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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

To harness the power of multi-core and distributed platforms, and to make the development of concurrent software more accessible to software engineers, different object-oriented concurrency models such as SCOOP have been proposed. Despite…

Software Engineering · Computer Science 2015-04-13 Alexander Heußner , Christopher M. Poskitt , Claudio Corrodi , Benjamin Morandi

With the advent of high-performance computing techniques, the data for analysis has grown significantly. Here, graphic processing unit (GPU) based program kernels are discussed to exploit parallelism in the analysis codes specific to…

Computational Physics · Physics 2018-11-07 Gourav Shrivastav , Manish Agarwal

We introduce SeismoStats, a Python package that enables essential statistical seismology analyses, with a focus on well-established methods. The package provides user-friendly tools to download and manipulate earthquake catalogs, but also…

The use of graphics processing units for scientific computations is an emerging strategy that can significantly speed up various different algorithms. In this review, we discuss advances made in the field of computational physics, focusing…

Computational Physics · Physics 2013-03-07 Ari Harju , Topi Siro , Filippo Federici-Canova , Samuli Hakala , Teemu Rantalaiho

Static analysis tools come in many forms andconfigurations, allowing them to handle various tasks in a (secure) development process: code style linting, bug/vulnerability detection, verification, etc., and adapt to the specific requirements…

While Model Predictive Control (MPC) delivers strong performance across robotics applications, solving the underlying (batches of) nonlinear trajectory optimization (TO) problems online remains computationally demanding. Existing…

Robotics · Computer Science 2026-05-11 Alexander Du , Emre Adabag , Gabriel Bravo-Palacios , Brian Plancher

As optimization challenges continue to evolve, so too must our tools and understanding. To effectively assess, validate, and compare optimization algorithms, it is crucial to use a benchmark test suite that encompasses a diverse range of…

Neural and Evolutionary Computing · Computer Science 2025-11-18 Amir H. Gandomi , Mohammad Nabi Omidvar , Rohit Salgotra , Kalyanmoy Deb

Simulating quantum states on a classical computer is hard, typically requiring prohibitive resources in terms of memory and computational power. Efficient simulation, however, can be achieved for certain classes of quantum states, in…

Quantum Physics · Physics 2022-12-19 Igor Brandão , Daniel Tandeitnik , Thiago Guerreiro

We introduce pyGSL, a Python library that provides efficient implementations of state-of-the-art graph structure learning models along with diverse datasets to evaluate them on. The implementations are written in GPU-friendly ways, allowing…

Machine Learning · Computer Science 2022-11-08 Max Wasserman , Gonzalo Mateos

The Cox proportional hazards model stands as a widely-used semi-parametric approach for survival analysis in medical research and many other fields. Numerous extensions of the Cox model have further expanded its versatility. Statistical…

Computation · Statistics 2023-10-26 Jianxiao Yang , Martijn J. Schuemie , Marc A. Suchard

Gaussian boson sampling (GBS) is not only a feasible protocol for demonstrating quantum computational advantage, but also mathematically associated with certain graph-related and quantum chemistry problems. In particular, it is proposed…

Similarity analyses between multiple correlation or covariance tables constitute the cornerstone of network neuroscience. Here, we introduce covSTATIS, a versatile, linear, unsupervised multi-table method designed to identify structured…

Quantitative Methods · Quantitative Biology 2024-04-16 Giulia Baracchini , Ju-Chi Yu , Jenny Rieck , Derek Beaton , Vincent Guillemot , Cheryl Grady , Herve Abdi , R. Nathan Spreng

An efficient method of solving the time-dependent Schr\"odinger equation for pure states is described: At each timestep, a restricted subspace of the total Hilbert space is systematically and naturally constructed via the image of repeated…

Quantum Physics · Physics 2026-05-01 R. Kevin Kessing

We introduce in this paper, HeteroSTA, the first CPU-GPU heterogeneous timing analysis engine that efficiently supports: (1) a set of delay calculation models providing versatile accuracy-speed choices without relying on an external golden…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-11-18 Zizheng Guo , Haichuan Liu , Xizhe Shi , Shenglu Hua , Zuodong Zhang , Chunyuan Zhao , Runsheng Wang , Yibo Lin

In recent years, the Graphics Processing Unit (GPU) has emerged as a low-cost alternative for high performance computing, enabling impressive speed-ups for a range of scientific computing applications. Early adopters in astronomy are…

Instrumentation and Methods for Astrophysics · Physics 2011-11-23 Christopher J. Fluke

General Purpose Graphics Processing Unit (GPGPU) computing plays a transformative role in deep learning and machine learning by leveraging the computational advantages of parallel processing. Through the power of Compute Unified Device…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-11-20 Ming Li , Ziqian Bi , Tianyang Wang , Yizhu Wen , Qian Niu , Xinyuan Song , Zekun Jiang , Junyu Liu , Benji Peng , Sen Zhang , Xuanhe Pan , Jiawei Xu , Jinlang Wang , Keyu Chen , Caitlyn Heqi Yin , Pohsun Feng , Ming Liu

This work proposes a novel approach to evaluate and analyze the behavior of multi-population parallel genetic algorithms (PGAs) when running on a cluster of multi-core processors. In particular, we deeply study their numerical and…

Neural and Evolutionary Computing · Computer Science 2025-08-05 Tomohiro Harada , Enrique Alba , Gabriel Luque

Gaussian graphical models are widely used to represent conditional dependence among random variables. In this paper, we propose a novel estimator for data arising from a group of Gaussian graphical models that are themselves dependent. A…

Machine Learning · Statistics 2016-09-01 Yuying Xie , Yufeng Liu , William Valdar

Graphs are a key form of Big Data, and performing scalable analytics over them is invaluable to many domains. As our ability to collect data grows, there is an emerging class of inter-connected data which accumulates or varies over time,…

Distributed, Parallel, and Cluster Computing · Computer Science 2015-08-21 Yogesh Simmhan , Charith Wickramaarachchi , Alok Kumbhare , Marc Frincu , Soonil Nagarkar , Santosh Ravi , Cauligi Raghavendra , Viktor Prasanna