论文标题

计算科学与工程的研究软件工程工作流程

A Research Software Engineering Workflow for Computational Science and Engineering

论文作者

Maric, Tomislav, Gläser, Dennis, Lehr, Jan-Patrick, Papagiannidis, Ioannis, Lambie, Benjamin, Bischof, Christian, Bothe, Dieter

论文摘要

大学计算科学与工程研究小组(CSE)通常缺乏专门的研究软件工程资金和人员,该研究软件工程(RSE)结合了最大化科学出版物数量的压力,将重点从可持续的研究软件开发和可复制结果中转移。在大学研究小组中,RSE在CSE中的忽视对科学输出产生了负面影响:研究数据(包括研究软件)与CSE出版物相关,无法找到,复制或重复使用,不同的想法不容易将不同的想法组合到新的想法中,并且必须经常重新提出发布的方法,以进一步研究。这使CSE的研究大大减慢了,导致了大量的时间损失,并导致公共资助。 我们为计算科学与工程(CSE)提出了一个解决这些挑战的RSE工作流程,以提高CSE研究成果的质量。我们的工作流程应用了适用于CSE的既定软件工程实践:软件测试,可视化和与报告/出版物和数据的软件的定期交联,这是由里程碑在科学出版物过程中的计时。该工作流程引入了最小的工作开销,对大学研究小组至关重要,并提供了与出版物相关的模块化和测试软件,这些软件很容易复制。我们从务实的研究人员的角度定义了研究软件质量:能够快速找到与已发表的研究思想相关的出版物,数据和软件,快速复制结果,理解或重复使用CSE方法,并最终通过新的研究思想扩展该方法。

University research groups in Computational Science and Engineering (CSE) generally lack dedicated funding and personnel for Research Software Engineering (RSE), which, combined with the pressure to maximize the number of scientific publications, shifts the focus away from sustainable research software development and reproducible results. The neglect of RSE in CSE at University research groups negatively impacts the scientific output: research data - including research software - related to a CSE publication cannot be found, reproduced, or re-used, different ideas are not combined easily into new ideas, and published methods must very often be re-implemented to be investigated further. This slows down CSE research significantly, resulting in considerable losses in time and, consequentially, public funding. We propose a RSE workflow for Computational Science and Engineering (CSE) that addresses these challenges, that improves the quality of research output in CSE. Our workflow applies established software engineering practices adapted for CSE: software testing, result visualization, and periodical cross-linking of software with reports/publications and data, timed by milestones in the scientific publication process. The workflow introduces minimal work overhead, crucial for university research groups, and delivers modular and tested software linked to publications whose results can easily be reproduced. We define research software quality from a perspective of a pragmatic researcher: the ability to quickly find the publication, data, and software related to a published research idea, quickly reproduce results, understand or re-use a CSE method, and finally extend the method with new research ideas.

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