Capturing Symmetries of Quantum Optimization Algorithms Using Graph Neural Networks

Quantum optimization algorithms are some of the most promising algorithms expected to show a quantum advantage. When solving quadratic unconstrained binary optimization problems, quantum optimization algorithms usually provide an approximate solution. The solution quality, however, is not guaranteed to be good enough to warrant selecting it over the classical optimizer solution, as it depends on the problem instance. Here, we present an algorithm based on a graph neural network that can choose between a quantum optimizer and classical optimizer using performance prediction. In addition, we present an approach that predicts the optimal parameters of a variational quantum optimizer. We tested our approach with a specific quantum optimizer, the quantum approximate optimization algorithm, applied to the Max-Cut problem, which is an example of a quadratic unconstrained binary optimization problem. We observed qualitatively and quantitatively that graph neural networks are suited for a performance prediction of up to nine-vertex Max-Cut instances with a quantum approximate optimization algorithm with a depth of up to three. For the performance prediction task, the average difference between the actual quantum algorithm performance and the predicted performance is below 19.7% and, for the parameter prediction task, the solution using the predicted parameters is within 2.7% of the optimal parameter solution. Our method therefore has the capacity to find problems that are best suited for quantum solvers. The proposed method and the corresponding algorithm can be used for hybrid quantum algorithm selection.