Quantum Graph Attention Network: A Novel Quantum Multi-Head Attention Mechanism for Graph Learning
Abstract
We propose the Quantum Graph Attention Network (QGAT), a hybrid graph neural network that integrates variational quantum circuits into the attention mechanism. At its core, QGAT employs strongly entangling quantum circuits with amplitude-encoded node features to enable expressive nonlinear interactions. Distinct from classical multi-head attention that separately computes each head, QGAT leverages a single quantum circuit to simultaneously generate multiple attention coefficients. This quantum parallelism facilitates parameter sharing across heads, substantially reducing computational overhead and model complexity. Classical projection weights and quantum circuit parameters are optimized jointly in an end-to-end manner, ensuring flexible adaptation to learning tasks. Empirical results demonstrate QGAT's effectiveness in capturing complex structural dependencies and improved generalization in inductive scenarios, highlighting its potential for scalable quantum-enhanced learning across domains such as chemistry, biology, and network analysis. Furthermore, experiments confirm that quantum embedding enhances robustness against feature and structural noise, suggesting advantages in handling real-world noisy data. The modularity of QGAT also ensures straightforward integration into existing architectures, allowing it to easily augment classical attention-based models.
Benchmark Results
Tested on 5 datasets 5 baseline values reported too low
Tables show presented results in global context (best 3 papers + GCN + MLP).
Classic
| # | 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 | |
| 20 | GAT | 0.9233
±0.0018 best reported | |
| 210 | MLP | 0.8690
±0.0074 | |
| 332 | GATv2 | 0.8194
±0.0029 best reported | |
| 567 | QGAT | 0.7920
±0.0062 | This paper |
OGB
| # | Model | Accuracy ↑ | Paper |
|---|---|---|---|
| 1 | Jacobi | 0.8968 | |
| 2 | GPR | 0.8953 | |
| 3 | LEMP4HG | 0.8939 | |
| 4 | SAGE | 0.8933 | |
| 9 | GAT | 0.8829 best reported | |
| 97 | QGAT | 0.8210
±0.0231 | This paper |
| 134 | GATv2 | 0.8063
±0.0070 | prev best: Automatic Graph Topology-Aware Transformer (2024) Improvement within reported uncertainty; not highlighted. |
| 351 | MLP | 0.6605
±0.0020 |
| # | Model | Hits@50 ↑ | Paper |
|---|---|---|---|
| 1 | PROXI | 0.7650
±0.0027 | |
| 2 | OGB Leader | 0.7129
±0.0018 | |
| 3 | GIDN | 0.7096
±0.0055 | |
| 9 | GCN | 0.6621
±0.0033 | |
| 34 | GAT | 0.5643
±0.0086 best reported | best at pub: Asymmetric Learning for Graph Neural Network based Link Prediction (2023) |
| 57 | QGAT | 0.5120
±0.0192 | This paper |
| 65 | GATv2 | 0.4970
±0.0308 | This paper |
| 94 | MLP | 0.4438
±0.0347 |
| # | Model | MRR ↑ | Paper |
|---|---|---|---|
| 1 | CFG | 0.8997
±0.0015 | |
| 2 | SIEG | 0.8987
±0.0018 | |
| 3 | LPFormer | 0.8981
±0.0013 | |
| 12 | GCN | 0.8705
±0.0004 | |
| 35 | QGAT | 0.8220
±0.0127 | This paper |
| 41 | GATv2 | 0.8014
±0.0071 | This paper |
| 53 | GAT | 0.7595
±0.0131 | This paper |
| 71 | MLP | 0.3917
±0.0044 |
| # | Model | ROC-AUC ↑ | Paper |
|---|---|---|---|
| 1 | LD | 0.8942
±0.0007 | |
| 2 | X_WO/LD | 0.8915
±0.0012 | |
| 3 | X_PNE | 0.8894
±0.0014 | |
| 9 | GAT | 0.8682
±0.0021 best reported | best at pub: Training Graph Neural Networks with 1000 Layers (ICML 2021) |
| 16 | GraphSAGE | 0.8430 | |
| 28 | GATv2 | 0.7952
±0.0055 | This paper |
| 31 | QGAT | 0.7941
±0.0021 | This paper |
