This paper proposes a novel Quantum Spatial Graph Convolutional Neural Network (QSGCNN) model that can directly learn a classification function for graphs of arbitrary sizes. The main idea is to define a new quantum-inspired spatial graph convolution associated with pre-transformed fixed-sized aligned grid structures of graphs, in terms of quantum information propagation between grid vertices of each graph. We show that the proposed QSGCNN model can significantly reduce either the information loss or the notorious tottering problem arising in existing spatially-based Graph Convolutional Network (GCN) models. Experiments on benchmark graph datasets demonstrate the effectiveness of the proposed QSGCNN model.
This paper proposes a novel Quantum Spatial Graph Convolutional Neural Network (QSGCNN) model that can directly learn a classification function for graphs of arbitrary sizes. The main idea is to define a new quantum-inspired spatial graph convolution associated with pre-transformed fixed-sized aligned grid structures of graphs, in terms of quantum information propagation between grid vertices of each graph. We show that the proposed QSGCNN model can significantly reduce either the information loss or the notorious tottering problem arising in existing spatially-based Graph Convolutional Network (GCN) models. Experiments on benchmark graph datasets demonstrate the effectiveness of the proposed QSGCNN model.
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.
The data generated from non-Euclidean domains and its graphical representation (with complex-relationship object interdependence) applications has observed an exponential growth. The sophistication of graph data has posed consequential obstacles to the existing machine learning algorithms. In this study, we have considered a revamped version of a semi-supervised learning algorithm for graph-structured data to address the issue of expanding deep learning approaches to represent the graph data. Additionally, the quantum information theory has been applied through Graph Neural Networks (GNNs) to generate Riemannian metrics in closed-form of several graph layers. In further, to pre-process the adjacency matrix of graphs, a new formulation is established to incorporate high order proximities. The proposed scheme has shown outstanding improvements to overcome the deficiencies in Graph Convolutional Network (GCN), particularly, the information loss and imprecise information representation with acceptable computational overhead. Moreover, the proposed Quantum Graph Convolutional Network (QGCN) has significantly strengthened the GCN on semi-supervised node classification tasks. In parallel, it expands the generalization process with a significant difference by making small random perturbations of the graph during the training process. The evaluation results are provided on three benchmark datasets, including Citeseer, Cora, and PubMed, that distinctly delineate the superiority of the proposed model in terms of computational accuracy against state-of-the-art GCN and three other methods based on the same algorithms in the existing literature.
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.
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.
Graph Neural Networks (GNNs) have established themselves as powerful tools for learning from graph-structured data. However, their reliance on local message-passing mechanisms leads to over-squashing-the compression of exponentially growing neighborhood information into fixed-size vectors-which severely limits long-range dependency modeling. We introduce the Quantum-Inspired Graph Neural Network (QGNN) with a novel Quantum Entanglement Loss (QEL) function that addresses this challenge through a fundamentally different mechanism than existing approaches. Unlike spectral regularization (which enforces smoothness) or maximum entropy methods (which encourage representation diversity), QEL minimizes the von Neumann entropy of the node embedding correlation matrix, thereby concentrating eigenvalues in dominant eigenmodes that preserve global structural patterns. This entropy minimization creates direct information pathways between distant but functionally related nodes, effectively bypassing multi-hop bottlenecks. We evaluate QGNN on both standard benchmarks (Cora, Citeseer, PPI, Electronic Circuits) and the Long Range Graph Benchmark (LRGB) suite, which features graphs with average diameters up to 56.99 (Peptides). On LRGB datasets, QGNN achieves substantial improvements: 37.6% relative MAE reduction on Peptides-struct compared to GCN, 4.0% improvement over Graph Transformers (GraphGPS), and notably, 97% better performance than GCN on node pairs separated by 7+ hops. Despite these gains, QGNN requires only 20-30% additional computational overhead compared to standard GCN, while being 5-6 × faster than Graph Transformer approaches. Our results establish entropy-based regularization as a principled and efficient approach for long-range dependency modeling in graphs.
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.