arxivcs.LGcs.AI2026-06-25
Autoregressive Boltzmann Generators
Danyal Rehman, Charlie B. Tan, Yoshua Bengio, Avishek Joey Bose, Alexander Tong
Efficient sampling of molecular systems at thermodynamic equilibrium is a hallmark challenge in statistical physics. This challenge has driven the development of Boltzmann Generators (BGs), which allow rapid generation of uncorrelated equilibrium samples by combining a generative…