-         Projects on Methodology Development

• Language modeling for biomedical text, social network, and biomolecules (DNAs, RNAs, and proteins)
• Geometric deep learning for macromolecular structure analysis
• Causal learning for conterfactual predictions and its application to precision medicine
• Date efficiency machine learning (semi-supervised learning, meta-learning, etc.)
• Uncertainty quantification for out-of-distribution predictions
• Generative AI for phenotype-based inverse molecule design
• Graph mining on signed multilayer multiplex network
• Multi-objective reinforcement learning for drug design
• Multi-scale modeling of drug-target binding/unbinding kinetics using Molecular Dynamics simulation and machine learning
• End-to-end deep learning algorithms for predicting genome-scale drug-target interactions and drug phenotypic responses
• Reconstruction of high-resoulation personalized drug-target interaction, drug response, and disease-gene association networks through integrating multiple omics data

-         Projects on Translational Sciences

• Alzheimer's disease drug repurposing (in collaboration with Profs. Maria Figueiredo Pereira, Patrick Rockwell, and Peter Serrano at Hunter College, and Prof. Li Gan at Weill Cornell Medicine)
• Anti-cancer drug discovery with the focus on understudied novel targets (in collaboration with Prof. Hui Li at UVA, and Prof. Stephen Burley at Rutgers University)
• Aging rejuvenation target and biomarker discovery (in collaboration with Prof. Alicia Melendez at Queens College)
• Opioid Use Disorder drug discovery (in collaboration with Prof. Wayne Harding at Hunter College)
• Small molecule drug design targeting human microbiome (in collaboration with Prof. Philip Bourne at UVA)
• Discovery and development of annti-virulence therapies to combat pathogen drug resistance (in collaboration with Prof. Fiona Brinkman at SFU and Prof. David Perlin at Rutgers University)
• AI-powered Physiologically Based Pharmacokinetics (PBPK) modeling (in collaboration with Prof. Junmei Wang at University of Pittsburgh)