自适应选择核函数,让粒子推断更准更快
Adaptive Kernel Selection for Stein Variational Gradient Descent
- 用KSD梯度优化核带宽,动态调整核参数
- 在多个任务中优于传统中位数启发式方法
- 适合高维贝叶斯推断,尤其对核敏感的场景
贝叶斯推断的核心挑战是高效近似后验分布。斯坦因变分梯度下降(SVGD)通过粒子迁移来逼近目标分布,其动力学依赖再生核希尔伯特空间(RKHS),对核函数选择极为敏感,直接影响收敛速度与近似质量。常用的中位数启发式虽简单,但缺乏灵活性,尤其在高维情形下表现不佳。本文提出一种在抽象核族上自适应选择核参数的新策略。基于最近关于核化斯坦因差异(KSD)的收敛分析,我们发现通过最大化KSD优化核参数可提升性能。由此提出自适应SVGD(Ad-SVGD),交替执行粒子更新与基于KSD梯度上升的核带宽调优。我们提供简化理论分析,将现有固定核下最小化KSD的结果扩展至自适应设定,证明了在核类中最大KSD的收敛性质。实验结果进一步验证该思路:Ad-SVGD在多种任务中持续优于标准启发式方法。
原文摘要 · Abstract (English)
A central challenge in Bayesian inference is efficiently approximating posterior distributions. Stein Variational Gradient Descent (SVGD) is a popular variational inference method which transports a set of particles to approximate a target distribution. The SVGD dynamics are governed by a reproducing kernel Hilbert space (RKHS) and are highly sensitive to the choice of the kernel function, which directly influences both convergence and approximation quality. The commonly used median heuristic offers a simple approach for setting kernel bandwidths but lacks flexibility and often performs poorly, particularly in high-dimensional settings. In this work, we propose an alternative strategy for adaptively choosing kernel parameters over an abstract family of kernels. Recent convergence analyses based on the kernelized Stein discrepancy (KSD) suggest that optimizing the kernel parameters by maximizing the KSD can improve performance. Building on this insight, we introduce Adaptive SVGD (Ad-SVGD), a method that alternates between updating the particles via SVGD and adaptively tuning kernel bandwidths through gradient ascent on the KSD. We provide a simplified theoretical analysis that extends existing results on minimizing the KSD for fixed kernels to our adaptive setting, showing convergence properties for the maximal KSD over our kernel class. Our empirical results further support this intuition: Ad-SVGD consistently outperforms standard heuristics in a variety of tasks.
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