The materials design ontology

IF 3 3区计算机科学 Q2 COMPUTER SCIENCE, ARTIFICIAL INTELLIGENCE

Semantic Web Pub Date : 2023-06-20 DOI:10.3233/sw-233340

Patrick Lambrix, Rickard Armiento, Huanyu Li, Olaf Hartig, Mina Abd Nikooie Pour, Ying Li

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引用次数: 4

Abstract

In the materials design domain, much of the data from materials calculations is stored in different heterogeneous databases with different data and access models. Therefore, accessing and integrating data from different sources is challenging. As ontology-based access and integration alleviates these issues, in this paper we address data access and interoperability for computational materials databases by developing the Materials Design Ontology. This ontology is inspired by and guided by the OPTIMADE effort that aims to make materials databases interoperable and includes many of the data providers in computational materials science. In this paper, first, we describe the development and the content of the Materials Design Ontology. Then, we use a topic model-based approach to propose additional candidate concepts for the ontology. Finally, we show the use of the Materials Design Ontology by a proof-of-concept implementation of a data access and integration system for materials databases based on the ontology.11 This paper is an extension of (In The Semantic Web – ISWC 2020 – 19th International Semantic Web Conference, Proceedings, Part II (2000) 212–227 Springer) with results from (In ESWC Workshop on Domain Ontologies for Research Data Management in Industry Commons of Materials and Manufacturing 2021 1–11) and currently unpublished results regarding an application using the ontology.

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材料设计本体

在材料设计领域，许多材料计算数据存储在不同的异构数据库中，具有不同的数据和访问模型。因此，访问和集成来自不同来源的数据具有挑战性。基于本体的访问和集成缓解了这些问题，本文通过开发材料设计本体来解决计算材料数据库的数据访问和互操作性问题。该本体受到OPTIMADE工作的启发和指导，OPTIMADE旨在使材料数据库具有互操作性，并包括计算材料科学中的许多数据提供者。本文首先介绍了材料设计本体的发展和内容。然后，我们使用基于主题模型的方法为本体提出额外的候选概念。最后，我们通过一个基于本体的材料数据库数据访问和集成系统的概念验证实现展示了材料设计本体的使用本文是(In The Semantic Web - ISWC 2020 -第19届国际语义网会议，论文集，第二部分(2000)212-227 Springer)的扩展，其结果来自(In ESWC研讨会领域本体用于材料和制造行业共享的研究数据管理2021 1-11)和目前未发表的关于使用本体的应用的结果。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Semantic Web COMPUTER SCIENCE, ARTIFICIAL INTELLIGENCEC-COMPUTER SCIENCE, INFORMATION SYSTEMS

CiteScore

8.30

自引率

6.70%

发文量

期刊介绍： The journal Semantic Web – Interoperability, Usability, Applicability brings together researchers from various fields which share the vision and need for more effective and meaningful ways to share information across agents and services on the future internet and elsewhere. As such, Semantic Web technologies shall support the seamless integration of data, on-the-fly composition and interoperation of Web services, as well as more intuitive search engines. The semantics – or meaning – of information, however, cannot be defined without a context, which makes personalization, trust, and provenance core topics for Semantic Web research. New retrieval paradigms, user interfaces, and visualization techniques have to unleash the power of the Semantic Web and at the same time hide its complexity from the user. Based on this vision, the journal welcomes contributions ranging from theoretical and foundational research over methods and tools to descriptions of concrete ontologies and applications in all areas. We especially welcome papers which add a social, spatial, and temporal dimension to Semantic Web research, as well as application-oriented papers making use of formal semantics.