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Score-based Generative Modeling of Graphs via the System of Stochastic Differential Equations

ICML 2022 · Graph learning › Graph self-supervised learning · approach: Diffusion-based graph generation · 25 citations (OpenAlex)

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Measured effects reported in the paper

What was changedWhereMeasuredEffect
Model node-edge dependency jointly over time instead of generating nodes and edges sequentially (ablation)GDSS · Ego-smallAvg. MMD: 0.023 -> 0.017Helped
Model node-edge dependency jointly over time instead of generating nodes and edges sequentially (ablation)GDSS · Community-smallAvg. MMD: 0.073 -> 0.046Helped
Model node-edge dependency jointly over time instead of generating nodes and edges sequentially (ablation)GDSS · EnzymesAvg. MMD: 0.111 -> 0.032Helped
Model node-edge dependency jointly over time instead of generating nodes and edges sequentially (ablation)GDSS · GridAvg. MMD: 0.135 -> 0.062Helped
Model node-edge dependency jointly over time instead of generating nodes and edges sequentially (ablation)GDSS · QM9Validity w/o corr. (%): 94.47 -> 95.72Helped
Model node-edge dependency jointly over time instead of generating nodes and edges sequentially (ablation)GDSS · ZINC250kValidity w/o corr. (%): 92.39 -> 97.01Helped
Use discrete-step perturbation instead of continuous-time diffusion (ablation)GDSS-discrete · Molecule generationGeneration qualityHurt
Use GMH layers instead of simple GNN layers in EDP-GNN (ablation)EDP-GNN · Graph generationGeneration qualityNo clear effect
Use GMH instead of GNN for the node score model (ablation)GDSS · Graph generationGeneration qualityNo clear effect
Use S4 instead of predictor-only EM or Reverse samplers (ablation)GDSS · Graph generationGeneration qualityHelped
Use S4 instead of PC samplers (ablation)GDSS · Graph generationGeneration qualityHelped
Use EMA for larger graph datasets (ablation)GDSS · Enzymes and GridGeneration performanceHelped

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