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.
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.
Graph Neural Networks (QGNNs) offer a promising approach to combining quantum computing with graph-structured data processing. While classical Graph Neural Networks (GNNs) are scalable and robust, existing QGNNs often lack flexibility due to graph-specific quantum circuit designs, limiting their applicability to diverse real-world problems. To address this, we propose a versatile QGNN framework inspired by GraphSAGE, using quantum models as aggregators to generate quantum-native node embeddings. We integrate inductive representation learning techniques with parameterized quantum convolutional and pooling layers, bridging classical and quantum paradigms. The convolutional layer is flexible, allowing tailored designs for specific tasks. Benchmarked on a node regression task with the QM9 dataset, our framework, using a single minimal circuit for all aggregation steps, handles molecules with varying numbers of atoms without changing qubits or circuit architecture. While classical GNNs achieve higher training performance, our quantum approach remains competitive and often shows enhanced generalization as molecular complexity increases. We also observe faster learning in early training epochs. To mitigate trainability limitations of a single-circuit setup, we extend the framework with multiple quantum aggregators on QM9. Assigning distinct circuits to each hop substantially improves training performance across all cases. Additionally, we numerically demonstrate the absence of barren plateaus as qubit numbers increase, suggesting that the proposed model remains trainable to larger, more complex graph-based problems.
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.
Abstract Quantum machine learning is one of the most promising applications of quantum computing in the noisy intermediate-scale quantum (NISQ) era. We propose a quantum convolutional neural network(QCNN) inspired by convolutional neural networks (CNN), which greatly reduces the computing complexity compared with its classical counterparts, with O (( log 2 M ) 6 ) basic gates and O ( m 2 + e ) variational parameters, where M is the input data size, m is the filter mask size, and e is the number of parameters in a Hamiltonian. Our model is robust to certain noise for image recognition tasks and the parameters are independent on the input sizes, making it friendly to near-term quantum devices. We demonstrate QCNN with two explicit examples. First, QCNN is applied to image processing, and numerical simulation of three types of spatial filtering, image smoothing, sharpening, and edge detection is performed. Secondly, we demonstrate QCNN in recognizing image, namely, the recognition of handwritten numbers. Compared with previous work, this machine learning model can provide implementable quantum circuits that accurately corresponds to a specific classical convolutional kernel. It provides an efficient avenue to transform CNN to QCNN directly and opens up the prospect of exploiting quantum power to process information in the era of big data.
The rapid growth in the size of Graph Convolutional Neural Networks (GCNs) encounters both computational- and memory-wall on classical computing platforms (e.g., CPU, GPU, FPGA, etc.). Quantum computing, on the other hand, provides extremely high parallelism for computation. Although quantum neural networks have been recently studied, the research on quantum graph neural networks is still in its infancy. The key challenge here is how to integrate both the graph topology information and the learning ability of GCNs into quantum circuits. In this work, we leverage the Givens rotations and its quantum implementation to encode graph information; in addition, we employ the widely used variational quantum circuit to bring the learnable parameters. On top of these, we present a full-quantum design of Graph Convolutional Neural Networks, namely "QuGCN", for semi-supervised learning on graph-structured data. Experiment results show our design is competitive with classical GCNs in terms of node classification accuracy on Cora sub-dataset. More importantly, we show the potential advantages that can be achieved by the proposed quantum GCN design when the number of features grows.
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) are powerful machine learning models that excel at analyzing structured data represented as graphs, demonstrating remarkable performance in applications like social network analysis and recommendation systems. However, classical GNNs face scalability challenges when dealing with large-scale graphs. This paper proposes frameworks for implementing GNNs on quantum computers to potentially address the challenges. We devise quantum algorithms corresponding to the three fundamental types of classical GNNs: Graph Convolutional Networks, Graph Attention Networks, and Message-Passing GNNs. A complexity analysis of our quantum implementation of the Simplified Graph Convolutional (SGC) Network shows potential quantum advantages over its classical counterpart, with significant improvements in time and space complexities. Our complexities can have trade-offs between the two: when optimizing for minimal circuit depth, our quantum SGC achieves logarithmic time complexity in the input sizes (albeit at the cost of linear space complexity). When optimizing for minimal qubit usage, the quantum SGC exhibits space complexity logarithmic in the input sizes, offering an exponential reduction compared to classical SGCs, while still maintaining better time complexity. These results suggest our Quantum GNN frameworks could efficiently process large-scale graphs. This work paves the way for implementing more advanced Graph Neural Network models on quantum computers, opening new possibilities in quantum machine learning for analyzing graph-structured data.