3 papers
cs.LG2026
GraphSculptor: Sculpting Pre-training Coreset for Graph Self-supervised Learning
Chuang Liu, Zelin Yao, Xueqi Ma +4
Graph self-supervised learning typically relies on large-scale unlabeled datasets, heavily inflating computational costs. However, empirical evidence suggests that these datasets c…
cs.LG2025
BSL: A Unified and Generalizable Multitask Learning Platform for Virtual Drug Discovery from Design to Synthesis
Kun Li, Zhennan Wu, Yida Xiong +8
Drug discovery is of great social significance in safeguarding human health, prolonging life, and addressing the challenges of major diseases. In recent years, artificial intellige…
cs.LG2025
Knowledge-aware contrastive heterogeneous molecular graph learning
Mukun Chen, Jia Wu, Shirui Pan +4
Molecular representation learning is pivotal in predicting molecular properties and advancing drug design. Traditional methodologies, which predominantly rely on homogeneous graph…