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从再现计算结果中学习:介绍三个原则和......

Learning from reproducing computational results: introducing three principles and the .

机构信息

University of Illinois at Urbana-Champaign, Urbana, IL, USA.

出版信息

Philos Trans A Math Phys Eng Sci. 2021 May 17;379(2197):20200069. doi: 10.1098/rsta.2020.0069. Epub 2021 Mar 29.

Abstract

We carry out efforts to reproduce computational results for seven published articles and identify barriers to computational reproducibility. We then derive three principles to guide the practice and dissemination of reproducible computational research: (i) Provide transparency regarding how computational results are produced; (ii) When writing and releasing research software, aim for ease of (re-)executability; (iii) Make any code upon which the results rely as deterministic as possible. We then exemplify these three principles with 12 specific guidelines for their implementation in practice. We illustrate the three principles of reproducible research with a series of vignettes from our experimental reproducibility work. We define a novel , a formalism that specifies a structured way to share computational research artifacts that implements the guidelines generated from our reproduction efforts to allow others to build, reproduce and extend computational science. We make our reproduction efforts in this paper publicly available as exemplar . This article is part of the theme issue 'Reliability and reproducibility in computational science: implementing verification, validation and uncertainty quantification '.

摘要

我们努力重现了七篇已发表文章中的计算结果,并确定了计算可重复性的障碍。然后,我们得出了三个原则来指导可重复计算研究的实践和传播:(i)提供有关如何生成计算结果的透明度;(ii)在编写和发布研究软件时,力求易于(重新)执行;(iii)使依赖结果的任何代码尽可能确定。然后,我们用 12 条具体准则来说明这三个原则在实践中的实施。我们用我们的实验可重复性工作中的一系列实例来说明可重复性研究的三个原则。我们定义了一种新的形式主义,它指定了一种结构化的方法来共享计算研究成果,该成果实现了从我们的再现工作中生成的指导方针,以允许其他人构建、再现和扩展计算科学。我们在本文中公开提供了我们的再现工作,作为范例。本文是“计算科学中的可靠性和可重复性:实施验证、验证和不确定性量化”主题问题的一部分。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f197/8059663/52c26a208596/rsta20200069f01.jpg

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