3 papers
cs.LG2026
Reinforcement Learning with LLM-Guided Action Spaces for Synthesizable Lead Optimization
Tao Li, Kaiyuan Hou, Tuan Vinh +3
Lead optimization in drug discovery requires improving therapeutic properties while ensuring that molecular modifications correspond to feasible synthetic routes. Existing approach…
cs.LG2026
Peeling Context from Cause for Molecular Property Prediction
Tao Li, Kaiyuan Hou, Tuan Vinh +2
Deep models are used for molecular property prediction, yet they are often difficult to interpret and may rely on spurious context rather than causal structure, which reduces relia…
q-bio.QM2026
Imaging-anchored Multiomics in Cardiovascular Disease: Integrating Cardiac Imaging, Bulk, Single-cell, and Spatial Transcriptomics
Minh H. N. Le, Tuan Vinh, Thanh-Huy Nguyen +7
Cardiovascular disease arises from interactions between inherited risk, molecular programmes, and tissue-scale remodelling that are observed clinically through imaging. Health syst…