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Flowette: Flow Matching with Graphette Priors for Graph Generation

About

We study generative modeling of graphs with recurring subgraph motifs. We propose Flowette, a continuous flow matching framework that employs a graph neural network-based transformer to learn a velocity field over graph representations with node and edge attributes. Our model promotes topology-aware alignment through optimal transport-based coupling and encourages global structural coherence through regularisation. To incorporate domain-driven structural priors, we introduce graphettes, a new probabilistic family of graph structure models that generalize graphons via controlled structural edits for motifs such as rings, stars, and trees. We theoretically analyze the coupling, invariance, and structural properties of the framework, evaluate it on synthetic and molecular benchmarks, and isolate the contributions of the structural prior, the optimal-transport coupling, and the regularisation terms through controlled ablations. Flowette achieves competitive performance overall, attaining state-of-the-art results on several metrics across multiple benchmarks, highlighting the effectiveness of combining structural priors with flow-based training for modeling complex graph distributions.

Asiri Wijesinghe, Sevvandi Kandanaarachchi, Daniel M. Steinberg, Cheng Soon Ong• 2026

Related benchmarks

TaskDatasetResultRank
Molecular Graph GenerationQM9
Validity99.81
48
Molecular GenerationZINC 250K--
45
Graph generationSBM Graphs (test)
Degree0.0076
25
Synthetic Graph GenerationTree Dataset
Degree Similarity5.00e-4
21
Molecular Graph GenerationMOSES
Uniqueness99.9
21
Graph generationEgo-small (test)
Degree0.0435
19
Molecular Graph GenerationGuacaMol
Validity98.6
13
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