3 papers
cs.LG2026
Permutation-Symmetrized Diffusion for Unconditional Molecular Generation
Gyeonghoon Ko, Juho Lee
Permutation invariance is fundamental in molecular point-cloud generation, yet most diffusion models enforce it indirectly via permutation-equivariant networks on an ordered space.…
stat.ML2025
Multi-Marginal Schrödinger Bridge Matching
Byoungwoo Park, Juho Lee
Understanding the continuous evolution of populations from discrete temporal snapshots is a critical research challenge, particularly in fields like developmental biology and syste…
cs.LG2025
Bayesian E(3)-Equivariant Interatomic Potential with Iterative Restratification of Many-body Message Passing
Soohaeng Yoo Willow, Tae Hyeon Park, Gi Beom Sim +6
Machine learning potentials (MLPs) have become essential for large-scale atomistic simulations, enabling ab initio-level accuracy with computational efficiency. However, current ML…