• AO-8-33039-33057

Marie and BERT ─ A Knowledge Graph Embedding Based Question Answering System for Chemistry

Authors: Xiaochi Zhou, Shaocong Zhang, Mehal Agarwal, Jethro Akroyd, Sebastian Mosbach, and Markus Kraft*

Reference: ACS Omega 8(36), 33039-33057, (2023)

  • A novel design of a QA system that operates on top of multiple embedding spaces which utilize different embedding methods.
  • An algorithm to efficiently derive implicit multi-hop relations within deep ontologies.
  • A novel embedding method combining TransR model with joint numerical embedding.

Graphical abstract This paper presents a novel knowledge graph question answering (KGQA) system for chemistry, which is implemented on hybrid knowledge graph embeddings, aiming to provide fact-oriented information retrieval for chemistry-related research and industrial applications. Unlike other existing designs, the system operates on multiple embedding spaces, which use various embedding methods and queries the embedding spaces in parallel. With the answers returned from multiple embedding spaces, the system leverages a score alignment model to adjust the answer scores and rerank the answers. Further, the system implements an algorithm to derive implicit multihop relations to handle the complexities of deep ontologies and improve multihop question answering. The system also implements a BERT-based bidirectional entity-linking model to enhance the robustness and accuracy of the entity-linking module. The system uses a joint numerical embedding model to efficiently handle numerical filtering questions. Further, it can invoke semantic agents to perform dynamic calculations autonomously. Finally, the KGQA system handles numerous chemical reaction mechanisms using semantic parsing supported by a Linked Data Fragment server. This paper evaluates the accuracy of each module within the KGQA system with a chemistry question data set.

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*Corresponding author:
Telephone: +44 (0)1223 762784 (Dept) 769010 (CHU)
Address: Department of Chemical Engineering and Biotechnology
University of Cambridge
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