The representation of workflows and processes is essential in materials science engineering, where experimental and computational reproducibility depend on structured and semantically coherent process models. Although numerous ontologies have been developed for process modeling, they are often complex and challenging to reuse. Ontology Design Patterns (ODPs) offer modular and reusable modeling solutions to recurring problems; however, these patterns are frequently neither explicitly published nor documented in a manner accessible to domain experts. This study surveys ontologies relevant to scientific workflows and engineering process modeling and identifies implicit design patterns embedded within their structures. We evaluate the capacity of these ontologies to fulfill key requirements for process representation in materials science. Furthermore, we propose a baseline method for the automatic extraction of design patterns from existing ontologies and assess the approach against curated ground truth patterns. All resources associated with this work, including the extracted patterns and the extraction workflow, are made openly available in a public GitHub repository.
翻译:在材料科学与工程领域,工作流与流程的表示至关重要,因为实验与计算的可复现性依赖于结构化和语义一致的流程模型。尽管已有众多本体被开发用于流程建模,但它们通常较为复杂且难以复用。本体设计模式为反复出现的问题提供了模块化、可复用的建模解决方案;然而,这些模式往往既未明确发布,也未以领域专家易于理解的方式加以记录。本研究系统梳理了与科学工作流和工程流程建模相关的本体,并识别了其结构中隐含的设计模式。我们评估了这些本体满足材料科学流程表示关键需求的能力。此外,我们提出了一种从现有本体中自动提取设计模式的基线方法,并基于人工整理的基准模式对该方法进行了评估。本研究所涉及的所有资源,包括提取的模式及提取工作流,已在公共GitHub仓库中开源提供。