2 papers
cs.LG2026
Rethinking Diffusion Models with Symmetries through Canonicalization with Applications to Molecular Graph Generation
Cai Zhou, Zijie Chen, Zian Li +7
Many generative tasks in chemistry and science involve distributions invariant to group symmetries (e.g., permutation and rotation). A common strategy enforces invariance and equiv…
cs.CL2025
Advancing biomolecular understanding and design following human instructions
Xiang Zhuang, Keyan Ding, Tianwen Lyu +9
Understanding and designing biomolecules, such as proteins and small molecules, is central to advancing drug discovery, synthetic biology and enzyme engineering. Recent breakthroug…