REACTCLASS: Cross-Modal Supervision for Subword-Guided Reactant Entity Classification

Xuan Wang, Vivian Hu, Minhao Jiang, Yu Zhang, Jinfeng Xiao, Danielle Cherrice Loving, Heng Ji, Martin Burke, Jiawei Han

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Abstract

We propose REACTCLASS that automatically maps the low-level concrete chemical entities into the high-level reactant groups without human effort for training data annotation. REACTCLASS is designed to take two special characteristics of the chemical molecules into consideration. The first characteristic is that each chemical molecule can be represented in two modalities: a chemical name in the text and a molecular structure in the graph. We propose to use cross-modal supervision to automatically create the training data for chemical name classification in the text via molecular structure matching in the graph. The second characteristic is that there is a knowledge-aware subword correlation between the surface names of the chemical entities to be classified and that of the reactant groups as class labels. We propose to train a classification model based on the subword cross-attention map between each chemical name and the corresponding reaction group. Experiments demonstrate that REACTCLASS is highly effective, achieving state-of-the-art performance in classifying the chemical names into human-defined reactant groups without requiring human effort for training data annotation.

Original languageEnglish (US)
Title of host publicationProceedings - 2022 IEEE International Conference on Bioinformatics and Biomedicine, BIBM 2022
EditorsDonald Adjeroh, Qi Long, Xinghua Shi, Fei Guo, Xiaohua Hu, Srinivas Aluru, Giri Narasimhan, Jianxin Wang, Mingon Kang, Ananda M. Mondal, Jin Liu
PublisherInstitute of Electrical and Electronics Engineers Inc.
Pages844-847
Number of pages4
ISBN (Electronic)9781665468190
DOIs
StatePublished - 2022
Event2022 IEEE International Conference on Bioinformatics and Biomedicine, BIBM 2022 - Las Vegas, United States
Duration: Dec 6 2022Dec 8 2022

Publication series

NameProceedings - 2022 IEEE International Conference on Bioinformatics and Biomedicine, BIBM 2022

Conference

Conference2022 IEEE International Conference on Bioinformatics and Biomedicine, BIBM 2022
Country/TerritoryUnited States
CityLas Vegas
Period12/6/2212/8/22

Keywords

  • Attention Map Representation
  • Chemistry Text Mining
  • Cross-Modal Supervised Learning

ASJC Scopus subject areas

  • Psychiatry and Mental health
  • Information Systems and Management
  • Biomedical Engineering
  • Medicine (miscellaneous)
  • Cardiology and Cardiovascular Medicine
  • Health Informatics

Fingerprint

Dive into the research topics of 'REACTCLASS: Cross-Modal Supervision for Subword-Guided Reactant Entity Classification'. Together they form a unique fingerprint.

Cite this