Paper: Autoregressive Boltzmann Generators
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Problem
Generating samples from molecular systems at thermodynamic equilibrium is computationally expensive and represents a significant hurdle in statistical physics. Current methods, known as Boltzmann Generators (BGs), attempt to speed up this process by combining generative models with precise likelihood calculations and importance sampling. However, existing BGs largely rely on normalizing flows, which have limitations – either expressing limited complexity or demanding computationally intensive operations.




