Topology-aware Graph Diffusion Model with Persistent Homology

Joonhyuk Park, Donghyun Lee, Yujee Song, Guorong Wu, Won Hwa Kim

Keywords: Graph Generation, Diffusion, Topology, Brain Network

TL;DR: We propose a diffusion-based topology-aware graph generation method that aims to closely resemble the structural characteristics of the original graph by leveraging persistent homology from topological data analysis (TDA).

Abstract: Generating realistic graphs faces challenges in estimating accurate distribution of graphs in an embedding space while preserving structural characteristics. However, existing graph generation methods primarily focus on approximating the joint distribution of nodes and edges, often overlooking topological properties such as connected components and loops, hindering accurate representation of global structures. To address this issue, we propose a Topology-Aware diffusion-based Graph Generation (TAGG), which aims to sample synthetic graphs that closely resemble the structural characteristics of the original graph based on persistent homology. Specifically, we suggest two core components: 1) Persistence Diagram Matching (PDM) loss which ensures high topological fidelity of generated graphs, and 2) topology-aware attention module (TAM) which induces the denoising network to capture the homological characteristics of the original graphs. Extensive experiments on conventional graph benchmarks demonstrate the effectiveness of our approach demonstrating high generation performance across various metrics, while achieving closer alignment with the distribution of topological features observed in the original graphs. Furthermore, application to real brain network data showcases its potential for complex and real graph applications.

Primary Area: Deep learning (e.g., architectures, generative models, optimization for deep networks, foundation models, LLMs)

Submission Number: 20344