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The reproduction and replication of research results has become a major issue for a number of scientific disciplines. In computer science and related computational disciplines such as systems biology, the challenges closely revolve around…

Software Engineering · Computer Science 2017-07-31 Tom Crick , Benjamin A. Hall , Samin Ishtiaq

Realistic simulations of detailed, biophysics-based, multi-scale models require very high resolution and, thus, large-scale compute facilities. Existing simulation environments, especially for biomedical applications, are designed to allow…

Computational Engineering, Finance, and Science · Computer Science 2018-02-12 Chris Bradley , Nehzat Emamy , Thomas Ertl , Dominik Göddeke , Andreas Hessenthaler , Thomas Klotz , Aaron Krämer , Michael Krone , Benjamin Maier , Miriam Mehl , Tobias Rau , Oliver Röhrle

Probabilistic programming languages (PPLs) are receiving widespread attention for performing Bayesian inference in complex generative models. However, applications to science remain limited because of the impracticability of rewriting…

In the field of scientific computing, one often finds several alternative software packages (with open or closed source code) for solving a specific problem. These packages sometimes even use alternative methodological approaches, e.g.,…

The unknown parameters of simulation models often need to be calibrated using observed data. When simulation models are expensive, calibration is usually carried out with an emulator. The effectiveness of the calibration process can be…

Computation · Statistics 2024-12-03 Özge Sürer , Stefan M. Wild

This paper investigates co-scheduling algorithms for processing a set of parallel applications. Instead of executing each application one by one, using a maximum degree of parallelism for each of them, we aim at scheduling several…

Data Structures and Algorithms · Computer Science 2013-05-01 Guillaume Aupy , Manu Shantharam , Anne Benoit , Yves Robert , Padma Raghavan

Future experiments in high-energy physics will pose stringent requirements to computing, in particular to real-time data processing. As an example, the CBM experiment at FAIR Germany intends to perform online data selection exclusively in…

Computational Physics · Physics 2020-02-06 V. Singhal , S. Chattopadhyay , V. Friese

High-Level Synthesis (HLS) is emerging as a mainstream design methodology, allowing software designers to enjoy the benefits of a hardware implementation. Significant work has led to effective compilers that produce high-quality hardware…

Software Engineering · Computer Science 2015-08-28 Jeffrey Goeders , Steven J. E. Wilton

We present MCdevelop, a universal computer framework for developing and exploiting the wide class of Stochastic Simulations (SS) software. This powerful universal SS software development tool has been derived from a series of scientific…

Computational Physics · Physics 2011-01-17 M. Slawinska , S. Jadach

In this paper we describe HeSP, a complete simulation framework to study a general task scheduling-partitioning problem on heterogeneous architectures, which treats recursive task partitioning and scheduling decisions on equal footing.…

Distributed, Parallel, and Cluster Computing · Computer Science 2016-02-18 Anton Rey , Francisco D. Igual , Manuel Prieto-Matías

We describe a methodology for designing efficient parallel and distributed scientific software. This methodology utilizes sequences of mechanizable algebra--based optimizing transformations. In this study, we apply our methodology to the…

Software Engineering · Computer Science 2008-11-18 Harry B. Hunt , Lenore R. Mullin , Daniel J. Rosenkrantz , James E. Raynolds

Research in software engineering is essential for improving development practices, leading to reliable and secure software. Leveraging the principles of quantum physics, quantum computing has emerged as a new computational paradigm that…

Software Engineering · Computer Science 2025-02-14 Ashis Kumar Mandal , Md Nadim , Chanchal K. Roy , Banani Roy , Kevin A. Schneider

The reproducibility of scientific experiment is vital for the advancement of disciplines based on previous work. To achieve this goal, many researchers focus on complex methodology and self-invented tools which have difficulty in practical…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-12-29 Feng Zhao , Xingzhi Niu , Shao-Lun Huang , Lin Zhang

Software developers must adapt to keep up with the changing capabilities of platforms so that they can utilize the power of High- Performance Computers (HPC), including exascale systems. OpenMP, a directive-based parallel programming model,…

High-performance scientific applications require more and more compute power. The concurrent use of multiple distributed compute resources is vital for making scientific progress. The resulting distributed system, a so-called Jungle…

Distributed, Parallel, and Cluster Computing · Computer Science 2012-03-05 Niels Drost , Jason Maassen , Maarten A. J. van Meersbergen , Henri E. Bal , F. Inti Pelupessy , Simon Portegies Zwart , Michael Kliphuis , Henk A. Dijkstra , Frank J. Seinstra

Parallel programming remains a daunting challenge, from the struggle to express a parallel algorithm without cluttering the underlying synchronous logic, to describing which devices to employ in a calculation, to correctness. Over the…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-08-10 Patrick Diehl , Steven R. Brandt , Hartmut Kaiser

Quantum computing (QC) is no longer only a scientific interest but is rapidly becoming an industrially available technology that can potentially tackle the limitations of classical computing. Over the last few years, major technology giants…

Software Engineering · Computer Science 2022-11-28 Muhammad Azeem Akbar , Arif Ali Khan , Sajjad Mahmood , Saima Rafi

Software plays a central role in scientific discovery. Improving how we develop and use software for research can have both broad and deep impacts on a spectrum of challenges and opportunities society faces today. The emergence of Research…

Software Engineering · Computer Science 2022-11-17 Michael A. Heroux

Robust execution environments are important for addressing key challenges in quantum computing, such as application development, portability, and reproducibility, and help unlock the development of modular quantum programs, driving forward…

Quantum Physics · Physics 2025-09-26 Aleksander Wennersteen , Matthieu Moreau , Aurelien Nober , Mourad Beji

The increasing heterogeneity of high-performance computing (HPC) systems and the transition to exascale architectures require systematic and reproducible performance evaluation across diverse workloads. While continuous integration (CI)…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-03-24 Jayesh Badwaik , Mathis Bode , Michal Rajski , Andreas Herten