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Efficient and Scalable Graph Generation through Iterative Local Expansion

ICLR 2024 · Graph learning › Graph self-supervised learning · approach: Diffusion-based graph generation · 0 citations (OpenAlex)

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Generates graphs by iteratively expanding a single node into a full graph via coarsening-inverting denoising diffusion steps with a sparse-expressive Local PPGN, achieving subquadratic sampling and extrapolation to unseen graph sizes.

Problem

Graph generative models struggle to scale beyond a few hundred nodes because modeling edges over all node pairs costs at least quadratic time and one-shot models fail to capture global and local structure together; they also do not generalize to unseen graph sizes.

Approach

Learn to invert multilevel graph coarsening: a diffusion model repeatedly expands each node into a small cluster and refines edges locally, so generation builds global structure first and then local details, avoiding joint modeling over all node pairs. Uses spectrum-guided random coarsening sequences for training and a Local PPGN layer that is expressive on locally dense expansions but linear in e

Key results

Measured effects reported in the paper

What was changedWhereMeasuredEffect
Use iterative local expansion instead of generating the full graph in one shotOurs · Planar graphsV.U.N.: 67.5 -> 95.0Helped
Use iterative local expansion instead of generating the full graph in one shotOurs · Stochastic Block ModelV.U.N.: 75.0 -> 45.0Hurt
Use iterative local expansion instead of generating the full graph in one shotOurs · Tree graphsV.U.N.: 82.5 -> 100Helped
Replace Local Variation cost with random contraction-set costs (ablation)Ours · Planar graphsRatio: 2.1 -> 3.9Hurt
Replace Local Variation cost with random contraction-set costs (ablation)Ours · Planar graphsV.U.N.: 95.0 -> 85.0Hurt
Replace Local Variation cost with random contraction-set costs (ablation)Ours · Tree graphsRatio: 4.0 -> 6.2Hurt
Replace Local Variation cost with random contraction-set costs (ablation)Ours · Tree graphsV.U.N.: 100 -> 100No clear effect
Replace Local Variation cost with random contraction-set costs (ablation)Ours · ProteinsRatio: 5.9 -> 8.2Hurt

Surprising findings

Limitations

Experimental setup

Datasets: planar graphs stochastic block model graphs tree graphs proteins point clouds

Benchmarks: planar graphs stochastic block model graphs tree graphs proteins point clouds

Metrics: MMD degree MMD clustering MMD orbit MMD spectrum MMD wavelet MMD ratio to training set validity uniqueness novelty V.U.N.

Baselines: GraphRNN GRAN SPECTRE DiGress EDGE BwR (EDP-GNN) BiGG GraphGen

Builds on: EDM (elucidating diffusion models) PPGN SignNet GRAN DiGress

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