Research Interests

Interdisciplinary studies of artificial intelligence and science (AI for Science), including bioinformatics, medical image analysis, cheminformatics, and the design of new materials.

Research Topics

  • Biological Language Modeling: Representation learning for biological sequence and structure information to predict function and interaction of biomacromolecules.
  • Biomedical image understanding: Semi-supervised and multi-modal learning for pattern recognition and segmentation of biomedical images, with applications to biomarker identification and disease outcome prediction.
  • AI for Chemistry: Joint modeling of molecular SMILES sequences and spatial structures for reaction outcome prediction and retrosynthesis.
  • AI for Materials: Developing new descriptors for elements and alloys to design materials with enhanced properties.

News

2024

DateNews
May 7, 2024Our proposed workshop, "Large Foundation Models for Multi-Modal Learning in Bioinformatics and Biomedicine Informatics," has been officially accepted for inclusion in BIBM'2024. We warmly invite researchers, academics, and industry professionals to contribution original works to our workshop!
Apr 17, 2024Yuyang's work ClusterDrop for addressing over-smoothing issue in GNNs is accepted by IJCAI 2024. Congratulations!
Apr 15, 2024Our GaCaMML paper is accepted by Artificial Intelligence in Medicine. Congratulations, Yuzhang and Guoshuai!
Mar 29, 2024Zebei, Guoshuai, Kuo, and Jingyao completed their Computer Science MS degree. Congratulations!
Feb 25, 2024Runhan's work RMVP for large-scale prepretraining of chemical reactions is published in Journal of Cheminformatics. Congratulations!
Feb 23, 2024Our CGMega paper is accepted by Nature Communications. Congratulations, Zebei!
Feb 22, 2024Our collaborative work CircSite on predicting circRNA-protein binding is published in Computers in Biology and Medicine. Congratulations!
Feb 10, 2024Guoshuai's work for designing new Al-Zn-Mg-Cu-Zr-Hf alloy is published in Materials Today Communications. Congratulations!