Rethinking Diffusion Models with Symmetries through Canonicalization with Applications to Molecular Graph Generation.

Sun, 01 Feb 2026 00:00:00 +0100

Cai Zhou, Zijie Chen, Zian Li, Jike Wang, Kaiyi Jiang, Pan Li, Rose Yu, Muhan Zhang, Stephen Bates, Tommi S. Jaakkola:
Rethinking Diffusion Models with Symmetries through Canonicalization with Applications to Molecular Graph Generation. CoRR abs/2602.15022 (2026)