用本体设计模式提升材料科学流程建模的可复用性
Semantic Representation of Processes with Ontology Design Patterns
- 从现有本体中自动提取隐含的设计模式
- 验证了多个本体在材料科学流程建模中的有效性
- 开源工具链助力领域专家快速复用模式
流程与工作流的表示在材料科学工程中至关重要，实验与计算的可复现性依赖于结构化且语义一致的过程模型。尽管已有大量用于过程建模的本体，但其往往复杂难用。本体设计模式（ODPs）提供了模块化、可重用的解决方案，但这些模式常未被显式发布或以领域专家可访问的方式记录。本研究调查了与科学工作流及工程过程建模相关的本体，识别出其中嵌入的隐含设计模式。我们评估了这些本体在满足材料科学过程表示关键需求方面的表现，并提出一种自动提取设计模式的基准方法，通过与人工标注的基准模式对比进行验证。所有相关资源，包括提取出的模式和提取流程，均已公开在公共GitHub仓库中。
原文摘要 · Abstract (English)
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.
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