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In cryo-electron microscopy (EM), molecular structures are determined from large numbers of projection images of individual particles. To harness the full power of this single-molecule information, we use the Bayesian inference of EM…

Biomolecules · Quantitative Biology 2018-01-17 Pilar Cossio , David Rohr , Fabio Baruffa , Markus Rampp , Volker Lindenstruth , Gerhard Hummer

The global scarcity of GPUs necessitates more sophisticated strategies for Deep Learning jobs in shared cluster environments. Accurate estimation of how much GPU memory a job will require is fundamental to enabling advanced scheduling and…

Performance · Computer Science 2025-10-27 Jiabo Shi , Dimitrios Pezaros , Yehia Elkhatib

We perform high resolution N-body simulations for f(R) gravity based on a self-adaptive particle- mesh code MLAPM. The Chameleon mechanism that recovers General Relativity on small scales is fully taken into account by self-consistently…

Cosmology and Nongalactic Astrophysics · Physics 2011-02-18 Gong-Bo Zhao , Baojiu Li , Kazuya Koyama

Incoherent dedispersion is a computationally intensive problem that appears frequently in pulsar and transient astronomy. For current and future transient pipelines, dedispersion can dominate the total execution time, meaning its…

Instrumentation and Methods for Astrophysics · Physics 2015-06-03 Benjamin R. Barsdell , Matthew Bailes , David G. Barnes , Christopher J. Fluke

Many scientific computing problems can be reduced to Matrix-Matrix Multiplications (MMM), making the General Matrix Multiply (GEMM) kernels in the Basic Linear Algebra Subroutine (BLAS) of interest to the high-performance computing…

Hardware Architecture · Computer Science 2023-05-31 Louis Ledoux , Marc Casas

This paper presents a novel approach, named the Group Marching Tree (GMT*) algorithm, to planning on GPUs at rates amenable to application within control loops, allowing planning in real-world settings via repeated computation of…

Robotics · Computer Science 2017-05-09 Brian Ichter , Edward Schmerling , Marco Pavone

Developing an efficient code for large, multiscale astrophysical simulations is crucial in preparing the upcoming era of exascale computing. RAMSES is an astrophysical simulation code that employs parallel processing based on the Message…

Instrumentation and Methods for Astrophysics · Physics 2024-11-25 San Han , Yohan Dubois , Jaehyun Lee , Juhan Kim , Corentin Cadiou , Sukyoung K. Yi

We show that a simple algorithm for computing a matching on a graph runs in a logarithmic number of phases incurring work linear in the input size. The algorithm can be adapted to provide efficient algorithms in several models of…

Data Structures and Algorithms · Computer Science 2014-02-04 Marcel Birn , Vitaly Osipov , Peter Sanders , Christian Schulz , Nodari Sitchinava

The most efficient way to calculate strong bisimilarity is by calculation the relational coarsest partition on a transition system. We provide the first linear time algorithm to calculate strong bisimulation using parallel random access…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-05-26 Jan Martens , Jan Friso Groote , Lars van den Haak , Pieter Hijma , Anton Wijs

Scaling laws for Large Language Models (LLMs) establish that model quality improves with computational scale, yet edge deployment imposes strict constraints on compute, memory, and power. Since General Matrix Multiplication (GEMM) accounts…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-05-05 M. Grailoo , J. Núñez-Yáñez

RPYFMM is a software package for the efficient evaluation of the potential field governed by the Rotne-Prager-Yamakawa (RPY) tensor interactions in biomolecular hydrodynamics simulations. In our algorithm, the RPY tensor is decomposed as a…

Distributed, Parallel, and Cluster Computing · Computer Science 2018-04-04 W. Guan , X. Cheng , J. Huang , G. Huber , W. Li , J. A. McCammon , B. Zhang

Simulations of physical phenomena are essential to the expedient design of precision components in aerospace and other high-tech industries. These phenomena are often described by mathematical models involving partial differential equations…

Computational Physics · Physics 2017-01-05 Daniel Magee , Kyle E Niemeyer

We present an implementation of all-electron density-functional theory for massively parallel GPGPU-based platforms, using localized atom-centered basis functions and real-space integration grids. Special attention is paid to domain…

Computational Physics · Physics 2020-07-24 William Huhn , Björn Lange , Victor Wen-zhe Yu , Mina Yoon , Volker Blum

We present a GPU-accelerated cosmological simulation code, PhotoNs-GPU, based on algorithm of Particle Mesh Fast Multipole Method (PM-FMM), and focus on the GPU utilization and optimization. A proper interpolated method for truncated…

Instrumentation and Methods for Astrophysics · Physics 2021-12-28 Qiao Wang , Chen Meng

We propose a highly parallel primal-dual algorithm for the multicut (a.k.a. correlation clustering) problem, a classical graph clustering problem widely used in machine learning and computer vision. Our algorithm consists of three steps…

Distributed, Parallel, and Cluster Computing · Computer Science 2022-03-14 Ahmed Abbas , Paul Swoboda

This work presents a novel three-dimensional Crack Element Method (CEM) designed to model transient dynamic crack propagation in quasi-brittle materials efficiently. CEM introduces an advanced element-splitting algorithm that enables…

Computational Engineering, Finance, and Science · Computer Science 2025-08-07 Yuxi Xie , C. T. Wu , Wei Hu , Lu Xu , Tinh Q. Bui , Shaofan Li

Sequential robot manipulation tasks require finding collision-free trajectories that satisfy geometric constraints across multiple object interactions in potentially high-dimensional configuration spaces. Solving these problems in real-time…

Robotics · Computer Science 2025-10-14 Lucas Chen , Shrutheesh Raman Iyer , Zachary Kingston

High-level applications, such as machine learning, are evolving from simple models based on multilayer perceptrons for simple image recognition to much deeper and more complex neural networks for self-driving vehicle control systems.The…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-10-12 Guixiang Ma , Yao Xiao , Theodore L. Willke , Nesreen K. Ahmed , Shahin Nazarian , Paul Bogdan

I compare various popular and unpopular techniques for simulating large collisionless stellar systems. I give a quantitative comparison of the raw cpu times required for five separate codes, including tree codes and basis function…

Astrophysics · Physics 2008-02-03 J A Sellwood

We present a parallel algorithm for computing the treewidth of a graph on a GPU. We implement this algorithm in OpenCL, and experimentally evaluate its performance. Our algorithm is based on an $O^*(2^{n})$-time algorithm that explores the…

Distributed, Parallel, and Cluster Computing · Computer Science 2017-09-29 Tom C. van der Zanden , Hans L. Bodlaender