arXiv:2604.15273cs.LGquant-ph2026-04中稿 · IJCNN 2026被引 1

对比经典与量子导向嵌入在图分类中的表现,发现其效果依赖数据类型。

How Embeddings Shape Graph Neural Networks: Classical vs Quantum-Oriented Node Representations

  • 统一训练流程下比较经典与量子嵌入方法
  • 结构类数据中量子嵌入提升显著,社交网络则经典更优
  • 为选择量子嵌入提供可复现的实证参考

节点嵌入是图神经网络的信息接口,但其实际影响常在不同骨干网络、划分方式和训练预算下报告,缺乏可比性。本文在统一管道下对图分类任务中的嵌入选择进行受控基准测试,对比经典基线与量子导向节点表示,包括电路定义的变分嵌入及基于图算子和线性代数构造的量子启发嵌入。所有方法使用相同骨干网络、分层划分、一致优化策略与早停机制、统一评估指标。在五个TU数据集及通过目标分箱转换的QM9数据集上实验显示:量子导向嵌入在结构驱动任务中表现更稳定且收益明显,而属性有限的社交图仍由经典基线主导。研究揭示了归纳偏置、可训练性与稳定性之间的实用权衡,并为图学习中选择量子导向嵌入提供了可复现的参照点。

原文摘要 · Abstract (English)

Node embeddings act as the information interface for graph neural networks, yet their empirical impact is often reported under mismatched backbones, splits, and training budgets. This paper provides a controlled benchmark of embedding choices for graph classification, comparing classical baselines with quantum-oriented node representations under a unified pipeline. We evaluate two classical baselines alongside quantum-oriented alternatives, including a circuit-defined variational embedding and quantum-inspired embeddings computed via graph operators and linear-algebraic constructions. All variants are trained and tested with the same backbone, stratified splits, identical optimization and early stopping, and consistent metrics. Experiments on five different TU datasets and on QM9 converted to classification via target binning show clear dataset dependence: quantum-oriented embeddings yield the most consistent gains on structure-driven benchmarks, while social graphs with limited node attributes remain well served by classical baselines. The study highlights practical trade-offs between inductive bias, trainability, and stability under a fixed training budget, and offers a reproducible reference point for selecting quantum-oriented embeddings in graph learning.

图神经网络节点嵌入量子计算基准测试

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