Open Access publication in J. Phys. Commun.: Optimal control of large quantum systems: assessing memory and runtime performance of GRAPE


Quantum information processing has spurred interest in quantum optimal control for tasks such as state preparation, error correction, and realization of logical gates. Gradient Ascent Pulse Engineering (GRAPE) is a prominent technique for implementing quantum optimal control by adjusting parameters to minimize infidelity in state transfers or gate operations using gradient descent. Many efforts have be put in this subject to improve the performance of GRAPE. For example, automatic differentiation (AD) has been implemented for GRAPE for faster computation of the gradient while it requires significant memory for storing the computational graph. Semi-automatic differentiation (semi-AD) partially reduces memory overhead but may still be insufficient for large quantum systems. This motivates us to revisit the original GRAPE scheme, which is based on hard-coded gradients (HG) and has the smallest possible memory cost. Additionally, we present improvements to numerical state propagation to enhance runtime performance. By benchmarking runtime and memory usage, we compare the HG approach with AD-based implementations, with a particular focus on larger Hilbert space sizes. We then perform a scaling analysis of memory usage and runtime, developing a decision tree that facilitates the choice of optimal numerical strategy for GRAPE-based quantum optimal control. In the end, we illustrate the scaling behavior with benchmarks for concrete optimization tasks.

The paper can be found here.