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Stein Variational Gradient Descent as Gradient Flow

Neural Information Processing Systems

Stein variational gradient descent (SVGD) is a deterministic sampling algorithm that iteratively transports a set of particles to approximate given distributions, based on a gradient-based update constructed to optimally decrease the KL divergence within a function space. This paper develops the first theoretical analysis on SVGD. We establish that the empirical measures of the SVGD samples weakly converge to the target distribution, and show that the asymptotic behavior of SVGD is characterized by a nonlinear Fokker-Planck equation known as Vlasov equation in physics. We develop a geometric perspective that views SVGD as a gradient flow of the KL divergence functional under a new metric structure on the space of distributions induced by Stein operator.


Stein Variational Gradient Descent: A General Purpose Bayesian Inference Algorithm

Neural Information Processing Systems

We propose a general purpose variational inference algorithm that forms a natural counterpart of gradient descent for optimization. Our method iteratively transports a set of particles to match the target distribution, by applying a form of functional gradient descent that minimizes the KL divergence. Empirical studies are performed on various real world models and datasets, on which our method is competitive with existing state-of-the-art methods. The derivation of our method is based on a new theoretical result that connects the derivative of KL divergence under smooth transforms with Stein's identity and a recently proposed kernelized Stein discrepancy, which is of independent interest.


Adaptation to Intrinsic Dependence in Diffusion Language Models

Zhao, Yunxiao, Cai, Changxiao

arXiv.org Machine Learning

Diffusion language models (DLMs) have recently emerged as a promising alternative to autoregressive (AR) approaches, enabling parallel token generation beyond a rigid left-to-right order. Despite growing empirical success, the theoretical understanding of how unmasking schedules -- which specify the order and size of unmasked tokens during sampling -- affect generation quality remains limited. In this work, we introduce a distribution-agnostic unmasking schedule for DLMs that adapts to the (unknown) dependence structure of the target data distribution, without requiring any prior knowledge or hyperparameter tuning. In contrast to prior deterministic procedures that fix unmasking sizes, our method randomizes the number of tokens revealed at each iteration. We show that, for two specific parameter choices, the sampling convergence guarantees -- measured by Kullback-Leibler (KL) divergence -- scale as $\widetilde O(\mathsf{TC}/K)$ and $\widetilde O(\mathsf{DTC}/K)$ respectively. Here, $K$ is the number of iterations, and $\mathsf{TC}$ and $\mathsf{DTC}$ are the total correlation and dual total correlation of the target distribution, capturing the intrinsic dependence structure underlying the data. Importantly, our guarantees hold in the practically relevant parallel-sampling regime $K








Function Space Bayesian Pseudocoreset for Bayesian Neural Networks

Neural Information Processing Systems

A Bayesian pseudocoreset is a compact synthetic dataset summarizing essential information of a large-scale dataset and thus can be used as a proxy dataset for scalable Bayesian inference. Typically, a Bayesian pseudocoreset is constructed by minimizing a divergence measure between the posterior conditioning on the pseudocoreset and the posterior conditioning on the full dataset. However, evaluating the divergence can be challenging, particularly for the models like deep neural networks having high-dimensional parameters.