Quantum Graph Attention Network: A Novel Quantum Multi-Head Attention Mechanism for Graph Learning

An Ning, Tai-Yue Li, Nan-Yow Chen

Main figure for 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.

Proposed method: QGAT

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

#ModelAccuracy ↑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
actual #20 vs paper #668 648 places worse
0.9233 ±0.0018
best reported
actual #20 vs paper #668 648 places worse
paper 0.7810 ±0.0059
210
MLP
0.8690 ±0.0074
332
GATv2
actual #332 vs paper #632 300 places worse
0.8194 ±0.0029
best reported
actual #332 vs paper #632 300 places worse
paper 0.7850 ±0.0038
567
QGAT
0.7920 ±0.0062
This paper

OGB

#ModelAccuracy ↑Paper
1
Jacobi
0.8968
2
GPR
0.8953
3
LEMP4HG
0.8939
4
SAGE
0.8933
9
GAT
actual #9 vs paper #186 177 places worse
0.8829
best reported
actual #9 vs paper #186 177 places worse
paper 0.7904 ±0.0154
paper 0.7904 ±0.0154 Δ at pub 0.0925
97
QGAT
0.8210 ±0.0231
This paper
134
GATv2
actual #134 vs paper #134
0.8063 ±0.0070
actual #134 vs paper #134
paper 0.8063 ±0.0070

Improvement within reported uncertainty; not highlighted.

paper 0.8063 ±0.0070 Δ at pub 0.0217
351
MLP
0.6605 ±0.0020
#ModelHits@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
actual #34 vs paper #86 52 places worse
0.5643 ±0.0086
best reported
actual #34 vs paper #86 52 places worse
paper 0.4663 ±0.0280
paper 0.4663 ±0.0280 Δ at pub 0.0980
57
QGAT
0.5120 ±0.0192
This paper
65
GATv2
0.4970 ±0.0308
This paper
94
MLP
0.4438 ±0.0347
#ModelMRR ↑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
#ModelROC-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
actual #9 vs paper #37 28 places worse
0.8682 ±0.0021
best reported
actual #9 vs paper #37 28 places worse
paper 0.7863 ±0.0162
paper 0.7863 ±0.0162 Δ at pub 0.0819
16
GraphSAGE
0.8430
28
GATv2
0.7952 ±0.0055
This paper
31
QGAT
0.7941 ±0.0021
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)