为科学工作流的可复制性和可追溯性构建容器化环境
Building Containerized Environments for Reproducibility and Traceability of Scientific Workflows
摘要：
科学家们依靠模拟来研究自然现象。相信模拟结果对于任何领域的科学发展都是至关重要的。建立信任的一种方法是通过在系统级注释执行来确保模拟的可再现性和可追溯性;通过生成通过模拟工作流程移动的数据的记录跟踪。在这项工作中，我们提出了一个系统级的解决方案，利用容器的内在特性（即，可移植性、隔离、封装和唯一标识符）。我们的解决方案包括一个容器化的环境，能够注释工作流，捕获出处元数据，并建立记录跟踪。我们根据四种不同的工作流程评估我们的环境，并从时间和空间方面衡量集装箱运输成本。我们的解决方案以可容忍的时间和空间开销构建，实现了透明和自动的出处元数据收集和访问，易于阅读的记录跟踪以及数据和元数据之间的紧密连接。
英文摘要：
Scientists rely on simulations to study natural phenomena. Trusting the simulation results is vital to develop sciences in any field. One approach to build trust is to ensure the reproducibility and traceability of the simulations through the annotation of executions at the system-level; by the generation of record trails of data moving through the simulation workflow. In this work, we present a system-level solution that leverages the intrinsic characteristics of containers (i.e., portability, isolation, encapsulation, and unique identifiers). Our solution consists of a containerized environment capable to annotate workflows, capture provenance metadata, and build record trails. We assess our environment on four different workflows and measure containerization costs in terms of time and space. Our solution, built with a tolerable time and space overhead, enables transparent and automatic provenance metadata collection and access, an easy-to-read record trail, and tight connections between data and metadata.
机构、总结、中文摘要均由AI分析而来，可能存在错误，请以论文正文为准。
