GRAND: Graph Neural Diffusion
Abstract
We present Graph Neural Diffusion (GRAND) that approaches deep learning on graphs as a continuous diffusion process and treats Graph Neural Networks (GNNs) as discretisations of an underlying PDE. In our model, the layer structure and topology correspond to the discretisation choices of temporal and spatial operators. Our approach allows a principled development of a broad new class of GNNs that are able to address the common plights of graph learning models such as depth, oversmoothing, and bottlenecks. Key to the success of our models are stability with respect to perturbations in the data and this is addressed for both implicit and explicit discretisation schemes. We develop linear and nonlinear versions of GRAND, which achieve competitive results on many standard graph benchmarks.
Benchmark Results
Tested on 3 datasets 4 baseline values reported too low
Tables show presented results in global context (best 3 papers + GCN + MLP).
Classic
| # | Model | Accuracy ↑ | Paper |
|---|---|---|---|
| 1 | GraphSAGE+CNA | 0.9418
±0.0033 | |
| 2 | GCN+CNA | 0.9366
±0.0048 | |
| 3 | TransformerConv | 0.9350
±0.0058 | |
| 21 | GCN | 0.9004 best reported | best at pub: SplineCNN: Fast Geometric Deep Learning with Continuous B-Spline Kernels (2017) best today: Understanding Heterophily for Graph Neural Networks (ICML 2024) |
| 39 | SAGE | 0.8911
±0.0012 | |
| 44 | GAT | 0.8897
±0.0014 best reported | best at pub: Learned Low Precision Graph Neural Networks (2020) |
| 240 | GRAND-l | 0.8470
±0.0060 | This paper |
| 283 | CGNN | 0.8420
±0.0100 best reported | best at pub: Continuous Graph Neural Networks (ICML 2019) |
| 317 | GDE | 0.8380
±0.0050 | This paper |
| 349 | GRAND-nl | 0.8360
±0.0050 | This paper |
| 393 | GODE | 0.8330
±0.0030 | This paper |
| 508 | MoNet | 0.8220
±0.0070 | prev best: Learning Conjoint Attentions for Graph Neural Nets (NeurIPS 2021) Improvement within reported uncertainty; not highlighted. |
| 637 | AdaLanczos | 0.8040
±0.0110 | This paper |
| 676 | Lanczos | 0.7950
±0.0180 | This paper |
| 724 | MLP | 0.7768 | |
| 731 | GS-maxpool | 0.7740
±0.0100 | This paper |
| # | Model | Accuracy ↑ | Paper |
|---|---|---|---|
| 1 | CNA | 0.9575
±0.0058 | |
| 2 | IS-GIB | 0.9390
±0.0187 | |
| 3 | EERM | 0.9112
±0.0145 | |
| 44 | GCN | 0.8033
±0.0088 | |
| 350 | MLP | 0.7289
±0.0010 | |
| 391 | GDE | 0.7250
±0.0050 | This paper |
| 411 | GODE | 0.7240
±0.0060 | This paper |
| 590 | CGNN | 0.7050
±0.0123 best reported | best today: Gauge-Equivariant Graph Networks via Self-Interference Cancellation (2025) |
| 665 | AdaLanczos | 0.6870
±0.0100 | This paper |
| 745 | Lanczos | 0.6620
±0.0190 | This paper |
| # | Model | Accuracy ↑ | Paper |
|---|---|---|---|
| 1 | LGTL | 0.9518
±0.0011 | |
| 2 | MixHop (LO) | 0.9513
±0.0038 | |
| 3 | GraphSAGE (LO) | 0.9511
±0.0036 | |
| 18 | GCN | 0.9296
±0.0015 best reported | best at pub: Tackling Over-Smoothing for General Graph Convolutional Networks (2020) |
| 116 | SAGE | 0.8881
±0.0015 | |
| 210 | MLP | 0.8690
±0.0074 | |
| 372 | GRAND-nl-rw | 0.8100
±0.0040 | This paper |
| 412 | GRAND-l | 0.8040
±0.0040 | This paper |
| 430 | CGNN | 0.8020
±0.0030 | This paper |
| 440 | GODE | 0.8010
±0.0030 | This paper |
| 459 | GDE | 0.7990
±0.0030 | This paper |
| 483 | GRAND-nl | 0.7970
±0.0030 | This paper |
| 654 | Lanczos | 0.7830
±0.0030 | This paper |
| 670 | AdaLanczos | 0.7810
±0.0040 | This paper |
| 754 | GS-maxpool | 0.7660
±0.0080 | This paper |
