How do users design scientific workflows? The Case of Snakemake

Sebastian Pohl, Nourhan Elfaramawy, Kedi Cao, Birte Kehr, Matthias Weidlich
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Abstract

Scientific workflows automate the analysis of large-scale scientific data, fostering the reuse of data processing operators as well as the reproducibility and traceability of analysis results. In exploratory research, however, workflows are continuously adapted, utilizing a wide range of tools and software libraries, to test scientific hypotheses. Script-based workflow engines cater to the required flexibility through direct integration of programming primitives but lack abstractions for interactive exploration of the workflow design by a user during workflow execution. To derive requirements for such interactive workflows, we conduct an empirical study on the use of Snakemake, a popular Python-based workflow engine. Based on workflows collected from 1602 GitHub repositories, we present insights on common structures of Snakemake workflows, as well as the language features typically adopted in their specification.
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用户如何设计科学的工作流?《造蛇案
科学工作流程自动化大规模科学数据的分析,促进数据处理操作符的重用以及分析结果的可重复性和可追溯性。然而,在探索性研究中,工作流程不断调整,利用广泛的工具和软件库来测试科学假设。基于脚本的工作流引擎通过直接集成编程原语来满足所需的灵活性,但在工作流执行过程中,用户缺乏对工作流设计进行交互式探索的抽象。为了推导出这种交互式工作流的需求,我们对流行的基于python的工作流引擎snakemake的使用进行了实证研究。基于从1602个GitHub存储库中收集的工作流,我们展示了对蛇形工作流的常见结构的见解,以及它们规范中通常采用的语言特性。
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