebraic algorithm is faster and more memory-efficient than sparse direct solvers because it…

Numerical Analysis · Mathematics 2017-12-21 Chao Chen , Hadi Pouransari , Sivasankaran Rajamanickam , Erik G. Boman , Eric Darve

Maximal Clique Enumeration (MCE) is a fundamental graph mining problem, and is useful as a primitive in identifying dense structures in a graph. Due to the high computational cost of MCE, parallel methods are imperative for dealing with…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-01-31 Apurba Das , Seyed-Vahid Sanei-Mehri , Srikanta Tirthapura

We discuss how string sorting algorithms can be parallelized on modern multi-core shared memory machines. As a synthesis of the best sequential string sorting algorithms and successful parallel sorting algorithms for atomic objects, we…

Data Structures and Algorithms · Computer Science 2013-05-07 Timo Bingmann , Peter Sanders

In the recent decade companies started collecting of large amount of data. Without a proper analyse, the data are usually useless. The field of analysing the data is called data mining. Unfortunately, the amount of data is quite large: the…

Databases · Computer Science 2021-08-12 Robert Kessl
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