Graffe: Graph Representation Learning via Diffusion Probabilistic Models

Fuente: arXiv
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Autori principali: Chen, Dingshuo, Xue, Shuchen, Chen, Liuji, Wang, Yingheng, Liu, Qiang, Wu, Shu, Ma, Zhi-Ming, Wang, Liang
Natura: Preprint
Pubblicazione: 2025
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author Chen, Dingshuo
Xue, Shuchen
Chen, Liuji
Wang, Yingheng
Liu, Qiang
Wu, Shu
Ma, Zhi-Ming
Wang, Liang
author_facet Chen, Dingshuo
Xue, Shuchen
Chen, Liuji
Wang, Yingheng
Liu, Qiang
Wu, Shu
Ma, Zhi-Ming
Wang, Liang
contents Diffusion probabilistic models (DPMs), widely recognized for their potential to generate high-quality samples, tend to go unnoticed in representation learning. While recent progress has highlighted their potential for capturing visual semantics, adapting DPMs to graph representation learning remains in its infancy. In this paper, we introduce Graffe, a self-supervised diffusion model proposed for graph representation learning. It features a graph encoder that distills a source graph into a compact representation, which, in turn, serves as the condition to guide the denoising process of the diffusion decoder. To evaluate the effectiveness of our model, we first explore the theoretical foundations of applying diffusion models to representation learning, proving that the denoising objective implicitly maximizes the conditional mutual information between data and its representation. Specifically, we prove that the negative logarithm of the denoising score matching loss is a tractable lower bound for the conditional mutual information. Empirically, we conduct a series of case studies to validate our theoretical insights. In addition, Graffe delivers competitive results under the linear probing setting on node and graph classification tasks, achieving state-of-the-art performance on 9 of the 11 real-world datasets. These findings indicate that powerful generative models, especially diffusion models, serve as an effective tool for graph representation learning.
format Preprint
id arxiv_https___arxiv_org_abs_2505_04956
institution arXiv
publishDate 2025
record_format arxiv
spellingShingle Graffe: Graph Representation Learning via Diffusion Probabilistic Models
Chen, Dingshuo
Xue, Shuchen
Chen, Liuji
Wang, Yingheng
Liu, Qiang
Wu, Shu
Ma, Zhi-Ming
Wang, Liang
Machine Learning
Artificial Intelligence
Diffusion probabilistic models (DPMs), widely recognized for their potential to generate high-quality samples, tend to go unnoticed in representation learning. While recent progress has highlighted their potential for capturing visual semantics, adapting DPMs to graph representation learning remains in its infancy. In this paper, we introduce Graffe, a self-supervised diffusion model proposed for graph representation learning. It features a graph encoder that distills a source graph into a compact representation, which, in turn, serves as the condition to guide the denoising process of the diffusion decoder. To evaluate the effectiveness of our model, we first explore the theoretical foundations of applying diffusion models to representation learning, proving that the denoising objective implicitly maximizes the conditional mutual information between data and its representation. Specifically, we prove that the negative logarithm of the denoising score matching loss is a tractable lower bound for the conditional mutual information. Empirically, we conduct a series of case studies to validate our theoretical insights. In addition, Graffe delivers competitive results under the linear probing setting on node and graph classification tasks, achieving state-of-the-art performance on 9 of the 11 real-world datasets. These findings indicate that powerful generative models, especially diffusion models, serve as an effective tool for graph representation learning.
title Graffe: Graph Representation Learning via Diffusion Probabilistic Models
topic Machine Learning
Artificial Intelligence
url https://arxiv.org/abs/2505.04956