AI RESEARCH

BiScale-GTR: Fragment-Aware Graph Transformers for Multi-Scale Molecular Representation Learning

arXiv CS.LG

ArXi:2604.06336v1 Announce Type: new Graph Transformers have recently attracted attention for molecular property prediction by combining the inductive biases of graph neural networks (GNNs) with the global receptive field of Transformers. However, many existing hybrid architectures remain GNN-dominated, causing the resulting representations to remain heavily shaped by local message passing. Moreover, most existing methods operate at only a single structural granularity, limiting their ability to capture molecular patterns that span multiple molecular scales. We