Unifying Generation and Prediction on Graphs with Latent Graph Diffusion
On the map: Diffusion models → Flow matching, time series and science
Abstract (arXiv)
In this paper, we propose the first framework that enables solving graph learning tasks of all levels (node, edge and graph) and all types (generation, regression and classification) using one formulation. We first formulate prediction tasks including regression and classification into a generic (conditional) generation framework, which enables diffusion models to perform deterministic tasks with provable guarantees. We then propose Latent Graph Diffusion (LGD), a generative model that can generate node, edge, and graph-level features of all categories simultaneously. We achieve this goal by embedding the graph structures and features into a latent space leveraging a powerful encoder and decoder, then training a diffusion model in the latent space. LGD is also capable of conditional generation through a specifically designed cross-attention mechanism. Leveraging LGD and the ``all tasks as generation'' formulation, our framework is capable of solving graph tasks of various levels and types. We verify the effectiveness of our framework with extensive experiments, where our models achieve state-of-the-art or highly competitive results across a wide range of generation and regression tasks.
Key facts. Cited by 24 papers in the map (data through 7 Oct 2026). Placed in Flow matching, time series and science, one of 14 directions in Diffusion models. Builds on 75 of its 83 references that are in the map. First posted on arXiv 4 Feb 2024.
Builds on
75 of 83 references.
Closest ancestors · 9
Same direction, newest first
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- 2022Equivariant Diffusion for Molecule Generation in 3D31 Mar
- 2022Score-based Generative Modeling of Graphs via the System of Stochastic Differential Equations5 Feb
- 2020Permutation Invariant Graph Generation via Score-Based Generative Modeling2 Mar
Other references · 66
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- 2016Semi-Supervised Classification with Graph Convolutional Networkscited by 11,282
- 2020Denoising Diffusion Implicit Modelscited by 9,655
- 2020Score-Based Generative Modeling through Stochastic Differential Equationscited by 8,964
- 2017Graph Attention Networkscited by 8,854
- 2017Neural Discrete Representation Learningcited by 4,650
- 2018How Powerful are Graph Neural Networks?cited by 4,355
- 2019Generative Modeling by Estimating Gradients of the Data Distributioncited by 4,067
- 2021On the Opportunities and Risks of Foundation Modelscited by 3,961
- 2020Open Graph Benchmark: Datasets for Machine Learning on Graphscited by 2,148
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- 2020Improved Techniques for Training Score-Based Generative Modelscited by 1,036
- 2018Pitfalls of Graph Neural Network Evaluationcited by 994
- 2016Revisiting Semi-Supervised Learning with Graph Embeddingscited by 970
- 2019Strategies for Pre-training Graph Neural Networkscited by 964
- 2018Weisfeiler and Leman Go Neural: Higher-order Graph Neural Networkscited by 878
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- 2020Benchmarking Graph Neural Networkscited by 672
- 2020Principal Neighbourhood Aggregation for Graph Netscited by 477
- 2021Rethinking Graph Transformers with Spectral Attentioncited by 468
- 2022Sampling is as easy as learning the score: theory for diffusion models with minimal data assumptionscited by 440
- 2019Provably Powerful Graph Networkscited by 385
- 2021Graph Neural Networks with Learnable Structural and Positional Representationscited by 326
- 2021Do Transformers Really Perform Bad for Graph Representation?cited by 318
- 2020GraphAF: a Flow-based Autoregressive Model for Molecular Graph Generationcited by 301
- 2023Your Diffusion Model is Secretly a Zero-Shot Classifiercited by 301
- 2018Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation Modelscited by 270
- 2023One for All: Towards Training One Graph Model for All Classification Taskscited by 239
- 2020Can Graph Neural Networks Count Substructures?cited by 235
- 2021Weisfeiler and Lehman Go Cellular: CW Networkscited by 218
- 2022Pure Transformers are Powerful Graph Learnerscited by 188
- 2020MoFlow: An Invertible Flow Model for Generating Molecular Graphscited by 183
- 2022Convergence of score-based generative modeling for general data distributionscited by 179
- 2023Generalization in diffusion models arises from geometry-adaptive harmonic representationscited by 179
- 2021GraphDF: A Discrete Flow Model for Molecular Graph Generationcited by 177
- 2022Sign and Basis Invariant Networks for Spectral Graph Representation Learningcited by 176
- 2023Score Approximation, Estimation and Distribution Recovery of Diffusion Models on Low-Dimensional Datacited by 171
- 2022Revisiting Heterophily For Graph Neural Networkscited by 169
- 2023Exphormer: Sparse Transformers for Graphscited by 166
- 2021From Stars to Subgraphs: Uplifting Any GNN with Local Structure Awarenesscited by 154
- 2023Graph Inductive Biases in Transformers without Message Passingcited by 150
- 2022NAGphormer: A Tokenized Graph Transformer for Node Classification in Large Graphscited by 137
- 2021Nested Graph Neural Networkscited by 136
- 2023Rethinking the Expressive Power of GNNs via Graph Biconnectivitycited by 119
- 2021Global Self-Attention as a Replacement for Graph Convolutioncited by 113
- 2018Graphite: Iterative Generative Modeling of Graphscited by 112
- 2022Understanding and Extending Subgraph GNNs by Rethinking Their Symmetriescited by 112
- 2018Multi-Objective De Novo Drug Design with Conditional Graph Generative Modelcited by 101
50 most cited of 66 All 66 (JSON)
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Citing papers per year: 2024: 3; 2025: 7; 2026: 14.
24 papers.
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- 2026Principled Latent Diffusion for Graphs via Laplacian Autoencoders20 Jan 2026
- 2025BadGraph: A Backdoor Attack Against Latent Diffusion Model for Text-Guided Graph Generation23 Oct 2025
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