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Are Expressive Encoders Necessary for Discrete Graph Generation?

arXiv cs.AI / 3/11/2026

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Key Points

  • The paper introduces GenGNN, a modular message-passing framework designed for discrete graph generation, offering an alternative to highly expressive neural backbones like transformers.
  • GenGNN-based diffusion models achieve over 90% validity on Tree and Planar datasets with 2-5 times faster inference speeds than graph transformers.
  • For molecule generation, using DiGress with a GenGNN backbone results in a high validity of 99.49%, demonstrating strong practical performance.
  • A systematic ablation study highlights the importance of residual connections within GenGNN to mitigate oversmoothing in complex graph structures.
  • Scaling analyses with a metric-space perspective reveal insights into the learned diffusion representations and evaluate the expressiveness of GNNs as neural backbones for discrete diffusion tasks.

Computer Science > Machine Learning

arXiv:2603.08825 (cs)
[Submitted on 9 Mar 2026]

Title:Are Expressive Encoders Necessary for Discrete Graph Generation?

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Abstract:Discrete graph generation has emerged as a powerful paradigm for modeling graph data, often relying on highly expressive neural backbones such as transformers or higher-order architectures. We revisit this design choice by introducing GenGNN, a modular message-passing framework for graph generation. Diffusion models with GenGNN achieve more than 90% validity on Tree and Planar datasets, within margins of graph transformers, at 2-5x faster inference speed. For molecule generation, DiGress with a GenGNN backbone achieves 99.49% Validity. A systematic ablation study shows the benefit provided by each GenGNN component, indicating the need for residual connections to mitigate oversmoothing on complicated graph-structure. Through scaling analyses, we apply a principled metric-space view to investigate learned diffusion representations and uncover whether GNNs can be expressive neural backbones for discrete diffusion.
Comments:
Subjects: Machine Learning (cs.LG); Artificial Intelligence (cs.AI)
Cite as: arXiv:2603.08825 [cs.LG]
  (or arXiv:2603.08825v1 [cs.LG] for this version)
  https://doi.org/10.48550/arXiv.2603.08825
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arXiv-issued DOI via DataCite

Submission history

From: Jay Revolinsky [view email]
[v1] Mon, 9 Mar 2026 18:36:06 UTC (14,749 KB)
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