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Workshop: NeurIPS 2023 Workshop: Machine Learning and the Physical Sciences

QDC: Quantum Diffusion Convolution Kernels on Graphs

Thomas Markovich


Graph convolutional neural networks (GCNs) operate by aggregating messages over local neighborhoods given the prediction task under interest. Many GCNs can be understood as a form of generalized diffusion of input features on the graph, and significant work has been dedicated to improving predictive accuracy by altering the ways of message passing. In this work, we propose a new convolution kernel that effectively rewires the graph according to the occupation correlations of the vertices by trading on the generalized diffusion paradigm for the propagation of a quantum particle over the graph. We term this new convolution kernel the Quantum Diffusion Convolution (QDC) operator. Through experiments on a range of datasets, we observe that QDC improves predictive performance on the widely used benchmark datasets when compared to similar methods.

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