用量子电路实现高效图神经网络卷积与压缩,提升几何结构敏感任务表现。
Learnable quantum spectral filters for hybrid graph neural networks
- 基于拉普拉斯算子构造可学习量子傅里叶电路,连接由图邻接矩阵决定。
- 仅用 log(N) 个量子比特实现多项式深度电路,将 N 维信号压缩至 n 维。
- 量子层参数少(1-100),配合少量经典层,对几何结构强的任务效果更优。
本文提出一种参数化量子电路,可作为图神经网络的卷积与池化层。该电路基于量子傅里叶变换(QFT),其受控门连接由图的拉普拉斯算子决定。对于 N×N 的拉普拉斯矩阵,该方法可构建近似多项式深度电路,仅需 n=log(N) 个量子比特。该电路能避免传统方法中通过切比雪夫或泰勒展开计算拉普拉斯函数所需的昂贵经典计算。作为卷积层,电路输出一个 n 维概率向量,可视为过滤并压缩后的图信号。结合测量操作,该过程实现了高效的卷积+池化,将 N 维输入信号压缩至 n 维,实现指数级压缩。随后使用经典神经网络预测头构建完整图神经网络。由于电路基于图结构连接,我们在 TUDataset 基准数据集上进行图分类实验。在仅使用 1-100 个可学习参数的量子电路和 1000-5000 个参数的经典层的通用设置下,结果可媲美甚至优于多个基线模型,尤其在几何结构起关键作用的任务中表现突出。
原文摘要 · Abstract (English)
In this paper, we describe a parameterized quantum circuit that can be considered as convolutional and pooling layers for graph neural networks. The circuit incorporates the parameterized quantum Fourier circuit where the qubit connections for the controlled gates derived from the Laplacian operator. Specifically, we show that the eigenspace of the Laplacian operator of a graph can be approximated by using QFT based circuit whose connections are determined from the adjacency matrix. For an $N\times N$ Laplacian, this approach yields an approximate polynomial-depth circuit requiring only $n=log(N)$ qubits. These types of circuits can eliminate the expensive classical computations for approximating the learnable functions of the Laplacian through Chebyshev polynomial or Taylor expansions. Using this circuit as a convolutional layer provides an $n-$ dimensional probability vector that can be considered as the filtered and compressed graph signal. Therefore, the circuit along with the measurement can be considered a very efficient convolution plus pooling layer that transforms an $N$-dimensional signal input into $n-$dimensional signal with an exponential compression. We then apply a classical neural network prediction head to the output of the circuit to construct a complete graph neural network. Since the circuit incorporates geometric structure through its graph connection-based approach, we present graph classification results for the benchmark datasets listed in TUDataset library. Using only [1-100] learnable parameters for the quantum circuit and minimal classical layers (1000-5000 parameters) in a generic setting, the obtained results are comparable to and in some cases better than many of the baseline results, particularly for the cases when geometric structure plays a significant role.
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