FES-FM applies reduced flow matching with a Hessian-derived prior to directly sample free energy surfaces in collective variable space, claiming lower computational cost and higher accuracy per unit time than standard methods.
The 1-Wasserstein distance is computed using 10,000 points sampled from the generated distribution and 10,000 points sampled from the ground-truth distribution
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Free Energy Surface Sampling via Reduced Flow Matching
FES-FM applies reduced flow matching with a Hessian-derived prior to directly sample free energy surfaces in collective variable space, claiming lower computational cost and higher accuracy per unit time than standard methods.