KDD 2026

Generalizing GNNs with Tokenized Mixture of Experts

Xiaoguang Guo, Zehong Wang, Jiazheng Li, Shawn Spitzel, Qi Yang, Kaize Ding, Jundong Li, Chuxu Zhang

Main figure for 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.

Proposed method: STEM-GNN

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

#ModelAccuracy ↑Paper
1
GraphSAGE+CNA
0.9418 ±0.0033
2
GCN+CNA
0.9366 ±0.0048
3
TransformerConv
0.9350 ±0.0058
21
GCN
actual #21 vs paper #764 743 places worse
0.9004
best reported
actual #21 vs paper #764 743 places worse
paper 0.7565 ±0.0137
paper 0.7565 ±0.0137 Δ at pub 0.1439
39
SAGE
0.8911 ±0.0012
44
GAT
actual #44 vs paper #756 712 places worse
0.8897 ±0.0014
best reported
actual #44 vs paper #756 712 places worse
paper 0.7624 ±0.0162
130
BGRL
actual #130 vs paper #811 681 places worse
0.8730 ±0.0010
best reported
actual #130 vs paper #811 681 places worse
paper 0.7120 ±0.0030
paper 0.7120 ±0.0030 Δ at pub 0.1610
165
GIN
actual #165 vs paper #791 626 places worse
0.8660 ±0.0091
best reported
actual #165 vs paper #791 626 places worse
paper 0.7359 ±0.0210
paper 0.7359 ±0.0210 Δ at pub 0.1301
177
DGI
actual #177 vs paper #808 631 places worse
0.8630 ±0.0020
best reported
actual #177 vs paper #808 631 places worse
paper 0.7210 ±0.0034
paper 0.7210 ±0.0034 Δ at pub 0.1420
203
GIANT
actual #203 vs paper #774 571 places worse
0.8552 ±0.0018
best reported
actual #203 vs paper #774 571 places worse
paper 0.7513 ±0.0049
280
GraphMAE
actual #280 vs paper #796 516 places worse
0.8420 ±0.0040
best reported
actual #280 vs paper #796 516 places worse
paper 0.7310 ±0.0040
paper 0.7310 ±0.0040 Δ at pub 0.1110 Δ today 0.1110
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
actual #802 vs paper #881 79 places worse
0.7237 ±0.0033
best reported
actual #802 vs paper #881 79 places worse
paper 0.5803 ±0.0233
paper 0.5803 ±0.0233 Δ at pub 0.1434
#ModelAccuracy ↑Paper
1
LGTL
0.9518 ±0.0011
2
MixHop (LO)
0.9513 ±0.0038
3
GraphSAGE (LO)
0.9511 ±0.0036
18
GCN
actual #18 vs paper #779 761 places worse
0.9296 ±0.0015
best reported
actual #18 vs paper #779 761 places worse
paper 0.7561 ±0.0210
20
GAT
actual #20 vs paper #800 780 places worse
0.9233 ±0.0018
best reported
actual #20 vs paper #800 780 places worse
paper 0.7486 ±0.0187
116
SAGE
0.8881 ±0.0015
144
BGRL
actual #144 vs paper #793 649 places worse
0.8830 ±0.0010
best reported
actual #144 vs paper #793 649 places worse
paper 0.7529 ±0.0133
paper 0.7529 ±0.0133 Δ at pub 0.1301
157
GIN
actual #157 vs paper #844 687 places worse
0.8810
best reported
actual #157 vs paper #844 687 places worse
paper 0.6951 ±0.0687
paper 0.6951 ±0.0687 Δ at pub 0.1859
204
DGI
actual #204 vs paper #816 612 places worse
0.8708 ±0.0017
best reported
actual #204 vs paper #816 612 places worse
paper 0.7313 ±0.0064
210
MLP
0.8690 ±0.0074
232
GraphMAE
actual #232 vs paper #807 575 places worse
0.8594 ±0.0016
best reported
actual #232 vs paper #807 575 places worse
paper 0.7432 ±0.0033
310
GIANT
actual #310 vs paper #821 511 places worse
0.8275 ±0.0028
best reported
actual #310 vs paper #821 511 places worse
paper 0.7231 ±0.0053
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 →
Non-default metric. This paper reports Accuracy; the dataset default is MRR. Values below use Accuracy only.

Sorted by Accuracy. Highlighted rows are from other papers.

#ModelAccuracy ↑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
actual #11 vs paper #28 17 places worse
0.9387 ±0.0035
best reported
actual #11 vs paper #28 17 places worse
paper 0.7899 ±0.0048
paper 0.7899 ±0.0048 Δ at pub 0.1488
14
STEM-GNN
0.9234 ±0.0025
This paper
16
GFT
actual #16 vs paper #16
0.9191
best reported
actual #16 vs paper #16
paper 0.9119 ±0.0033
paper 0.9119 ±0.0033 Δ at pub 0.0072
18
GCN
actual #18 vs paper #30 12 places worse
0.8677 ±0.0030
best reported
actual #18 vs paper #30 12 places worse
paper 0.7379 ±0.0039
paper 0.7379 ±0.0039 Δ at pub 0.1298
19
GAT
actual #19 vs paper #28 9 places worse
0.8552 ±0.0012
best reported
actual #19 vs paper #28 9 places worse
paper 0.8016 ±0.0027
paper 0.8016 ±0.0027 Δ at pub 0.0536
21
GIANT
0.8436 ±0.0030
This paper
22
Linear
actual #22 vs paper #28 6 places worse
0.8433 ±0.0020
best reported
actual #22 vs paper #28 6 places worse
paper 0.7850 ±0.0059
paper 0.7850 ±0.0059 Δ at pub 0.0583
26
GraphSAGE
0.8298 ±0.0022
28
GIN
actual #28 vs paper #30 2 places worse
0.8025 ±0.0028
best reported
actual #28 vs paper #30 2 places worse
paper 0.7402 ±0.0055
paper 0.7402 ±0.0055 Δ at pub 0.0623
29
DGI
0.7575 ±0.0090
This paper
30
BGRL
0.7544 ±0.0030
This paper
SOTA performance (not significantly different from the best) Proposed method (this paper) Baseline / comparison (this paper) Global context (other papers) Best at pub — reported result worse than the best known when published (best reported in green)