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arXiv:2610.09403

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

Hao Chen, Alfio Borzı̀

Published Oct 7, 2026• 0 citations
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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.

DOI
10.48550/arxiv.2610.09403

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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.
The Lindblad equation is a widely used quantum master equation to model the dynamical evolution of open quantum systems whose states are described by density matrices. This equation is also a fundamental building block to design optimal control functions. In this paper we develop full- and low-rank exponential midpoint integrators for solving both the forward and adjoint Lindblad equations. These schemes are applicable to optimize-then-discretize approaches for optimal control of open quantum systems. We show that the proposed schemes preserve positivity and trace unconditionally. Furthermore, convergence of these numerical schemes is proved theoretically and verified numerically.
Abstract. The Lindblad equation is a widely used quantum master equation to model the dynamical evolution of open quantum systems whose states are described by density matrices. These solution matrices are characterized by semipositiveness and trace preserving properties, which must be guaranteed in any physically meaningful numerical simulation. In this paper, novel full- and low-rank exponential Euler integrators are developed for approximating the Lindblad equation that preserve positivity and trace unconditionally. Theoretical results are presented that provide sharp error estimates for the two classes of exponential integration methods. Results of numerical experiments are discussed that illustrate the effectiveness of the proposed schemes, beyond present state-of-the-art capabilities.
We develop a discrete Pontryagin Maximum Principle (PMP) for controlled open quantum systems governed by Lindblad dynamics, and introduce a second--order \emph{contact Lie--group variational integrator} (contact LGVI) that preserves both the CPTP (completely positive and trace--preserving) structure of the Lindblad flow and the contact geometry underlying the discrete PMP. A type--II discrete contact generating function produces a strict discrete contactomorphism under which the state, costate, and cost propagate in exact agreement with the variational structure of the discrete contact PMP. We apply this framework to the optimal control of a dissipative qubit and compare it with a non--geometric explicit RK2 discretization of the Lindblad equation. Although both schemes have the same formal order, the RK2 method accumulates geometric drift (loss of trace, positivity violations, and breakdown of the discrete contact form) that destabilizes PMP shooting iterations, especially under strong dissipation or long horizons. In contrast, the contact LGVI maintains exact CPTP structure and discrete contact geometry step by step, yielding stable, physically consistent, and geometrically faithful optimal control trajectories.
Numerical simulation of quantum computing hardware and open quantum systems governed by the Lindblad equation is challenging due to the high dimensionality of the density matrix and the need to preserve fundamental physical properties. In our previous work, we developed an arbitrary-order, low-rank, completely positive and trace preserving (CPTP) method for the Lindblad equation with time-dependent Hamiltonians by nested Picard iteration (NPI). In this work, we develop Gregory NPI schemes, which are CPTP schemes constructed by Gregory-type quadrature on equispaced nodes. The methods, which are of order up to nine, substantially reduce the computational cost compared to our previously proposed NPI schemes with Gaussian quadrature rules, while retaining high-order accuracy and structure preservation. We analyze the stability of the resulting scheme for a physics-based test equation. Numerical experiments verify the convergence of the method and demonstrate the effectiveness of the low-rank approximation. We study the performance of a previously constructed CNOT gate for both closed and open quantum systems.
We introduce low-rank optimal control (LROC), a method for designing control pulses in open quantum systems whose full density-matrix simulation is prohibitively expensive. The method exploits a feature of quantum computing itself: because protocols are designed to preserve purity, the density matrix is dominated by a few pure states and admits an accurate low-rank factorization. LROC propagates only this factorized form and, by deriving the corresponding adjoint equation, obtains the gradient of any differentiable objective at the same reduced cost as the simulation, leading to a quadratic improvement in time and memory compared to the full master equation. We illustrate the breadth of the method on four superconducting-circuit tasks: preparation of a five-qubit GHZ state, a CNOT gate, qubit readout, and an error correction primitive, modeled with realistic multilevel transmons, decay, and strong drives, in each case reaching fidelities consistent with the intrinsic dissipation limits. LROC thereby extends pulse-level optimization to system sizes beyond the reach of existing gradient-based methods.
This paper presents a class of structure-preserving numerical methods for quantum optimal control problems, based on commutator-free Cayley integrators. Starting from the Krotov framework, we reformulate the forward and backward propagation steps using Cayley-type schemes that preserve unitarity and symmetry at the discrete level. This approach eliminates the need for matrix exponentials and commutators, leading to significant computational savings while maintaining higher-order accuracy. We first recall the standard linear setting and then extend the formulation to nonlinear Schrödinger and Gross-Pitaevskii equations using a Cayley-polynomial interpolation strategy. Numerical experiments on state-transfer problems illustrate that the CF-Cayley method achieves the same accuracy as high-order exponential or Cayley-Magnus schemes at substantially lower cost, especially for longtime or highly oscillatory dynamics. In the nonlinear regime, the structure-preserving properties of the method ensure stability and norm conservation, making it a robust tool for large-scale quantum control simulations. The proposed framework thus bridges geometric integration and optimal control, offering an efficient and reliable alternative to existing exponential-based propagators.