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IEEE Transactions on Neural Networks and Learning Systems

A Quantum Spatial Graph Convolutional Neural Network Model on Quantum Circuits

Jin Yan Zheng, Qing Zhong Gao, MACIEJ J. OGORZAŁEK, Jinhu Lü, Yue Cheng Deng

Published Apr 15, 2024• 33 citations
Publisher

Abstract

This article proposes a quantum spatial graph convolutional neural network (QSGCN) model that is implementable on quantum circuits, providing a novel avenue to processing non-Euclidean type data based on the state-of-the-art parameterized quantum circuit (PQC) computing platforms. Four basic blocks are constructed to formulate the whole QSGCN model, including the quantum encoding, the quantum graph convolutional layer, the quantum graph pooling layer, and the network optimization. In particular, the trainability of the QSGCN model is analyzed through discussions on the barren plateau phenomenon. Simulation results from various types of graph data are presented to demonstrate the learning, generalization, and robustness capabilities of the proposed quantum neural network (QNN) model.

DOI
10.1109/tnnls.2024.3382174

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This article proposes a quantum spatial graph convolutional neural network (QSGCN) model that is implementable on quantum circuits, providing a novel avenue to processing non-Euclidean type data based on the state-of-the-art parameterized quantum circuit (PQC) computing platforms. Four basic blocks are constructed to formulate the whole QSGCN model, including the quantum encoding, the quantum graph convolutional layer, the quantum graph pooling layer, and the network optimization. In particular, the trainability of the QSGCN model is analyzed through discussions on the barren plateau phenomenon. Simulation results from various types of graph data are presented to demonstrate the learning, generalization, and robustness capabilities of the proposed quantum neural network (QNN) model.
At present, there are a large number of quantum neural network models to deal with Euclidean spatial data, while little research have been conducted on non-Euclidean spatial data. In this paper, we propose a novel quantum graph convolutional neural network (QGCN) model based on quantum parametric circuits and utilize the computing power of quantum systems to accomplish graph classification tasks in traditional machine learning. The proposed QGCN model has a similar architecture as the classical graph convolutional neural networks, which can illustrate the topology of the graph type data and efficiently learn the hidden layer representation of node features as well. Numerical simulation results on a graph dataset demonstrate that the proposed model can be effectively trained and has good performance in graph level classification tasks.
This paper proposes a new Quantum Spatial Graph Convolutional Neural Network (QSGCNN) model that can directly learn a classification function for graphs of arbitrary sizes. Unlike state-of-the-art Graph Convolutional Neural Network (GCNN) models, the proposed QSGCNN model incorporates the process of identifying transitive aligned vertices between graphs and transforms arbitrary sized graphs into fixed-sized aligned vertex grid structures. In order to learn representative graph characteristics, a new quantum spatial graph convolution is proposed and employed to extract multi-scale vertex features, in terms of quantum information propagation between grid vertices of each graph. Since the quantum spatial convolution preserves the grid structures of the input vertices (i.e., the convolution layer does not alter the original spatial position of vertices), the proposed QSGCNN model allows to directly employ the traditional convolutional neural network architecture to further learn from the global graph topology, providing an end-to-end deep learning architecture that integrates the graph representation and learning in the quantum spatial graph convolution layer and the traditional convolutional layer for graph classifications. We indicate the effectiveness of the proposed QSGCNN model in relation to existing state-of-the-art methods. Experiments on benchmark graph classification datasets demonstrate the effectiveness of the proposed QSGCNN model.
Graph Neural Networks (GNNs) achieve state-of-the-art performance on graph-structured data, but training and inference on large graphs are often bottlenecked by memory constraints and sparse linear-algebra workloads. Quantum computing offers an alternative set of primitives that may improve scalability for graph learning. Building on the quantum graph neural network (QGNN) framework of Liao \textit{et al.}, this work implements two representative architectures --- the Simplified Graph Convolution (SGC) and Linear Graph Convolution (LGC) models --- and evaluates them on open benchmark graph datasets and semi-supervised learning tasks using quantum simulation. We compare predictive performance and optimization behavior against classical baselines, showing that the quantum models achieve competitive performance with fewer parameters. Finally, we present a cost gradient analysis that identifies the tasks for which the models showcased are trainable. This is followed by a classical simulability study to find regimes in which the proposed circuits remain robust during training.
Recently, the implementation of quantum neural networks is based on noisy intermediate-scale quantum (NISQ) devices. Parameterized quantum circuit (PQC) is such the method, and its current design just can handle linear data classification. However, data in the real world often shows a topological structure. In the machine learning field, the classical graph convolutional layer (GCL)-based graph convolutional network (GCN) can well handle the topological data. Inspired by the architecture of a classical GCN, in this paper, to expand the function of the PQC, we design a novel PQC architecture to realize a quantum GCN (QGCN). More specifically, we first implement an adjacent matrix based on linear combination unitary and a weight matrix in a quantum GCL, and then by stacking multiple GCLs, we obtain the QGCN. In addition, we first achieve gradients decent on quantum circuit following the parameter-shift rule for a GCL and then for the QGCN. We evaluate the performance of the QGCN by conducting a node classification task on Cora dataset with topological data. The numerical simulation result shows that QGCN has the same performance as its classical counterpart, the GCN, in contrast, requires less tunable parameters. Compared to a traditional PQC, we also verify that deploying an extra adjacent matrix can significantly improve the classification performance for quantum topological data.
Abstract With the rapid advancement of quantum computing, the exploration of quantum graph neural networks is gradually emerging. However, the absence of a circuit framework for quantum implementation and limited physical qubits hinder their realization on real quantum computers. To address these challenges, this paper proposes a spatial‐based quantum graph convolutional neural network and implements it on a superconducting quantum computer. Specifically, this model exclusively consists of quantum circuits, including quantum aggregation circuits in the quantum graph convolutional layer and quantum classification circuits in the quantum dense layer. To meet the requirements of Noisy Intermediate‐Scale Quantum computing, a first‐order extraction method to reduce circuit size is employed. Experimental results in node classification tasks demonstrate that this model achieves comparable or even superior performance compared to classical graph neural networks while utilizing fewer parameters. Therefore, this model can inspire further advancements in quantum graph neural networks and facilitate their implementation on physical quantum devices.
Quantum neural networks (QNNs) hold immense potential for advanced machine learning, offering advantages in computation and representation compared to classical neural networks. However, designing effective QNN architectures requires careful consideration of the network structure and the learning process. This paper introduces Adaptive Quantum Graph Convolutional (AQGC), a novel quantum graph convolution algorithm that dynamically adjusts the weights of convolutional layers based on input data changes. The core mechanism involves a feedback loop that continuously recalibrates the weights to maintain optimal performance across diverse datasets. We demonstrate the effectiveness of AQGC through extensive experiments on benchmark datasets, showcasing its ability to significantly improve model generalization.