Enhanced diffusion with metadynamics-like potentials can sometimes convergence slower than unbiased diffusion

Summary

Enhanced sampling of protein structure diffusion with metadynamics-like potentials can sometimes converge slower than unbiased diffusion (1).

Figures

Ref (1)

1.

Xie Y, Winkler L, Sun L, Lewis S, Foster AE, Luna JJ, et al. Enhanced Diffusion Sampling: Efficient Rare Event Sampling and Free Energy Calculation with Diffusion Models. 2026; Available from: https://arxiv.org/abs/2602.16634