Deep Prompt Tuning for Graph Transformers
Abstract
Graph transformers have gained popularity in various graph-based tasks by addressing challenges faced by traditional Graph Neural Networks. However, the quadratic complexity of self-attention operations and the extensive layering in graph transformer architectures present challenges when applying them to graph based prediction tasks. Fine-tuning, a common approach, is resource-intensive and requires storing multiple copies of large models. We propose a novel approach called deep graph prompt tuning as an alternative to fine-tuning for leveraging large graph transformer models in downstream graph based prediction tasks. Our method introduces trainable feature nodes to the graph and pre-pends task-specific tokens to the graph transformer, enhancing the model's expressive power. By freezing the pre-trained parameters and only updating the added tokens, our approach reduces the number of free parameters and eliminates the need for multiple model copies, making it suitable for small datasets and scalable to large graphs. Through extensive experiments on various-sized datasets, we demonstrate that deep graph prompt tuning achieves comparable or even superior performance to fine-tuning, despite utilizing significantly fewer task-specific parameters. Our contributions include the introduction of prompt tuning for graph transformers, its application to both graph transformers and message passing graph neural networks, improved efficiency and resource utilization, and compelling experimental results. This work brings attention to a promising approach to leverage pre-trained models in graph based prediction tasks and offers new opportunities for exploring and advancing graph representation learning.
Benchmark Results
Tested on 9 datasets 3 baseline values reported too low
Tables show presented results in global context (best 3 papers + GCN + MLP).
OGB
| # | Model | ROC-AUC ↑ | Paper |
|---|---|---|---|
| 1 | Multi-RF Fusion with Multi-GNN Blending | 0.8476
±0.0002 | |
| 2 | HyperFusion | 0.8475
±0.0003 | |
| 3 | PAS+FPs | 0.8420
±0.0015 | |
| 9 | GatedGCN | 0.8090
±0.0160 | This paper |
| 12 | GraphGPS FT | 0.8060
±0.0070 | This paper |
| 16 | Graphormer FT | 0.8050
±0.0050 | This paper |
| 17 | Graphormer DeepGPT | 0.8040
±0.0210 | This paper |
| 26 | GraphGPS DeepGPT | 0.8010
±0.0150 | This paper |
| 31 | LiGhT DeepGPT | 0.7990
±0.0100 | This paper |
| 62 | PNA | 0.7905
±0.0132 best reported | best at pub: Parameterized Hypercomplex Graph Neural Networks for Graph Classification (2021) best today: SigGate-GT: Taming Over-Smoothing in Graph Transformers via Sigmoid-Gated Attention (2026) Difference within reported uncertainty; not counted as underperformance. |
| 74 | LiGhT FT | 0.7870
±0.0080 | This paper |
| 109 | GIN | 0.7780
±0.0182 | |
| 220 | GINE | 0.7560
±0.0140 best reported | best at pub: Graph convolutions that can finally model local structure (2020) Difference within reported uncertainty; not counted as underperformance. |
| # | Model | AP ↑ | Paper |
|---|---|---|---|
| 1 | GRPE-Large | 0.3150
±0.0010 | |
| 2 | Graphormer | 0.3140 | |
| 3 | Graphormer-FLAG | 0.3139
±0.0032 | |
| 4 | Graphormer FT | 0.3130
±0.0030 | This paper |
| 8 | GraphGPS FT | 0.3010
±0.0130 | This paper |
| 13 | GraphGPS DeepGPT | 0.2970
±0.0200 | This paper |
| 17 | LiGhT FT | 0.2950
±0.0060 | This paper |
| 31 | GIN | 0.2902
±0.0017 | |
| 32 | Graphormer DeepGPT | 0.2890
±0.0090 | This paper |
| 38 | PNA | 0.2838
±0.0035 best reported | best at pub: Parameterized Hypercomplex Graph Neural Networks for Graph Classification (2021) |
| 55 | LiGhT DeepGPT | 0.2700
±0.0070 | This paper |
| 57 | GatedGCN | 0.2670
±0.0020 best reported | best today: Adaptive Canonicalization with Application to Invariant Anisotropic Geometric Networks (2025) Difference within reported uncertainty; not counted as underperformance. |
MoleculeNet
| # | Model | ROC-AUC ↑ | Paper |
|---|---|---|---|
| 1 | HIMP | 0.8740
±0.0050 | |
| 2 | GINE w/ VN | 0.8720
±0.0030 | |
| 3 | NaiveGINe+ K=3 w/ VN | 0.8700
±0.0040 | |
| 5 | GINE | 0.8668
±0.0077 best reported | |
| 11 | LiGhT FT | 0.8440
±0.0040 | This paper |
| 12 | LiGhT DeepGPT | 0.8430
±0.0040 | This paper |
| 14 | GCN | 0.8400
±0.0040 | |
| 22 | GraphGPS DeepGPT | 0.8320
±0.0120 | This paper |
| 21 | GraphGPS FT | 0.8320
±0.0090 | This paper |
| 39 | Graphormer DeepGPT | 0.8130
±0.0100 | This paper |
| 45 | GatedGCN | 0.8070
±0.0110 | prev best: A Generalization of ViT/MLP-Mixer to Graphs (ICML 2022) |
| 83 | PNA | 0.7930
±0.0150 | This paper |
| 338 | Graphormer FT | 0.5820
±0.0510 | This paper |
| # | Model | ROC-AUC ↑ | Paper |
|---|---|---|---|
| 1 | ProtoMol | 0.9140
±0.0030 | |
| 2 | MMSG | 0.9080
±0.0050 | |
| 3 | MemGNN | 0.9070 | |
| 5 | GraphGPS FT | 0.8980
±0.0200 | This paper |
| 8 | GraphGPS DeepGPT | 0.8920
±0.0220 | This paper |
| 15 | Graphormer DeepGPT | 0.8830
±0.0220 | This paper |
| 19 | LiGhT FT | 0.8800
±0.0120 | This paper |
| 26 | LiGhT DeepGPT | 0.8730
±0.0200 | This paper |
| 43 | GIN | 0.8646
±0.0081 | |
| 85 | PNA | 0.8450
±0.0210 | This paper |
| 101 | GatedGCN | 0.8330
±0.0130 | This paper |
| 278 | Graphormer FT | 0.7040
±0.0180 | This paper |
| 306 | GINE | 0.5990
±0.0450 | This paper |
| # | Model | ROC-AUC ↑ | Paper |
|---|---|---|---|
| 1 | SE(3)-I MPPH | 0.9930
±0.0040 | |
| 2 | KA-GCN | 0.9920
±0.0050 | |
| 3 | KA-GAT | 0.9910
±0.0050 | |
| 19 | GCN | 0.9130
±0.0170 | |
| 21 | GraphGPS FT | 0.9100
±0.0460 | This paper |
| 22 | GraphGPS DeepGPT | 0.9070
±0.0440 | This paper |
| 29 | GatedGCN | 0.8930
±0.0410 | This paper |
| 33 | Graphormer DeepGPT | 0.8840
±0.0300 | This paper |
| 48 | PNA | 0.8670
±0.0110 | This paper |
| 50 | LiGhT DeepGPT | 0.8620
±0.0560 | This paper |
| 54 | LiGhT FT | 0.8570
±0.0350 | This paper |
| 62 | Graphormer FT | 0.8390
±0.1140 | This paper |
| 236 | GINE | 0.5590
±0.0440 | This paper |
| # | Model | ROC-AUC ↑ | Paper |
|---|---|---|---|
| 1 | KA-GAT | 0.8470
±0.0020 | |
| 2 | KA-GCN | 0.8420
±0.0010 | |
| 3 | GraphKAN | 0.8370
±0.0010 | |
| 19 | LiGhT DeepGPT | 0.6710
±0.0110 | This paper |
| 20 | LiGhT FT | 0.6700
±0.0050 | This paper |
| 57 | Graphormer DeepGPT | 0.6460
±0.0030 | This paper |
| 66 | GIN | 0.6403
±0.0104 | |
| 144 | GraphGPS FT | 0.6100
±0.0050 | This paper |
| 145 | GraphGPS DeepGPT | 0.6090
±0.0200 | This paper |
| 185 | GatedGCN | 0.5990
±0.0150 | This paper |
| 208 | GINE | 0.5840
±0.0250 | This paper |
| 211 | PNA | 0.5830
±0.0120 | This paper |
| 233 | Graphormer FT | 0.5500
±0.0070 | This paper |
| # | Model | ROC-AUC ↑ | Paper |
|---|---|---|---|
| 1 | GeomGCL | 0.7630 | |
| 2 | LiGhT DeepGPT | 0.7570
±0.0110 | This paper |
| 3 | CoMPT | 0.7550 | |
| 7 | LiGhT FT | 0.7450
±0.0050 | This paper |
| 12 | GINE | 0.7410
±0.0040 best reported | best at pub: Graph convolutions that can finally model local structure (2020) |
| 15 | GraphGPS DeepGPT | 0.7350
±0.0050 | This paper |
| 14 | GCN | 0.7350
±0.0020 | |
| 17 | Graphormer DeepGPT | 0.7250
±0.0110 | This paper |
| 19 | GraphGPS FT | 0.7220
±0.0110 | This paper |
| 56 | GatedGCN | 0.6830
±0.0050 | This paper |
| 67 | PNA | 0.6730
±0.0080 | This paper |
| 76 | Graphormer FT | 0.6650
±0.0320 | This paper |
| # | Model | RMSE ↓ | Paper |
|---|---|---|---|
| 1 | Graphormer-SPIS | 0.4840
±0.0050 | |
| 2 | Graphormer-SPD | 0.4920
±0.0040 | |
| 3 | conan-FGW | 0.5140
±0.0190 | |
| 7 | GCN | 0.5640
±0.0150 | |
| 8 | LiGhT FT | 0.5650
±0.0410 | This paper |
| 11 | LiGhT DeepGPT | 0.5790
±0.0380 | This paper |
| 35 | GraphGPS DeepGPT | 0.6850
±0.1300 | This paper |
| 41 | GraphGPS FT | 0.7720
±0.1020 | This paper |
| 72 | Graphormer FT | 0.9250
±0.0610 | This paper |
| 76 | Graphormer DeepGPT | 0.9430
±0.0240 | This paper |
| 124 | GatedGCN | 1.3730
±0.2190 | This paper |
| 127 | PNA | 1.4630
±0.3410 | This paper |
| 151 | GINE | 3.0750
±1.0340 | This paper |
| # | Model | RMSE ↓ | Paper |
|---|---|---|---|
| 1 | SE(3)-I MPPH | 0.3540
±0.0530 | |
| 2 | ECFP-4 + RF | 0.5600
±0.0660 | |
| 3 | GPSE + GPS | 0.6820 | |
| 8 | LiGhT FT | 0.9550
±0.0510 | This paper |
| 11 | LiGhT DeepGPT | 0.9830
±0.0790 | This paper |
| 21 | GraphGPS FT | 1.3800
±0.2340 | This paper |
| 23 | GraphGPS DeepGPT | 1.4150
±0.2540 | This paper |
| 34 | Graphormer DeepGPT | 1.6680
±0.1140 | This paper |
| 35 | Graphormer FT | 1.6800
±0.0130 | This paper |
| 69 | GIN | 2.3460
±0.1220 | |
| 72 | PNA | 2.4790
±0.5560 | This paper |
| 79 | GatedGCN | 2.6850
±1.7660 | This paper |
| 125 | GINE | 6.9710
±3.8920 | This paper |
