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The alternating direction method of multipliers (ADMM) is a powerful operator splitting technique for solving structured convex optimization problems. Due to its relatively low per-iteration computational cost and ability to exploit…

Optimization and Control · Mathematics 2020-06-09 Michel Schubiger , Goran Banjac , John Lygeros

Differentiable simulation of soft bodies is a foundation for system identification, trajectory optimization, and Real2Sim transfer. Yet, existing methods such as the differentiable Projective Dynamics (DiffPD) struggle when faced with…

Wrapping a computation domain with a perfectly matched layer (PML) is one of the most effective methods of imitating/approximating the radiation boundary condition in Maxwell and wave equation solvers. Many PML implementations often use a…

Numerical Analysis · Mathematics 2021-09-03 Liang Chen , Mehmet Burak Ozakin , Shehab Ahmed , Hakan Bagci

The timestep of the Finite-Difference Time-Domain method (FDTD) is constrained by the stability limit known as the Courant-Friedrichs-Lewy (CFL) condition. This limit can make FDTD simulations quite time consuming for structures containing…

Computational Engineering, Finance, and Science · Computer Science 2016-06-29 Xihao Li , Costas D. Sarris , Piero Triverio

The Graphics Processing Unit (GPU) is a powerful tool for parallel computing. In the past years the performance and capabilities of GPUs have increased, and the Compute Unified Device Architecture (CUDA) - a parallel computing architecture…

Computational Physics · Physics 2009-12-17 Ferenc Molnar , Tamas Szakaly , Robert Meszaros , Istvan Lagzi

Molecular dynamics (MD) simulation is a powerful computational tool to study the behavior of macromolecular systems. But many simulations of this field are limited in spatial or temporal scale by the available computational resource. In…

Computational Physics · Physics 2010-01-22 Ji Xu , Ying Ren , Wei Ge , Xiang Yu , Xiaozhen Yang , Jinghai Li

The accuracy of phaseless auxiliary-field quantum Monte Carlo (ph-AFQMC) can be systematically improved with better trial states. Using multi-Slater determinant trial states, ph-AFQMC has the potential to faithfully treat strongly…

Chemical Physics · Physics 2024-06-13 Yifei Huang , Zhen Guo , Hung Q. Pham , Dingshun Lv

We present a new adaptive parallel algorithm for the challenging problem of multi-dimensional numerical integration on massively parallel architectures. Adaptive algorithms have demonstrated the best performance, but efficient many-core…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-06-24 Ioannis Sakiotis , Kamesh Arumugam , Marc Paterno , Desh Ranjan , Balša Terzić , Mohammad Zubair

Matrix factorization (MF) is employed by many popular algorithms, e.g., collaborative filtering. The emerging GPU technology, with massively multicore and high intra-chip memory bandwidth but limited memory capacity, presents an opportunity…

Distributed, Parallel, and Cluster Computing · Computer Science 2016-10-25 Wei Tan , Liangliang Cao , Liana Fong

The training process of Deep Neural Network (DNN) is compute-intensive, often taking days to weeks to train a DNN model. Therefore, parallel execution of DNN training on GPUs is a widely adopted approach to speed up the process nowadays.…

Distributed, Parallel, and Cluster Computing · Computer Science 2019-10-29 Chi-Chung Chen , Chia-Lin Yang , Hsiang-Yun Cheng

In this work, we survey the role of GPUs in real-time systems. Originally designed for parallel graphics workloads, GPUs are now widely used in time-critical applications such as machine learning, autonomous vehicles, and robotics due to…

Branch-and-Bound (B&B) algorithms are time intensive tree-based exploration methods for solving to optimality combinatorial optimization problems. In this paper, we investigate the use of GPU computing as a major complementary way to speed…

Distributed, Parallel, and Cluster Computing · Computer Science 2012-08-21 Melab Nouredine , Imen Chakroun , Mezmaz Mohand , Daniel Tuyttens

GROMACS is one of the most widely used HPC software packages using the Molecular Dynamics (MD) simulation technique. In this work, we quantify GROMACS parallel performance using different configurations, HPC systems, and FFT libraries…

Computational Physics · Physics 2023-08-02 Måns I. Andersson , N. Arul Murugan , Artur Podobas , Stefano Markidis

Speeding up computationally expensive problems, such as numerical simulations of large micromagnetic systems, requires efficient use of parallel computing infrastructures. While parallelism across space is commonly exploited in…

Computational Physics · Physics 2023-10-19 Robert Kraft , Sabri Koraltan , Markus Gattringer , Florian Bruckner , Dieter Suess , Claas Abert

A technique of magnetized plasma simulation have been implemented into a well known FDTD solver MEEP as a child class of "susceptibility" class. Magnetized plasma posses gyrotrophic properties, polarization vector is being rotated while the…

Computational Physics · Physics 2018-12-11 Aleksandr Friman

We discuss the application of graphical processing units (GPUs) to accelerate real-space density functional theory (DFT) calculations. To make our implementation efficient, we have developed a scheme to expose the data parallelism available…

Computational Physics · Physics 2013-09-02 Xavier Andrade , Alán Aspuru-Guzik

To solve optimization problems with parabolic PDE constraints, often methods working on the reduced objective functional are used. They are computationally expensive due to the necessity of solving both the state equation and a…

Optimization and Control · Mathematics 2019-12-17 Sebastian Götschel , Michael L. Minion

To analyze large sets of grid states, e.g. when evaluating the impact from the uncertainties of the renewable generation with probabilistic Monte Carlo simulation or in stationary time series simulation, large number of power flow…

Computational Engineering, Finance, and Science · Computer Science 2021-04-29 Zhenqi Wang , Sebastian Wende-von Berg , Martin Braun

We present cudaclaw, a CUDA-based high performance data-parallel framework for the solution of multidimensional hyperbolic partial differential equation (PDE) systems, equations describing wave motion. cudaclaw allows computational…

Mathematical Software · Computer Science 2018-05-24 H. Gorune Ohannessian , George Turkiyyah , Aron Ahmadia , David Ketcheson

GPUs are readily available in cloud computing and personal devices, but their use for data processing acceleration has been slowed down by their limited integration with common programming languages such as Python or Java. Moreover, using…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-01-20 Alberto Parravicini , Arnaud Delamare , Marco Arnaboldi , Marco D. Santambrogio