# Transformers from Diffusion: A Unified Framework for Neural Message Passing

arXiv: https://arxiv.org/abs/2409.09111 · HTML: https://mlsanity.com/paper/2409.09111/

## Key facts

- Cited by 1 papers in the map (data through 14 Oct 2026).
- Builds on 48 of its 76 references that are in the map.
- First posted on arXiv 13 Sep 2024.

## Builds on (most cited first, 30 of 48)

- [Attention Is All You Need](https://mlsanity.com/paper/1706.03762/) (2017)
- [A Simple Framework for Contrastive Learning of Visual Representations](https://mlsanity.com/paper/2002.05709/) (2020)
- [Semi-Supervised Classification with Graph Convolutional Networks](https://mlsanity.com/paper/1609.02907/) (2016)
- [Graph Attention Networks](https://mlsanity.com/paper/1710.10903/) (2017)
- [Inductive Representation Learning on Large Graphs](https://mlsanity.com/paper/1706.02216/) (2017)
- [How Powerful are Graph Neural Networks?](https://mlsanity.com/paper/1810.00826/) (2018)
- [Neural Ordinary Differential Equations](https://mlsanity.com/paper/1806.07366/) (2018)
- [Dynamic Graph CNN for Learning on Point Clouds](https://mlsanity.com/paper/1801.07829/) (2018)
- [Open Graph Benchmark: Datasets for Machine Learning on Graphs](https://mlsanity.com/paper/2005.00687/) (2020)
- [Simplifying Graph Convolutional Networks](https://mlsanity.com/paper/1902.07153/) (2019)
- [Geometric deep learning: going beyond Euclidean data](https://mlsanity.com/paper/1611.08097/) (2016)
- [Predict then Propagate: Graph Neural Networks meet Personalized PageRank](https://mlsanity.com/paper/1810.05997/) (2018)
- [Representation Learning on Graphs with Jumping Knowledge Networks](https://mlsanity.com/paper/1806.03536/) (2018)
- [Simple and Deep Graph Convolutional Networks](https://mlsanity.com/paper/2007.02133/) (2020)
- [Geom-GCN: Geometric Graph Convolutional Networks](https://mlsanity.com/paper/2002.05287/) (2020)
- [Recipe for a General, Powerful, Scalable Graph Transformer](https://mlsanity.com/paper/2205.12454/) (2022)
- [A Generalization of Transformer Networks to Graphs](https://mlsanity.com/paper/2012.09699/) (2020)
- [Adaptive Universal Generalized PageRank Graph Neural Network](https://mlsanity.com/paper/2006.07988/) (2020)
- [MixHop: Higher-Order Graph Convolutional Architectures via Sparsified Neighborhood Mixing](https://mlsanity.com/paper/1905.00067/) (2019)
- [Diffusion Improves Graph Learning](https://mlsanity.com/paper/1911.05485/) (2019)
- [A critical look at the evaluation of GNNs under heterophily: Are we really making progress?](https://mlsanity.com/paper/2302.11640/) (2023)
- [Do Transformers Really Perform Bad for Graph Representation?](https://mlsanity.com/paper/2106.05234/) (2021)
- [Diffusion-Convolutional Neural Networks](https://mlsanity.com/paper/1511.02136/) (2015)
- [GRAND: Graph Neural Diffusion](https://mlsanity.com/paper/2106.10934/) (2021)
- [Learning Discrete Structures for Graph Neural Networks](https://mlsanity.com/paper/1903.11960/) (2019)
- [Iterative Deep Graph Learning for Graph Neural Networks: Better and Robust Node Embeddings](https://mlsanity.com/paper/2006.13009/) (2020)
- [Neural Sheaf Diffusion: A Topological Perspective on Heterophily and Oversmoothing in GNNs](https://mlsanity.com/paper/2202.04579/) (2022)
- [NodeFormer: A Scalable Graph Structure Learning Transformer for Node Classification](https://mlsanity.com/paper/2306.08385/) (2023)
- [Graph Neural Networks with Heterophily](https://mlsanity.com/paper/2009.13566/) (2020)
- [Finding Global Homophily in Graph Neural Networks When Meeting Heterophily](https://mlsanity.com/paper/2205.07308/) (2022)

## Built on by (most cited first, 1 of 1)

- [Geometry-Induced Diffusion on Graphs: A Learnable Weighted Laplacian for Spectral GNNs](https://mlsanity.com/paper/2602.18141/) (2026)

## Abstract (arXiv)

Learning representations for structured data with certain geometries (e.g., observed or unobserved) is a fundamental challenge, wherein message passing neural networks (MPNNs) have become a de facto class of model solutions. In this paper, inspired by physical systems, we propose an energy-constrained diffusion model, which integrates the inductive bias of diffusion on manifolds with layer-wise constraints of energy minimization. We identify that the diffusion operators have a one-to-one correspondence with the energy functions implicitly descended by the diffusion process, and the finite-difference iteration for solving the energy-constrained diffusion system induces the propagation layers of various types of MPNNs operating on observed or latent structures. This leads to a unified mathematical framework for common neural architectures whose computational flows can be cast as message passing (or its special case), including MLPs, GNNs, and Transformers. Building on these insights, we devise a new class of neural message passing models, dubbed diffusion-inspired Transformers (DIFFormer), whose global attention layers are derived from the principled energy-constrained diffusion framework. Across diverse datasets ranging from real-world networks to images, texts, and physical particles, we demonstrate that the new model achieves promising performance in scenarios where the data structures are observed (as a graph), partially observed, or entirely unobserved.