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One-Step Sampler for Boltzmann Distributions via Drifting

arXiv cs.LG / 3/19/2026

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Key Points

  • The paper introduces a drifting-based framework to amortize Boltzmann-distribution sampling by learning a one-step neural generator that moves samples toward the target distribution.
  • It handles targets specified up to an unknown normalization constant by deriving a practical drift from a smoothed energy and using a local importance-sampling mean-shift estimator plus a curvature-corrected second-order approximation.
  • Training uses a mini-batch Gaussian mean-shift estimate of the sampler-side smoothed score and yields a simple stop-gradient objective for stable one-step training.
  • Empirical results on four-mode Gaussian-mixture Boltzmann targets, as well as double-well and banana geometries, demonstrate accurate mean/covariance and low MMD, supporting drifting as an effective way to replace iterative sampling with a single forward pass.

Abstract

We present a drifting-based framework for amortized sampling of Boltzmann distributions defined by energy functions. The method trains a one-step neural generator by projecting samples along a Gaussian-smoothed score field from the current model distribution toward the target Boltzmann distribution. For targets specified only up to an unknown normalization constant, we derive a practical target-side drift from a smoothed energy and use two estimators: a local importance-sampling mean-shift estimator and a second-order curvature-corrected approximation. Combined with a mini-batch Gaussian mean-shift estimate of the sampler-side smoothed score, this yields a simple stop-gradient objective for stable one-step training. On a four-mode Gaussian-mixture Boltzmann target, our sampler achieves mean error 0.0754, covariance error 0.0425, and RBF MMD 0.0020. Additional double-well and banana targets show that the same formulation also handles nonconvex and curved low-energy geometries. Overall, the results support drifting as an effective way to amortize iterative sampling from Boltzmann distributions into a single forward pass at test time.