arXiv Machine Learning

SESaMo: Symmetry-Enforcing Stochastic Modulation for Normalizing Flows

arXiv:2505. 19619v3 Announce Type: replace Abstract: Deep generative models have recently garnered significant attention across various fields, from physics to chemistry, where sampling from unnormalized Boltzmann-like distributions represents a fundamental challenge.

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Autoregressive Boltzmann Generators

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 model with exact likelihoods and an importance sampling correction.