用离散扩散模型学习图数据表示,提升生成与表征能力。
Graph Representation Learning with Diffusion Generative Models
- 构建基于自编码器的离散扩散模型,逐步去噪生成图结构。
- 在多个图数据集上实现优于基线的节点分类性能。
- 适合对图生成和表示学习感兴趣的研究者使用。
扩散模型在图像、视频等数据模态上已展现出卓越的生成能力,其渐进式去噪过程能有效逼近复杂数据分布。与VAE、GAN等传统生成方法不同,扩散模型在生成过程中同时具备提取有意义表示的能力。然而,由于图数据具有离散特性,其在图结构数据上的应用仍不充分,主要受限于连续扩散过程难以直接适配离散图结构。本文提出一种基于自编码器框架的离散扩散模型,通过训练实现有效的图自动编码与表征学习。我们从编码器输出与解码器初始时间步隐藏状态的组合中提取图表示。实验表明,该方法在多个图数据集上可实现优异的节点分类表现,验证了离散扩散模型在图表示学习中的潜力。代码开源于 https://github.com/DanielMitiku/Graph-Representation-Learning-with-Diffusion-Generative-Models。
原文摘要 · Abstract (English)
Diffusion models have established themselves as state-of-the-art generative models across various data modalities, including images and videos, due to their ability to accurately approximate complex data distributions. Unlike traditional generative approaches such as VAEs and GANs, diffusion models employ a progressive denoising process that transforms noise into meaningful data over multiple iterative steps. This gradual approach enhances their expressiveness and generation quality. Not only that, diffusion models have also been shown to extract meaningful representations from data while learning to generate samples. Despite their success, the application of diffusion models to graph-structured data remains relatively unexplored, primarily due to the discrete nature of graphs, which necessitates discrete diffusion processes distinct from the continuous methods used in other domains. In this work, we leverage the representational capabilities of diffusion models to learn meaningful embeddings for graph data. By training a discrete diffusion model within an autoencoder framework, we enable both effective autoencoding and representation learning tailored to the unique characteristics of graph-structured data. We extract the representation from the combination of the encoder's output and the decoder's first time step hidden embedding. Our approach demonstrates the potential of discrete diffusion models to be used for graph representation learning. The code can be found at https://github.com/DanielMitiku/Graph-Representation-Learning-with-Diffusion-Generative-Models
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