Permutation-Invariant Quantum Graph Neural Network Based on Variational Quantum Algorithms.

Abstract

Graph neural networks (GNNs) have demonstrated strong capabilities in graph representation learning but still face limitations in efficiency and scalability. Quantum GNNs (QGNNs) offer a promising alternative. However, existing approaches often fail to fully exploit edge information, require substantial quantum resources, and insufficiently account for permutation invariance in graph learning. To address these challenges, this article proposes a permutation-invariant quantum GNN (PIQGNN). The proposed model introduces a low-qubit-cost quantum encoding strategy that jointly embeds node features, edge features, and graph topology into entangled quantum states using only $n$ qubits, where $n$ denotes the number of nodes, while explicitly enforcing permutation invariance. Furthermore, a symmetry-aware variational quantum neural network (QNN) is designed to enable end-to-end permutation-invariant learning. Its hyperparameters are optimized via Bayesian optimization to alleviate barren plateau (BP) effects and enhance training stability. Experimental results on multiple graph binary classification benchmark datasets demonstrate that, compared with classical GNNs, PIQGNN achieves competitive performance with a significantly reduced number of trainable parameters. Compared with existing QGNNs, PIQGNN attains higher accuracy with lower quantum resource requirements and exhibits stronger robustness under noisy conditions. These results indicate that PIQGNN provides an efficient, scalable, and noise-resilient quantum framework for graph learning, highlighting its practical potential in the noisy intermediate-scale quantum (NISQ) era.