mlsanityData to 14 Oct 2026

GraphWeave: Interpretable and Robust Graph Generation via Random Walk Trajectories

arXiv 2509.17291 ↗First posted 22 Sep 2025cs.LGcited by 0

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Abstract (arXiv)

Given a set of graphs from some unknown family, we want to generate new graphs from that family. Recent methods use diffusion on either graph embeddings or the discrete space of nodes and edges. However, simple changes to embeddings (say, adding noise) can mean uninterpretable changes in the graph. In discrete-space diffusion, each step may add or remove many nodes/edges. It is hard to predict what graph patterns we will observe after many diffusion steps. Our proposed method, called GraphWeave, takes a different approach. We separate pattern generation and graph construction. To find patterns in the training graphs, we see how they transform vectors during random walks. We then generate new graphs in two steps. First, we generate realistic random walk "trajectories" which match the learned patterns. Then, we find the optimal graph that fits these trajectories. The optimization infers all edges jointly, which improves robustness to errors. On four simulated and five real-world benchmark datasets, GraphWeave outperforms existing methods. The most significant differences are on large-scale graph structures such as PageRank, cuts, communities, degree distributions, and flows. GraphWeave is also 10x faster than its closest competitor. Finally, GraphWeave is simple, needing only a transformer and standard optimizers.

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References · 15

  1. 2017MoleculeNet: A Benchmark for Molecular Machine Learningcited by 1,051
  2. 2018Junction Tree Variational Autoencoder for Molecular Graph Generationcited by 652
  3. 2022DiGress: Discrete Denoising diffusion for graph generationcited by 520
  4. 2018GraphRNN: Generating Realistic Graphs with Deep Auto-regressive Modelscited by 413
  5. 2018MolGAN: An implicit generative model for small molecular graphscited by 393
  6. 2020GraphAF: a Flow-based Autoregressive Model for Molecular Graph Generationcited by 305
  7. 2022Score-based Generative Modeling of Graphs via the System of Stochastic Differential Equationscited by 283
  8. 2019Efficient Graph Generation with Graph Recurrent Attention Networkscited by 234
  9. 2018NetGAN: Generating Graphs via Random Walkscited by 131
  10. 2019GraphNVP: An Invertible Flow Model for Generating Molecular Graphscited by 116
  11. 2022SPECTRE: Spectral Conditioning Helps to Overcome the Expressivity Limits of One-shot Graph Generatorscited by 99
  12. 2020A Systematic Survey on Deep Generative Models for Graph Generationcited by 94
3 more
  1. 2023Autoregressive Diffusion Model for Graph Generationcited by 83
  2. 2022Fast Graph Generation via Spectral Diffusioncited by 36
  3. 2024Neural Graph Generator: Feature-Conditioned Graph Generation using Latent Diffusion Modelscited by 8

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