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Score-based deterministic density sampling

Machine Learning 2025-10-21 v3 Probability Statistics Theory Statistics Theory

Abstract

We propose a deterministic sampling framework using Score-Based Transport Modeling for sampling an unnormalized target density π\pi given only its score logπ\nabla \log \pi. Our method approximates the Wasserstein gradient flow on KL(ftπ)\mathrm{KL}(f_t\|\pi) by learning the time-varying score logft\nabla \log f_t on the fly using score matching. While having the same marginal distribution as Langevin dynamics, our method produces smooth deterministic trajectories, resulting in monotone noise-free convergence. We prove that our method dissipates relative entropy at the same rate as the exact gradient flow, provided sufficient training. Numerical experiments validate our theoretical findings: our method converges at the optimal rate, has smooth trajectories, and is often more sample efficient than its stochastic counterpart. Experiments on high-dimensional image data show that our method produces high-quality generations in as few as 15 steps and exhibits natural exploratory behavior. The memory and runtime scale linearly in the sample size.

Keywords

Cite

@article{arxiv.2504.18130,
  title  = {Score-based deterministic density sampling},
  author = {Vasily Ilin and Peter Sushko and Jingwei Hu},
  journal= {arXiv preprint arXiv:2504.18130},
  year   = {2025}
}

Comments

13 pages, 2 tables, 11 figures. Key words: Deterministic sampling; score-based transport modeling; Wasserstein gradient flow; relative entropy; Fisher information; annealing; neural network; neural tangent kernel