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cs.LG2024
Iterated Energy-based Flow Matching for Sampling from Boltzmann Densities
Dongyeop Woo, Sungsoo Ahn
In this work, we consider the problem of training a generator from evaluations of energy functions or unnormalized densities. This is a fundamental problem in probabilistic inferen…
cs.LG2024★ 1 cited
Transition Path Sampling with Improved Off-Policy Training of Diffusion Path Samplers
Kiyoung Seong, Seonghyun Park, Seonghwan Kim +2
Understanding transition pathways between two meta-stable states of a molecular system is crucial to advance drug discovery and material design. However, unbiased molecular dynamic…