arXiv:2505.07825stat.MLcs.LG2025-05被引 1

用扩散模型分治多模态分布采样,提升高维复杂分布的采样效率。

Diffusion-based supervised learning of generative models for efficient sampling of multimodal distributions

  • 先找多模态极值点,再用分类器划分各模式空间。
  • 对每个模式训练扩散生成模型,支持高效采样。
  • 适合处理高维、分离明显的多模态贝叶斯逆问题。

我们提出一种混合生成模型,用于高效采样高维多模态概率分布,以支持贝叶斯推断。传统蒙特卡洛方法(如Metropolis-Hastings和Langevin Monte Carlo)在高维单峰分布中表现良好,但在多模态分布中难以正确体现各模态的比例,尤其当模态间分离明显时。为解决此问题,采用分治策略:首先在先验域内均匀初始化,通过最小化能量函数识别所有模态;接着训练分类器将定义域划分为对应各模态的区域;然后在每个模态的支持域内,基于扩散模型训练生成模型;最后使用桥接采样估计归一化常数,从而直接调节模态间的比例。数值实验表明,该框架可有效处理高达100维、模态形状各异的多模态分布,并成功应用于偏微分方程的贝叶斯逆问题。

原文摘要 · Abstract (English)

We propose a hybrid generative model for efficient sampling of high-dimensional, multimodal probability distributions for Bayesian inference. Traditional Monte Carlo methods, such as the Metropolis-Hastings and Langevin Monte Carlo sampling methods, are effective for sampling from single-mode distributions in high-dimensional spaces. However, these methods struggle to produce samples with the correct proportions for each mode in multimodal distributions, especially for distributions with well separated modes. To address the challenges posed by multimodality, we adopt a divide-and-conquer strategy. We start by minimizing the energy function with initial guesses uniformly distributed within the prior domain to identify all the modes of the energy function. Then, we train a classifier to segment the domain corresponding to each mode. After the domain decomposition, we train a diffusion-model-assisted generative model for each identified mode within its support. Once each mode is characterized, we employ bridge sampling to estimate the normalizing constant, allowing us to directly adjust the ratios between the modes. Our numerical examples demonstrate that the proposed framework can effectively handle multimodal distributions with varying mode shapes in up to 100 dimensions. An application to Bayesian inverse problem for partial differential equations is also provided.

多模态采样扩散模型贝叶斯推断高维分布

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