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Understanding the complex behavior of molecular systems is fundamental to fields such as physics, materials science, and biology. Molecular dynamics (MD) simulations are crucial tools for studying atomic-level dynamics. This work focuses on…

Computational Engineering, Finance, and Science · Computer Science 2025-07-16 David Martin , Samuel James Newcome , Markus Mühlhäußer , Manish Kumar Mishra , Fabio Alexander Gratl , Hans-Joachim Bungartz

Implicit solvers present strong limitations when used on supercomputing facilities and in particular for adaptive mesh-refinement codes. We present a new method for implicit adaptive time-stepping on adaptive mesh refinement-grids. We…

Instrumentation and Methods for Astrophysics · Physics 2014-03-05 Benoit Commercon , Vincent Debout , Romain Teyssier

Inverse design of large-area metasurfaces can potentially exploit the full parameter space that such devices offer and achieve highly efficient multifunctional flat optical elements. However, since practically useful flat optics elements…

Multi-Robot-Arm Motion Planning (M-RAMP) is a challenging problem featuring complex single-agent planning and multi-agent coordination. Recent advancements in extending the popular Conflict-Based Search (CBS) algorithm have made large…

Robotics · Computer Science 2024-07-30 Yorai Shaoul , Rishi Veerapaneni , Maxim Likhachev , Jiaoyang Li

Time series modeling is a well-established problem, which often requires that methods (1) expressively represent complicated dependencies, (2) forecast long horizons, and (3) efficiently train over long sequences. State-space models (SSMs)…

Machine Learning · Computer Science 2023-03-17 Michael Zhang , Khaled K. Saab , Michael Poli , Tri Dao , Karan Goel , Christopher Ré

Computational studies that use block-structured adaptive mesh refinement (AMR) approaches suffer from unnecessarily high mesh resolution in regions adjacent to important solution features. This deficiency limits the performance of AMR…

Computational Physics · Physics 2022-03-02 Brandon Gusto , Tomasz Plewa

Multirate time integration methods apply different step sizes to resolve different components of the system based on the local activity levels. This local selection of step sizes allows increased computational efficiency while achieving the…

Numerical Analysis · Computer Science 2021-12-22 Arash Sarshar , Steven Roberts , Adrian Sandu

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

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

Accurate phase diagram prediction is crucial for understanding alloy thermodynamics and advancing materials design. While traditional CALPHAD methods are robust, they are resource-intensive and limited by experimentally assessed data. This…

Materials Science · Physics 2025-07-08 Siya Zhu , Raymundo Arróyave , Doğuhan Sarıtürk

Consumer-electronics systems are becoming increasingly complex as the number of integrated applications is growing. Some of these applications have real-time requirements, while other non-real-time applications only require good average…

Distributed, Parallel, and Cluster Computing · Computer Science 2017-11-28 Anna Minaeva , Premysl Sucha , Benny Akesson , Zdenek Hanzalek

We develop a semi-implicit algorithm for time-accurate simulation of the compressible Navier-Stokes equations, with special reference to wall-bounded flows. The method is based on linearization of the partial convective fluxes associated…

Fluid Dynamics · Physics 2016-08-31 Davide Modesti , Sergio Pirozzoli

In this paper, we present a multiple-time-step integration algorithm (MTSA) for particle collisions in particle-resolved simulations. Since the time step required for resolving a collision process is much smaller than that for a fluid flow,…

Fluid Dynamics · Physics 2023-03-28 Zhengping Zhu , Ruifeng Hu , Xiaojing Zheng

This paper considers sequential adaptive estimation of sparse signals under a constraint on the total sensing effort. The advantage of adaptivity in this context is the ability to focus more resources on regions of space where signal…

Methodology · Statistics 2013-04-03 Dennis Wei , Alfred O. Hero

In multiobjective optimization, inertial gradient systems accelerate convergence toward weakly Pareto optimal solutions. To achieve even faster convergence, we introduce a multiobjective inertial gradient system with time scaling (MITS),…

Optimization and Control · Mathematics 2026-01-08 Yingdong Yin

Various parallelism, such as data, tensor, and pipeline parallelism, along with memory optimizations like activation checkpointing, redundancy elimination, and offloading, have been proposed to accelerate distributed training for Large…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-03-26 Zhanda Zhu , Christina Giannoula , Muralidhar Andoorveedu , Qidong Su , Karttikeya Mangalam , Bojian Zheng , Gennady Pekhimenko

Large-scale multiphysics simulations are computationally challenging due to the coupling of multiple processes with widely disparate time scales. The advent of exascale computing systems exacerbates these challenges, since these enable ever…

Numerical Analysis · Mathematics 2024-03-07 John J. Loffeld , Andy Nonaka , Daniel R. Reynolds , David J. Gardner , Carol S. Woodward

Symplectic integration algorithms have become popular in recent years in long-term orbital integrations because these algorithms enforce certain conservation laws that are intrinsic to Hamiltonian systems. For problems with large variations…

Astrophysics · Physics 2007-05-23 Man Hoi Lee , Martin J. Duncan , Harold F. Levison

Distributed optimization is widely deployed in practice to solve a broad range of problems. In a typical asynchronous scheme, workers calculate gradients with respect to out-of-date optimization parameters while the master uses stale (i.e.,…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-12-17 Haider Al-Lawati , Stark C. Draper

This paper studies a multiple intelligent reflecting surfaces (IRSs) collaborative localization system where multiple semi-passive IRSs are deployed in the network to locate one or more targets based on time-of-arrival. It is assumed that…

Information Theory · Computer Science 2024-06-18 Ziheng Zhang , Wen Chen , Qingqing Wu , Zhendong Li , Xusheng Zhu , Jingfeng Chen , Nan Cheng
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