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We introduce a new high-performance design for parallelism within the Quantum Monte Carlo code QMCPACK. We demonstrate that the new design is better able to exploit the hierarchical parallelism of heterogeneous architectures compared to the…

Computational Physics · Physics 2023-04-19 Ye Luo , Peter Doak , Paul Kent

Parallel programming models can encourage performance portability by moving the responsibility for work assignment and data distribution from the programmer to a runtime system. However, analyzing the resulting implicit memory allocations,…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-03-14 Fabian Knorr , Philip Salzmann , Peter Thoman , Thomas Fahringer

Nonconvex mixed-integer nonlinear programs (MINLPs) represent a challenging class of optimization problems that often arise in engineering and scientific applications. Because of nonconvexities, these programs are typically solved with…

Optimization and Control · Mathematics 2018-06-27 Ole Kröger , Carleton Coffrin , Hassan Hijazi , Harsha Nagarajan

Graphics processing units (GPU) had evolved from a specialized hardware capable to render high quality graphics in games to a commodity hardware for effective processing blocks of data in a parallel schema. This evolution is particularly…

Distributed, Parallel, and Cluster Computing · Computer Science 2012-03-26 Luis Cabellos

We present the Julia package PauliStrings ( https://github.com/nicolasloizeau/PauliStrings.jl ) for quantum many-body simulations, which performs fast operations on the Pauli group by encoding Pauli strings in binary. All of the Pauli…

Quantum Physics · Physics 2025-03-26 Nicolas Loizeau , J. Clayton Peacock , Dries Sels

Diffusion models have achieved great success in synthesizing high-quality images. However, generating high-resolution images with diffusion models is still challenging due to the enormous computational costs, resulting in a prohibitive…

Computer Vision and Pattern Recognition · Computer Science 2024-07-16 Muyang Li , Tianle Cai , Jiaxin Cao , Qinsheng Zhang , Han Cai , Junjie Bai , Yangqing Jia , Ming-Yu Liu , Kai Li , Song Han

Accurate and efficient methods to simulate nonadiabatic and quantum nuclear effects in high-dimensional and dissipative systems are crucial for the prediction of chemical dynamics in condensed phase. To facilitate effective development,…

The vision of super computer at every desk can be realized by powerful and highly parallel CPUs or GPUs or APUs. Graphics processors once specialized for the graphics applications only, are now used for the highly computational intensive…

Distributed, Parallel, and Cluster Computing · Computer Science 2012-04-16 Chittampally Vasanth Raja , Srinivas Balasubramanian , Prakash S Raghavendra

We introduce ReservoirComputing.jl, an open source Julia library for reservoir computing models. The software offers a great number of algorithms presented in the literature, and allows to expand on them with both internal and external…

Computational Engineering, Finance, and Science · Computer Science 2023-07-04 Francesco Martinuzzi , Chris Rackauckas , Anas Abdelrehim , Miguel D. Mahecha , Karin Mora

Bandwidth-starved multicore chips have become ubiquitous. It is well known that the performance of stencil codes can be improved by temporal blocking, lessening the pressure on the memory interface. We introduce a new pipelined approach…

Distributed, Parallel, and Cluster Computing · Computer Science 2010-06-17 Markus Wittmann , Georg Hager , Jan Treibig , Gerhard Wellein

We present a scheme for the parallelization of quantum Monte Carlo on graphical processing units, focusing on bosonic systems and variational Monte Carlo. We use asynchronous execution schemes with shared memory persistence, and obtain an…

Computational Physics · Physics 2014-12-10 Y. Lutsyshyn

We use the graphics processing unit (GPU) for fast calculations of helicity amplitudes of physics processes. As our first attempt, we compute $u\bar{u}\to n\gamma$ ($n=2$ to 8) processes in $pp$ collisions at $\sqrt{s} = 14$TeV by…

Computational Physics · Physics 2010-10-12 K. Hagiwara , J. Kanzaki , N. Okamura , D. Rainwater , T. Stelzer

PowerDynamics.jl is a Julia package for time-domain modeling of power grids that is specifically designed for the stability analysis of systems with high shares of renewable energies. It makes use of Julia's state-of-the-art differential…

Systems and Control · Electrical Eng. & Systems 2021-12-15 Anton Plietzsch , Raphael Kogler , Sabine Auer , Julia Merino , Asier Gil-de-Muro , Jan Liße , Christina Vogel , Frank Hellmann

This paper presents an experimental evaluation of parallel-in-time Kalman filters and smoothers using graphics processing units (GPUs). In particular, the paper evaluates different all-prefix-sum algorithms, that is, parallel scan…

Computation · Statistics 2025-11-14 Simo Särkkä , Ángel F. García-Fernández

This paper details an extensible OpenCL framework that allows Stan to utilize heterogeneous compute devices. It includes GPU-optimized routines for the Cholesky decomposition, its derivative, other matrix algebra primitives and some…

Mathematical Software · Computer Science 2020-05-19 Rok Češnovar , Steve Bronder , Davor Sluga , Jure Demšar , Tadej Ciglarič , Sean Talts , Erik Štrumbelj

Heterogeneous systems are becoming more common on High Performance Computing (HPC) systems. Even using tools like CUDA and OpenCL it is a non-trivial task to obtain optimal performance on the GPU. Approaches to simplifying this task include…

Distributed, Parallel, and Cluster Computing · Computer Science 2012-01-11 Marek Blazewicz , Steven R. Brandt , Peter Diener , David M. Koppelman , Krzysztof Kurowski , Frank Löffler , Erik Schnetter , Jian Tao

Pre-exascale High Performance Computers (HPC) can reach more than 400 Pflop/s real perfor-mance according the HPLinpack benchmarks. For nanoscience and quantum biology there are requirements for those program codes based on quantum physics…

Distributed, Parallel, and Cluster Computing · Computer Science 2022-10-04 Mindaugas Macernis , Vaidotas Mickus , Janne Ahonen , Laurynas Diska , Jonas Franukevicius , Juozas Sulskus

Many modern parallel computing systems are heterogeneous at their node level. Such nodes may comprise general purpose CPUs and accelerators (such as, GPU, or Intel Xeon Phi) that provide high performance with suitable energy-consumption…

Distributed, Parallel, and Cluster Computing · Computer Science 2017-04-19 Suejb Memeti , Lu Li , Sabri Pllana , Joanna Kolodziej , Christoph Kessler

We present the Julia package HomotopyContinuation.jl, which provides an algorithmic framework for solving polynomial systems by numerical homotopy continuation. We introduce the basic capabilities of the package and demonstrate the software…

Mathematical Software · Computer Science 2018-05-31 Paul Breiding , Sascha Timme

This paper demonstrates how certified computational tools can be used to address various problems in control theory. In particular, we introduce PACE.jl, a Julia package that implements symbolic elimination techniques, including (among…

Symbolic Computation · Computer Science 2025-05-15 Alexander Demin , Christina Katsamaki , Fabrice Rouillier