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HOG-Diff: Higher-Order Guided Diffusion for Graph Generation

About

Graph generation is a critical yet challenging task, as empirical analyses require a deep understanding of complex, non-Euclidean structures. Diffusion models have recently made significant advances in graph generation, but these models are typically adapted from image generation frameworks and overlook inherent higher-order topology, limiting their ability to capture graph topology. In this work, we propose Higher-order Guided Diffusion (HOG-Diff), a principled framework that progressively generates plausible graphs with inherent topological structures. HOG-Diff follows a coarse-to-fine generation curriculum, guided by higher-order topology and implemented via diffusion bridges. We further prove that our model admits stronger theoretical guarantees than classical diffusion frameworks. Extensive experiments across eight graph generation benchmarks, spanning diverse domains and including large-scale settings, demonstrate the scalability of our method and its superior performance on both pairwise and higher-order topological metrics. Our project page is available \href{https://circle-group.github.io/research/hog-diff/}{here}.

Yiming Huang, Tolga Birdal• 2025

Related benchmarks

TaskDatasetResultRank
Graph generationENZYMES
Clustering0.061
45
Molecular Graph GenerationQM9
Validity98.74
37
Molecular GenerationQM9 (test)
Validity98.74
32
Abstract graph generationEgo small
Average MMD0.016
27
Molecular GenerationZINC250k (test)
Validity98.56
26
Graph generationSBM
Degree0.0028
18
Molecule GenerationMOSES (test)
Validity99.7
17
Generic Graph GenerationCommunity small
Degree0.006
11
Topological Preservation AnalysisQM9
Kappa (FR)0.077
5
Topological Preservation AnalysisZINC 250K
Kappa (FR)0.19
4
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