# Efficient Graph Generation via Direct Prediction and Flow Matching

arXiv: https://arxiv.org/abs/2610.05397 · HTML: https://mlsanity.com/paper/2610.05397/

## Key facts

- No citing papers in the map yet (data through 14 Oct 2026).
- Placed in Flow matching, time series and science, one of 14 directions in Diffusion models.
- Builds on 37 of its 51 references that are in the map.
- First posted on arXiv 4 Oct 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 37)

- [Denoising Diffusion Probabilistic Models](https://mlsanity.com/paper/2006.11239/) (2020)
- [Score-Based Generative Modeling through Stochastic Differential Equations](https://mlsanity.com/paper/2011.13456/) (2020)
- [Classifier-Free Diffusion Guidance](https://mlsanity.com/paper/2207.12598/) (2022)
- [Flow Matching for Generative Modeling](https://mlsanity.com/paper/2210.02747/) (2022)
- [Flow Straight and Fast: Learning to Generate and Transfer Data with Rectified Flow](https://mlsanity.com/paper/2209.03003/) (2022)
- [Elucidating the Design Space of Diffusion-Based Generative Models](https://mlsanity.com/paper/2206.00364/) (2022)
- [Building Normalizing Flows with Stochastic Interpolants](https://mlsanity.com/paper/2209.15571/) (2022)
- [A Generalization of Transformer Networks to Graphs](https://mlsanity.com/paper/2012.09699/) (2020)
- [DiGress: Discrete Denoising diffusion for graph generation](https://mlsanity.com/paper/2209.14734/) (2022)
- [GraphRNN: Generating Realistic Graphs with Deep Auto-regressive Models](https://mlsanity.com/paper/1802.08773/) (2018)
- [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)
- [Score-based Generative Modeling of Graphs via the System of Stochastic Differential Equations](https://mlsanity.com/paper/2202.02514/) (2022)
- [Permutation Invariant Graph Generation via Score-Based Generative Modeling](https://mlsanity.com/paper/2003.00638/) (2020)
- [Efficient Graph Generation with Graph Recurrent Attention Networks](https://mlsanity.com/paper/1910.00760/) (2019)
- [DIFUSCO: Graph-based Diffusion Solvers for Combinatorial Optimization](https://mlsanity.com/paper/2302.08224/) (2023)
- [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)
- [Diffusion-based Molecule Generation with Informative Prior Bridges](https://mlsanity.com/paper/2209.00865/) (2022)
- [SPECTRE: Spectral Conditioning Helps to Overcome the Expressivity Limits of One-shot Graph Generators](https://mlsanity.com/paper/2204.01613/) (2022)
- [MiDi: Mixed Graph and 3D Denoising Diffusion for Molecule Generation](https://mlsanity.com/paper/2302.09048/) (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)
- [Generative Diffusion Models on Graphs: Methods and Applications](https://mlsanity.com/paper/2302.02591/) (2023)
- [Efficient and Degree-Guided Graph Generation via Discrete Diffusion Modeling](https://mlsanity.com/paper/2305.04111/) (2023)
- [Non-Denoising Forward-Time Diffusions](https://mlsanity.com/paper/2312.14589/) (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)
- [Graph Generation with Diffusion Mixture](https://mlsanity.com/paper/2302.03596/) (2023)

## Abstract (arXiv)

Generative modeling of graph-structured data is crucial for tasks ranging from drug discovery to social network simulation. Among these models, denoising diffusion models have achieved great success in graph generation by learning to progressively reverse a process that adds noise to the original graph. However, the standard noise-prediction approach of diffusion models is suboptimal for graph data. The goal for a graph generative model is to learn the clean graphs' topological properties, such as connectivity and degree distribution. Because a diffusion model that predicts noise does not explicitly learn these topological properties, it is challenging for the model to output graphs with the desired structural statistics. To address this challenge, we introduce Direct Graph Flow Matching (DiGFM), a novel graph transformer model guided by two goals: predict clean graphs and improve sampling efficiency. Distinct from the prevailing diffusion approach, DiGFM employs a continuous flow-matching paradigm and integrates direct graph prediction. Specifically, DiGFM maps the prior noise distribution to the clean graph distribution via a multi-step process: the model repeatedly predicts the underlying clean graph, and a transformation is employed to convert the model output to the velocity vector that points in the direction toward the clean graph distribution. This design enables DiGFM to generate high-quality samples using only 2.5% to 15.6% of the steps required by diffusion-based models, which leads to a 5.3x to 257x speedup in wall-clock inference time. Experiments demonstrate that DiGFM outperforms or matches prior state-of-the-art models across general graph benchmarks and molecular datasets, generating graphs with strong adherence to ground-truth structural statistics at significantly faster inference speeds.