Structure-preserving full- and low-rank exponential methods for the optimal control of Lindblad equations

Abstract

Optimal control of open quantum systems governed by the Lindblad master equation requires the repeated solution of forward and adjoint evolution equations. For large Hilbert spaces, these computations demand numerical methods that are structure-preserving, accurate, and computationally efficient, while remaining compatible with nonsmooth optimization techniques. In this work, a unified framework for optimal control of Lindblad equations is presented. The continuous optimality system is derived from the Pontryagin maximum principle and solved by a sequential quadratic Hamiltonian (SQH) method. Its numerical realization is based on second-order exponential midpoint propagators for the forward and adjoint Lindblad equations with time-dependent Hamiltonians. Full-rank schemes preserving the Hermitian and positive-semidefinite structure of the density matrix are developed together with low-rank formulations that substantially reduce storage requirements and computational cost. Rigorous error estimates are established for the full- and low-rank forward and adjoint propagators. Numerical experiments confirm the predicted convergence rates, demonstrate the effectiveness of the low-rank approximations, and illustrate the performance of the proposed FREM-SQH and LREM-SQH algorithms for optimal control problems with smooth and nonsmooth control costs.