Comparing containerization-based approaches for reproducible computational modeling of environmental systems

Comparing containerization-based approaches for reproducible computational modeling of environmental systems
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比较基于容器化的环境系统可重复计算建模方法

DOI:
10.1016/j.envsoft.2023.105760
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发表时间:
2023
影响因子:
4.9
通讯作者:
Wang, Shaowen
Wang, Shaowen
中科院分区:
环境科学与生态学2区
文献类型:
--
作者:
Choi, Young-Don;Roy, Binata;Nguyen, Jared;Ahmad, Raza;Maghami, Iman;Nassar, Ayman;Li, Zhiyu;Castronova, Anthony M.;Malik, Tanu;Wang, Shaowen

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创建遵循可查找、可扩展、可互操作和可重用(FAIR)原则的在线数据存储库一直是研究界的一个重要焦点,以解决许多计算领域(包括环境建模)面临的再现性危机。然而,较少的工作集中在另一个再现性挑战上:捕获再现复杂建模工作流程所需的建模软件和计算环境。集装箱化技术为满足这一需求提供了机会,并且越来越多的战略正在提出,利用集装箱化来提高环境建模的可重复性。本研究比较了十个这样的方法使用水文模型应用程序作为案例研究。对于每种方法,我们使用定量和定性指标来比较不同的策略。根据结果,我们讨论了环境建模中容器化的挑战和机遇,并就何时以及如何应用不同的基于容器化的策略,在研究和教育用例中推荐最佳实践。
Creating online data repositories that follow Findable, Accessible, Interoperable, and Reusable (FAIR) principles has been a significant focus in the research community to address the reproducibility crisis facing many computational fields, including environmental modeling. However, less work has focused on another reproducibility challenge: capturing modeling software and computational environments needed to reproduce complex modeling workflows. Containerization technology offers an opportunity to address this need, and there are a growing number of strategies being put forth that leverage containerization to improve the reproducibility of environmental modeling. This research compares ten such approaches using a hydrologic model application as a case study. For each approach, we use both quantitative and qualitative metrics for comparing the different strategies. Based on the results, we discuss challenges and opportunities for containerization in environmental modeling and recommend best practices across both research and educational use cases for when and how to apply the different containerization-based strategies.
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