# HOG-Diff: Higher-Order Guided Diffusion for Graph Generation

arXiv: https://arxiv.org/abs/2502.04308 · HTML: https://mlsanity.com/paper/2502.04308/

## Key facts

- Cited by 8 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 68 of its 102 references that are in the map.
- First posted on arXiv 6 Feb 2025.

## 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 68)

- [Attention Is All You Need](https://mlsanity.com/paper/1706.03762/) (2017)
- [Denoising Diffusion Probabilistic Models](https://mlsanity.com/paper/2006.11239/) (2020)
- [PyTorch: An Imperative Style, High-Performance Deep Learning Library](https://mlsanity.com/paper/1912.01703/) (2019)
- [Semi-Supervised Classification with Graph Convolutional Networks](https://mlsanity.com/paper/1609.02907/) (2016)
- [Score-Based Generative Modeling through Stochastic Differential Equations](https://mlsanity.com/paper/2011.13456/) (2020)
- [Generative Modeling by Estimating Gradients of the Data Distribution](https://mlsanity.com/paper/1907.05600/) (2019)
- [FiLM: Visual Reasoning with a General Conditioning Layer](https://mlsanity.com/paper/1709.07871/) (2017)
- [A Generalization of Transformer Networks to Graphs](https://mlsanity.com/paper/2012.09699/) (2020)
- [Junction Tree Variational Autoencoder for Molecular Graph Generation](https://mlsanity.com/paper/1802.04364/) (2018)
- [On the Bottleneck of Graph Neural Networks and its Practical Implications](https://mlsanity.com/paper/2006.05205/) (2020)
- [Diffusion Schr"odinger Bridge with Applications to Score-Based Generative Modeling](https://mlsanity.com/paper/2106.01357/) (2021)
- [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)
- [MolGAN: An implicit generative model for small molecular graphs](https://mlsanity.com/paper/1805.11973/) (2018)
- [GraphVAE: Towards Generation of Small Graphs Using Variational Autoencoders](https://mlsanity.com/paper/1802.03480/) (2018)
- [Come-Closer-Diffuse-Faster: Accelerating Conditional Diffusion Models for Inverse Problems through Stochastic Contraction](https://mlsanity.com/paper/2112.05146/) (2021)
- [GraphAF: a Flow-based Autoregressive Model for Molecular Graph Generation](https://mlsanity.com/paper/2001.09382/) (2020)
- [GuacaMol: Benchmarking Models for De Novo Molecular Design](https://mlsanity.com/paper/1811.09621/) (2018)
- [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)
- [Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation Models](https://mlsanity.com/paper/1811.12823/) (2018)
- [Permutation Invariant Graph Generation via Score-Based Generative Modeling](https://mlsanity.com/paper/2003.00638/) (2020)
- [Curriculum Learning: A Survey](https://mlsanity.com/paper/2101.10382/) (2021)
- [Efficient Graph Generation with Graph Recurrent Attention Networks](https://mlsanity.com/paper/1910.00760/) (2019)
- [Learning Deep Generative Models of Graphs](https://mlsanity.com/paper/1803.03324/) (2018)
- [Weisfeiler and Lehman Go Cellular: CW Networks](https://mlsanity.com/paper/2106.12575/) (2021)
- [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)
- [Image Restoration with Mean-Reverting Stochastic Differential Equations](https://mlsanity.com/paper/2301.11699/) (2023)
- [GraphDF: A Discrete Flow Model for Molecular Graph Generation](https://mlsanity.com/paper/2102.01189/) (2021)

## Built on by (most cited first, 8 of 8)

- [Copresheaf Topological Neural Networks: A Generalized Deep Learning Framework](https://mlsanity.com/paper/2505.21251/) (2025)
- [Fractional Diffusion Bridge Models](https://mlsanity.com/paper/2511.01795/) (2025)
- [MacroGuide: Topological Guidance for Macrocycle Generation](https://mlsanity.com/paper/2602.14977/) (2026)
- [Collapsed Effective Operators for Higher-order Structures](https://mlsanity.com/paper/2606.23517/) (2026)
- [α-Graph: Attention-Infused Normalizing Flow Approach to Tractable Graph Modeling](https://mlsanity.com/paper/2609.07961/) (2026)
- [Higher-Order Molecular Grammars for Generative and Foundation Models in Chemistry](https://mlsanity.com/paper/2610.02186/) (2026)
- [RNADyn: A Benchmark for Generating and Understanding RNA Dynamics](https://mlsanity.com/paper/2610.03712/) (2026)
- [MIRRA: Fast, High-Fidelity Molecular Generation with Chemistry-Informed Discrete Flow Matching](https://mlsanity.com/paper/2610.17244/) (2026)

## Abstract (arXiv)

Graph generation is a critical yet challenging task, as empirical analyses require a deep understanding of complex, non-Euclidean structures. Diffusion models have recently made significant advances in graph generation, but these models are typically adapted from image generation frameworks and overlook inherent higher-order topology, limiting their ability to capture graph topology. In this work, we propose Higher-order Guided Diffusion (HOG-Diff), a principled framework that progressively generates plausible graphs with inherent topological structures. HOG-Diff follows a coarse-to-fine generation curriculum, guided by higher-order topology and implemented via diffusion bridges. We further prove that our model admits stronger theoretical guarantees than classical diffusion frameworks. Extensive experiments across eight graph generation benchmarks, spanning diverse domains and including large-scale settings, demonstrate the scalability of our method and its superior performance on both pairwise and higher-order topological metrics. Our project page is available hrefhttps://circle-group.github.io/research/hog-diff/here.