Tuning Quantum MPS

Matrix Product State (MPS) methods are among the most effective approaches for the classical simulation of quantum circuits, but their practical performance depends strongly on simulator hyperparameters, and default settings are often suboptimal. In this work, we propose a two-stage framework for automatic hyperparameter selection for quantum MPS simulation. In the first stage, we perform offline single-objective CMA-ES optimization under a fidelity constraint and construct a database of circuit--configuration--performance evaluations. In the second stage, we define a set of static circuit features designed to capture MPS-relevant structural properties and train a circuit-aware hybrid ranking model to recommend configurations for different quantum circuits. We evaluate the approach on multiple scalable circuit families using leave-one-family-out and size-based validation. The results show that offline optimization often improves over default settings, although the magnitude of the gain depends strongly on the backend, circuit family, and circuit scale. The learned predictor recovers a meaningful fraction of this gain, with better performance under size-based validation than under family-based transfer, but generally remains below the offline optimum.