arXiv:2409.00374cs.LG2024-09

解析图上扩散模型的共性机制,揭示噪声与采样对性能的影响

Towards understanding Diffusion Models (on Graphs)

  • 通过对比不同方法发现,多种扩散模型本质趋向相同数学形式
  • 噪声在生成过程中起关键作用,采样策略显著影响结果质量
  • 神经网络只需中等复杂度即可实现较好性能,适合图学习场景

扩散模型从多个理论与方法视角发展而来,各自提供了对内在原理的独特见解。本文综述了最主流的方法,指出看似不同的技术实则收敛于相同的数学框架。尽管最终目标是理解图上的扩散模型,我们首先在更简单的设置下进行实验以建立基础认知。通过实证研究不同扩散与采样技术,探讨三个核心问题:(1) 噪声在模型中扮演何种角色?(2) 采样方法的选择对结果有多大的影响?(3) 神经网络究竟在近似什么函数?高复杂度是否必要?研究结果旨在深化对扩散模型的理解,并推动其在图机器学习中的应用。

原文摘要 · Abstract (English)

Diffusion models have emerged from various theoretical and methodological perspectives, each offering unique insights into their underlying principles. In this work, we provide an overview of the most prominent approaches, drawing attention to their striking analogies -- namely, how seemingly diverse methodologies converge to a similar mathematical formulation of the core problem. While our ultimate goal is to understand these models in the context of graphs, we begin by conducting experiments in a simpler setting to build foundational insights. Through an empirical investigation of different diffusion and sampling techniques, we explore three critical questions: (1) What role does noise play in these models? (2) How significantly does the choice of the sampling method affect outcomes? (3) What function is the neural network approximating, and is high complexity necessary for optimal performance? Our findings aim to enhance the understanding of diffusion models and in the long run their application in graph machine learning.

扩散模型图学习机制分析

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