$\text{GSF-}χ$: Global Stereochemical Fields for Chiral Graph Transformers
Enantiomers share atoms, bonds, and pairwise distances yet can behave differently in chiral environments, so molecular encoders must respect atom relabelings and proper rotations without becoming blind to reflection. We introduce GSF-$χ$, a graph transformer in which stereogenic units modulate all pairwise interactions rather than single out one atom as special. Each central or axial stereogenic unit creates a reflection-even phase field over all atoms, a handedness pseudoscalar $χ$ sets the direction of a relative rotation on latent query--key blocks, giving a \textbf{Chiral-RoPE} that reflection inverts rather than leaves fixed. A $C_2$ projection separates mirror-even ECD peak counts a...
| Authors | Jiaqing Xie, Yuxin Wang, Xipeng Qiu |
|---|---|
| Primary category | cs.LG |
| Published | 11 September 2026 |
| Last updated at source | 11 September 2026 |
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