arXiv:2508.17630cs.LG2025-08被引 5

用量子电路实现多头注意力,提升图学习效率与抗噪能力

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

  • 用量子电路并行生成多个注意力系数,减少参数量
  • 在化学和生物数据上表现更好,对噪声更鲁棒
  • 可插件式接入现有模型,适合想尝试量子增强的开发者

我们提出量子图注意力网络(QGAT),一种将变分量子电路融入注意力机制的混合图神经网络。QGAT利用强纠缠量子电路与幅度编码的节点特征,实现表达性强的非线性交互。不同于经典多头注意力分别计算每个头,QGAT通过单个量子电路同时生成多个注意力系数,借助量子并行性实现头间参数共享,显著降低计算开销与模型复杂度。经典投影权重与量子电路参数端到端联合优化,灵活适应不同任务。实验表明,QGAT能有效捕捉复杂结构依赖,在归纳场景下泛化性能更优,展现出在化学、生物及网络分析等领域的可扩展量子增强学习潜力。此外,量子嵌入提升了对特征与结构噪声的鲁棒性,适合处理真实世界噪声数据。QGAT模块化设计使其易于集成至现有架构,可便捷增强经典注意力模型。

原文摘要 · Abstract (English)

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.

量子机器学习图神经网络注意力机制

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