Sampling Boltzmann distributions via normalizing flow approximation of transport maps

ArXi:2603.14258v1 Announce Type: new In a celebrated paper \cite{noe2019boltzmann}, No\'e, Olsson, K\"ohler and Wu Numerical simulations for a simple model system and for the alanine dipeptide molecule confirm that the true and generated distributions are close in the Wasserstein distance. Moreover we observe that the RealNVP architecture does not just successfully capture the equilibrium Boltzmann distribution but also the metastable dynamics.