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Large molecular dynamics simulations (millions of atoms, tens of microseconds, thousands of processors) hit the strong scalability wall: simulation on twice as many processors does not take half the time. Inspired by large N-body space…

Numerical Analysis · Computer Science 2013-10-21 Jana Pazúriková , Luděk Matyska

We study the first order phase transition of the fixed-connectivity triangulated surface model using the Parallel Tempering Monte Carlo (PTMC) technique on relatively large lattices. From the PTMC results, we find that the transition is…

Soft Condensed Matter · Physics 2016-01-29 Satoshi Usui , Hiroshi Koibuchi

Kernel matrix-vector product is ubiquitous in many science and engineering applications. However, a naive method requires $O(N^2)$ operations, which becomes prohibitive for large-scale problems. We introduce a parallel method that provably…

Mathematical Software · Computer Science 2021-04-30 Ruoxi Wang , Chao Chen , Jonghyun Lee , Eric Darve

The time-dependent equation-of-motion coupled cluster (TD-EOM-CC) and time-dependent coupled cluster (TDCC) methods are compared by simulating Rabi oscillations for different numbers of non-interacting atoms in a classical electromagnetic…

Chemical Physics · Physics 2023-10-02 Andreas S. Skeidsvoll , Henrik Koch

Pipeline parallelism enables training models that exceed single-device memory, but practical throughput remains limited by pipeline bubbles. Although parameter freezing can improve training throughput by adaptively skipping backward…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-02-09 Seonghye Cho , Jaemin Han , Hyunjin Kim , Euisoo Jung , Jae-Gil Lee

Time series analysis faces significant challenges in handling variable-length data and achieving robust generalization. While Transformer-based models have advanced time series tasks, they often struggle with feature redundancy and limited…

Machine Learning · Computer Science 2025-09-23 Kai Zhang , Siming Sun , Zhengyu Fan , Qinmin Yang , Xuejun Jiang

Multivariate partial fractioning is a powerful tool for simplifying rational function coefficients in scattering amplitude computations. Since current research problems lead to large sets of complicated rational functions, performance of…

High Energy Physics - Phenomenology · Physics 2022-12-19 Dominik Bendle , Janko Boehm , Murray Heymann , Rourou Ma , Mirko Rahn , Lukas Ristau , Marcel Wittmann , Zihao Wu , Yang Zhang

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

This study considers the control problem with signal temporal logic (STL) specifications. Prior works have adopted smoothing techniques to address this problem within a feasible time frame and solve the problem by applying sequential…

Systems and Control · Electrical Eng. & Systems 2024-01-30 Yoshinari Takayama , Kazumune Hashimoto , Toshiyuki Ohtsuka

We propose a nonlinear model predictive control (NMPC) framework based on a direct optimal control method that ensures continuous-time constraint satisfaction and accurate evaluation of the running cost, without compromising computational…

Optimization and Control · Mathematics 2024-05-02 Samet Uzun , Purnanand Elango , Abhinav G. Kamath , Taewan Kim , Behcet Acikmese

Real-time coupled cluster (CC) methods have several advantages over their frequency-domain counterparts, namely, response and equation of motion CC theories. Broadband spectra, strong fields, and pulse manipulation allow for the simulation…

Chemical Physics · Physics 2023-08-04 Benjamin G. Peyton , Zhe Wang , T. Daniel Crawford

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

Many astrophysical simulations involve extreme dynamic range of timescales around 'special points' in the domain (e.g. black holes, stars, planets, disks, galaxies, shocks, mixing interfaces), where processes on small scales couple strongly…

Instrumentation and Methods for Astrophysics · Physics 2026-05-11 Philip F. Hopkins , Elias R. Most

A general-purpose computational homogenization framework is proposed for the nonlinear dynamic analysis of membranes exhibiting complex microscale and/or mesoscale heterogeneity characterized by in-plane periodicity that cannot be…

Computational Engineering, Finance, and Science · Computer Science 2021-01-28 Philip Avery , Daniel Z. Huang , Wanli He , Johanna Ehlers , Armen Derkevorkian , Charbel Farhat

Recent advances in computing architectures and networking are bringing parallel computing systems to the masses so increasing the number of potential users of these kinds of systems. In particular, two important technological evolutions are…

Distributed, Parallel, and Cluster Computing · Computer Science 2017-04-05 Gabriele D'Angelo , Moreno Marzolla

We consider a parallel computational model that consists of $P$ processors, each with a fast local ephemeral memory of limited size, and sharing a large persistent memory. The model allows for each processor to fault with bounded…

Distributed, Parallel, and Cluster Computing · Computer Science 2018-06-15 Guy E. Blelloch , Phillip B. Gibbons , Yan Gu , Charles McGuffey , Julian Shun

The motivation of this work is the detection of cerebrovascular accidents by microwave tomographic imaging. This requires the solution of an inverse problem relying on a minimization algorithm (for example, gradient-based), where successive…

Computational Engineering, Finance, and Science · Computer Science 2020-03-23 P. -H. Tournier , I. Aliferis , M. Bonazzoli , M. de Buhan , M. Darbas , V. Dolean , F. Hecht , P. Jolivet , I. El Kanfoud , C. Migliaccio , F. Nataf , C. Pichot , S. Semenov

Sparse general matrix-matrix multiplication (spGEMM) is an essential component in many scientific and data analytics applications. However, the sparsity pattern of the input matrices and the interaction of their patterns make spGEMM…

Mathematical Software · Computer Science 2020-10-01 Orestis Zachariadis , Nitin Satpute , Juan Gómez-Luna , Joaquín Olivares

Applying machine learning (ML) on multivariate time series data has growing popularity in many application domains, including in computer system management. For example, recent high performance computing (HPC) research proposes a variety of…

Machine Learning · Computer Science 2021-08-20 Emre Ates , Burak Aksar , Vitus J. Leung , Ayse K. Coskun

Combining the time-dependent variational principle (TDVP) algorithm with the parallelization scheme introduced by Stoudenmire and White for the density matrix renormalization group (DMRG), we present the first parallel matrix product state…