# Hierarchical Discrete Flow Matching for Graph Generation

arXiv: https://arxiv.org/abs/2604.00236 · HTML: https://mlsanity.com/paper/2604.00236/

## Key facts

- Cited by 2 papers in the map (data through 14 Oct 2026).
- Placed in Flow matching, time series and science, one of 14 directions in Diffusion models.
- Builds on 42 of its 56 references that are in the map.
- First posted on arXiv 31 Mar 2026.

## Placed in

- Diffusion models / [Flow matching, time series and science](https://mlsanity.com/diffusion/flow-matching-time-series-and-science/)

## Builds on (most cited first, 30 of 42)

- [Denoising Diffusion Probabilistic Models](https://mlsanity.com/paper/2006.11239/) (2020)
- [MoleculeNet: A Benchmark for Molecular Machine Learning](https://mlsanity.com/paper/1703.00564/) (2017)
- [Hierarchical Graph Representation Learning with Differentiable Pooling](https://mlsanity.com/paper/1806.08804/) (2018)
- [Automatic chemical design using a data-driven continuous representation of molecules](https://mlsanity.com/paper/1610.02415/) (2016)
- [Junction Tree Variational Autoencoder for Molecular Graph Generation](https://mlsanity.com/paper/1802.04364/) (2018)
- [GraphRNN: Generating Realistic Graphs with Deep Auto-regressive Models](https://mlsanity.com/paper/1802.08773/) (2018)
- [Discrete Flow Matching](https://mlsanity.com/paper/2407.15595/) (2024)
- [GraphAF: a Flow-based Autoregressive Model for Molecular Graph Generation](https://mlsanity.com/paper/2001.09382/) (2020)
- [Generative Flows on Discrete State-Spaces: Enabling Multimodal Flows with Applications to Protein Co-Design](https://mlsanity.com/paper/2402.04997/) (2024)
- [Grammar Variational Autoencoder](https://mlsanity.com/paper/1703.01925/) (2017)
- [Score-based Generative Modeling of Graphs via the System of Stochastic Differential Equations](https://mlsanity.com/paper/2202.02514/) (2022)
- [Efficient Graph Generation with Graph Recurrent Attention Networks](https://mlsanity.com/paper/1910.00760/) (2019)
- [Hierarchical Generation of Molecular Graphs using Structural Motifs](https://mlsanity.com/paper/2002.03230/) (2020)
- [Fr'echet ChemNet Distance: A metric for generative models for molecules in drug discovery](https://mlsanity.com/paper/1803.09518/) (2018)
- [MoFlow: An Invertible Flow Model for Generating Molecular Graphs](https://mlsanity.com/paper/2006.10137/) (2020)
- [GraphDF: A Discrete Flow Model for Molecular Graph Generation](https://mlsanity.com/paper/2102.01189/) (2021)
- [Graph Clustering with Graph Neural Networks](https://mlsanity.com/paper/2006.16904/) (2020)
- [Scene Graph Generation from Objects, Phrases and Region Captions](https://mlsanity.com/paper/1707.09700/) (2017)
- [GraphNVP: An Invertible Flow Model for Generating Molecular Graphs](https://mlsanity.com/paper/1905.11600/) (2019)
- [Graph Normalizing Flows](https://mlsanity.com/paper/1905.13177/) (2019)
- [SPECTRE: Spectral Conditioning Helps to Overcome the Expressivity Limits of One-shot Graph Generators](https://mlsanity.com/paper/2204.01613/) (2022)
- [Autoregressive Diffusion Model for Graph Generation](https://mlsanity.com/paper/2307.08849/) (2023)
- [Variational Flow Matching for Graph Generation](https://mlsanity.com/paper/2406.04843/) (2024)
- [DeFoG: Discrete Flow Matching for Graph Generation](https://mlsanity.com/paper/2410.04263/) (2024)
- [Efficient and Degree-Guided Graph Generation via Discrete Diffusion Modeling](https://mlsanity.com/paper/2305.04111/) (2023)
- [Discrete-state Continuous-time Diffusion for Graph Generation](https://mlsanity.com/paper/2405.11416/) (2024)
- [Diffusion Models for Graphs Benefit From Discrete State Spaces](https://mlsanity.com/paper/2210.01549/) (2022)
- [Understanding Pooling in Graph Neural Networks](https://mlsanity.com/paper/2110.05292/) (2021)
- [GraphGen: A Scalable Approach to Domain-agnostic Labeled Graph Generation](https://mlsanity.com/paper/2001.08184/) (2020)
- [Generative Code Modeling with Graphs](https://mlsanity.com/paper/1805.08490/) (2018)

## Built on by (most cited first, 2 of 2)

- [Mean Flow Distillation: Robust and Stable Distillation for Flow Matching Models](https://mlsanity.com/paper/2606.11155/) (2026)
- [MIRRA: Fast, High-Fidelity Molecular Generation with Chemistry-Informed Discrete Flow Matching](https://mlsanity.com/paper/2610.17244/) (2026)

## Abstract (arXiv)

Denoising-based models, including diffusion and flow matching, have led to substantial advances in graph generation. Despite this progress, such models remain constrained by two fundamental limitations: a computational cost that scales quadratically with the number of nodes and a large number of function evaluations required during generation. In this work, we introduce a novel hierarchical generative framework that reduces the number of node pairs that must be evaluated and adopts discrete flow matching to significantly decrease the number of denoising iterations. We empirically demonstrate that our approach more effectively captures graph distributions while substantially reducing generation time.