Generative Diffusion Models on Graphs: Methods and Applications

Generative Diffusion Models on Graphs: Methods and Applications

Chengyi Liu, Wenqi Fan, Yunqing Liu, Jiatong Li, Hang Li, Hui Liu, Jiliang Tang, Qing Li

Proceedings of the Thirty-Second International Joint Conference on Artificial Intelligence
Survey Track. Pages 6702-6711. https://doi.org/10.24963/ijcai.2023/751

Diffusion models, as a novel generative paradigm, have achieved remarkable success in various image generation tasks such as image inpainting, image-to-text translation, and video generation. Graph generation is a crucial computational task on graphs with numerous real-world applications. It aims to learn the distribution of given graphs and then generate new graphs. Given the great success of diffusion models in image generation, increasing efforts have been made to leverage these techniques to advance graph generation in recent years. In this paper, we first provide a comprehensive overview of generative diffusion models on graphs, In particular, we review representative algorithms for three variants of graph diffusion models, i.e., Score Matching with Langevin Dynamics (SMLD), Denoising Diffusion Probabilistic Model (DDPM), and Score-based Generative Model (SGM). Then, we summarize the major applications of generative diffusion models on graphs with a specific focus on molecule and protein modeling. Finally, we discuss promising directions in generative diffusion models on graph-structured data.
Keywords:
Survey: Data Mining
Survey: Machine Learning
Survey: Knowledge Representation and Reasoning