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cs.LG2026
Multi-level Self-supervised Pretraining on Compositional Hierarchical Graph for Molecular Property Prediction
Xiayu Liu, Zhengyi Lu, Hou-biao Li
Self-supervised pretraining on molecular graphs has emerged as a promising approach for molecular property prediction, yet most existing methods operate at a single structural gran…
cs.LG2026
Local-Global Multimodal Contrastive Learning for Molecular Property Prediction
Xiayu Liu, Zhengyi Lu, Yunhong Liao +2
Accurate molecular property prediction requires integrating complementary information from molecular structure and chemical semantics. In this work, we propose LGM-CL, a local-glob…