Abstract Graph databases capture richly linked domain knowledge by integrating heterogeneous data and metadata into a unified representation. Here, we present the use of bespoke, interactive data graphics (bar charts, scatter plots, etc.) for visual exploration of a knowledge graph. By modeling a chart as a set of metadata that describes semantic context (SPARQL query) separately from visual context (Vega-Lite specification), we leverage the high-level, declarative nature of the SPARQL and Vega-Lite grammars to concisely specify web-based, interactive data graphics synchronized to a knowledge graph. Resources with dereferenceable URIs (uniform resource identifiers) can employ the hyperlink encoding channel or image marks in Vega-Lite to amplify the information content of a given data graphic, and published charts populate a browsable gallery of the database. We discuss design considerations that arise in relation to portability, persistence, and performance. Altogether, this pairing of SPARQL and Vega-Lite—demonstrated here in the domain of polymer nanocomposite materials science—offers an extensible approach to FAIR (findable, accessible, interoperable, reusable) scientific data visualization within a knowledge graph framework.
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NanoMine: A Knowledge Graph for Nanocomposite Materials Science, Lecture Notes in Computer Science, vol 12507, doi.org/10.1007/978-3-030-62466-8_10
Knowledge graphs can be used to help scientists integrate and explore their data in novel ways. NanoMine, built with the Whyis knowledge graph framework, integrates diverse data from over 1,700 polymer nanocomposite experiments. Polymer nanocomposites (polymer materials with nanometer-scale particles embedded in them) exhibit complex changes in their properties depending upon their composition or processing methods. Building an overall theory of how nanoparticles interact with the polymer they are embedded in therefore typically has to rely on an integrated view across hundreds of datasets. Because the NanoMine knowledge graph is able to integrate across many experiments, materials scientists can explore custom visualizations and, with minimal semantic training, produce custom visualizations of their own. NanoMine provides access to experimental results and their provenance in a linked data format that conforms to well-used semantic web ontologies and vocabularies (PROV-O, Schema.org, and the Semanticscience Integrated Ontology). We curated data described by an XML schema into an extensible knowledge graph format that enables users to more easily browse, filter, and visualize nanocomposite materials data. We evaluated NanoMine on the ability for material scientists to produce visualizations that help them explore and understand nanomaterials and assess the diversity of the integrated data. Additionally, NanoMine has been used by the materials science community to produce an integrated view of a journal special issue focusing on data sharing, demonstrating the advantages of sharing data in an interoperable manner.
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- PAR ID:
- 10300873
- Date Published:
- Journal Name:
- International Semantic Web Conference, ISBN: 978-3-030-62466-8
- Volume:
- 12507
- Format(s):
- Medium: X
- Sponsoring Org:
- National Science Foundation
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