Generalizing GNNs with Tokenized Mixture of Experts
Abstract
Deployed graph neural networks (GNNs) operate as frozen snapshots, yet must simultaneously fit clean data, generalize under distribution shifts, and remain stable against input perturbations---three goals that are difficult to satisfy at once with a single fixed model. We first show theoretically that applying the same computation to every input creates a fundamental tradeoff: to resist perturbations, the model must limit how much it relies on shift-sensitive features, which leaves an irreducible floor on worst-case generalization error. Input-dependent routing---assigning different computation paths to different inputs---can break this ceiling, but brings new fragility: distribution shifts may misguide routing decisions, and perturbations cause the routing itself to fluctuate, compounding downstream errors. We formalize these effects through two risk decompositions that separate (i) how well the available paths cover diverse test conditions from how accurately the router selects among them, and (ii) how sensitive each fixed path is from how much routing fluctuation amplifies that sensitivity. Guided by these analyses, we propose STEM-GNN: Stable TokEnized Mixture-of-Experts GNN, a pretrain-then-finetune framework that couples a mixture-of-experts encoder providing diverse computation paths to cover heterogeneous test conditions, a vector-quantized token interface that maps encoder outputs to a discrete codebook to absorb small routing fluctuations before they reach downstream layers, and a regularized prediction head that bounds how much the output can amplify any residual upstream variation. Experiments on nine benchmarks spanning node, link, and graph tasks show that STEM-GNN achieves the best three-way balance, improving generalization under degree and homophily shifts and stability under feature masking and edge deletion, while maintaining competitive performance on clean graphs. The code and data are available at.
Benchmark Results
Tested on 3 datasets 21 baseline values reported too low Non-standard metric on 1 dataset
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: Understanding Heterophily for Graph Neural Networks (ICML 2024) |
| 39 | SAGE | 0.8911
±0.0012 | |
| 44 | GAT | 0.8897
±0.0014 best reported | |
| 130 | BGRL | 0.8730
±0.0010 best reported | best at pub: Oversmoothing: A Nightmare for Graph Contrastive Learning? (2023) |
| 165 | GIN | 0.8660
±0.0091 best reported | best at pub: Large Language Model Meets Graph Neural Network in Knowledge Distillation (AAAI 2024) |
| 177 | DGI | 0.8630
±0.0020 best reported | best at pub: Oversmoothing: A Nightmare for Graph Contrastive Learning? (2023) |
| 203 | GIANT | 0.8552
±0.0018 best reported | best at pub: Efficient Tuning and Inference for Large Language Models on Textual Graphs (IJCAI 2024) best today: Efficient Text-Attributed Graph Learning through Selective Annotation and Graph Alignment (TMLR 2025) |
| 280 | GraphMAE | 0.8420
±0.0040 best reported | best at pub: Disentangled Generative Graph Representation Learning (2024) best today: Discrepancy-Aware Graph Mask Auto-Encoder (KDD 2025) |
| 718 | MARIO | 0.7785
±0.0131 | This paper |
| 724 | MLP | 0.7768 | |
| 733 | TFEGNN | 0.7733
±0.0147 | This paper |
| 753 | CaNet | 0.7641
±0.0148 | This paper |
| 764 | GraphMETRO | 0.7569
±0.0334 | This paper |
| 802 | Linear | 0.7237
±0.0033 best reported |
| # | 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 | |
| 20 | GAT | 0.9233
±0.0018 best reported | |
| 116 | SAGE | 0.8881
±0.0015 | |
| 144 | BGRL | 0.8830
±0.0010 best reported | best at pub: Oversmoothing: A Nightmare for Graph Contrastive Learning? (2023) |
| 157 | GIN | 0.8810 best reported | best at pub: UGSL: A Unified Framework for Benchmarking Graph Structure Learning (2023) |
| 204 | DGI | 0.8708
±0.0017 best reported | |
| 210 | MLP | 0.8690
±0.0074 | |
| 232 | GraphMAE | 0.8594
±0.0016 best reported | |
| 310 | GIANT | 0.8275
±0.0028 best reported | |
| 700 | GFT | 0.7770
±0.0139 | This paper |
| 732 | MARIO | 0.7712
±0.0098 | This paper |
| 739 | TFEGNN | 0.7704
±0.0102 | This paper |
| 792 | CaNet | 0.7533
±0.0154 | This paper |
| 794 | GraphMETRO | 0.7524
±0.0168 | This paper |
| 848 | Linear | 0.6866
±0.0224 | This paper |
Knowledge Graphs
WN18RR
Global leaderboard →Sorted by Accuracy. Highlighted rows are from other papers.
| # | Model | Accuracy ↑ | Paper |
|---|---|---|---|
| 1 | OFA-llama2-13b | 0.9814
±0.0025 | |
| 2 | OFA-llama2-7b | 0.9808
±0.0016 | |
| 3 | OFA-e5 | 0.9784
±0.0035 | |
| 11 | GraphMAE | 0.9387
±0.0035 best reported | best at pub: Towards Graph Foundation Models: Learning Generalities Across Graphs via Task-Trees (ICML 2024) |
| 14 | STEM-GNN | 0.9234
±0.0025 | This paper |
| 16 | GFT | 0.9191 best reported | best at pub: Relation-Aware Graph Foundation Model (2025) |
| 18 | GCN | 0.8677
±0.0030 best reported | best at pub: Towards Graph Foundation Models: Learning Generalities Across Graphs via Task-Trees (ICML 2024) |
| 19 | GAT | 0.8552
±0.0012 best reported | best at pub: Towards Effective Federated Graph Foundation Model via Mitigating Knowledge Entanglement (NeurIPS 2025) |
| 21 | GIANT | 0.8436
±0.0030 | This paper |
| 22 | Linear | 0.8433
±0.0020 best reported | best at pub: Towards Effective Federated Graph Foundation Model via Mitigating Knowledge Entanglement (NeurIPS 2025) |
| 26 | GraphSAGE | 0.8298
±0.0022 | |
| 28 | GIN | 0.8025
±0.0028 best reported | best at pub: Towards Effective Federated Graph Foundation Model via Mitigating Knowledge Entanglement (NeurIPS 2025) |
| 29 | DGI | 0.7575
±0.0090 | This paper |
| 30 | BGRL | 0.7544
±0.0030 | This paper |
