SciMind: A Multimodal Mixture-of-Experts Model for Advancing Pharmaceutical Sciences

Zhaoping Xiong, Xintao Fang, Haotian Chu, Xiaozhe Wan, Liwei Liu, Yameng Li, Wenkai Xiang, Mingyue Zheng


Abstract
Large language models (LLMs) have made substantial strides, but their use in reliably tackling issues within specialized domains, particularly in interdisciplinary areas like pharmaceutical sciences, is hindered by data heterogeneity, knowledge complexity, unique objectives, and a spectrum of constraint conditions. In this area, diverse modalities such as nucleic acids, proteins, molecular structures, and natural language are often involved. We designed a specialized token set and introduced a new Mixture-of-Experts (MoEs) pre-training and fine-tuning strategy to unify these modalities in one model. With this strategy, we’ve created a multi-modal mixture-of-experts foundational model for pharmaceutical sciences, named SciMind. This model has undergone extensive pre-training on publicly accessible datasets including nucleic acid sequences, protein sequences, molecular structure strings, and biomedical texts, and delivers good performance on biomedical text comprehension, promoter prediction, protein function prediction, molecular description, and molecular generation.
Anthology ID:
2024.langmol-1.8
Volume:
Proceedings of the 1st Workshop on Language + Molecules (L+M 2024)
Month:
August
Year:
2024
Address:
Bangkok, Thailand
Editors:
Carl Edwards, Qingyun Wang, Manling Li, Lawrence Zhao, Tom Hope, Heng Ji
Venues:
LangMol | WS
SIG:
Publisher:
Association for Computational Linguistics
Note:
Pages:
66–73
Language:
URL:
https://aclanthology.org/2024.langmol-1.8
DOI:
10.18653/v1/2024.langmol-1.8
Bibkey:
Cite (ACL):
Zhaoping Xiong, Xintao Fang, Haotian Chu, Xiaozhe Wan, Liwei Liu, Yameng Li, Wenkai Xiang, and Mingyue Zheng. 2024. SciMind: A Multimodal Mixture-of-Experts Model for Advancing Pharmaceutical Sciences. In Proceedings of the 1st Workshop on Language + Molecules (L+M 2024), pages 66–73, Bangkok, Thailand. Association for Computational Linguistics.
Cite (Informal):
SciMind: A Multimodal Mixture-of-Experts Model for Advancing Pharmaceutical Sciences (Xiong et al., LangMol-WS 2024)
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PDF:
https://aclanthology.org/2024.langmol-1.8.pdf