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Lobachevskii Journal of Mathematics

On the Analysis of Quantum Control Landscapes Using Gradient Projection Method and Pontryagin Maximum Principle

Alexander Nikolaevich Pechen

Published Jun 1, 2025• 7 citations
Publisher

Abstract

In this work, we consider the problem of the analysis of quantum control landscapes in both situations when the controls during optimization are unconstrained and when they should satisfy a given constraint, for example their amplitude should be bounded by some constant value. For the analysis of unconstrained quantum control landscapes, a special approach was developed in [Pechen and Tannor, Israel J. of Chemistry 52 (5), 467–472 (2012)] based on a fixed step gradient ascent pulse engineering (GRAPE) algorithm. Here we also adopt a GRAPE approach based on the Pontryagin maximum principle (PMP). For the analysis of the constrained quantum control landscapes, we adopt the gradient projection method which was developed for quantum systems in [A. Oza et al., J. Phys. A: Math. Theor. 42, 205305 (2009)] (GPM; for our purpose the most suitable is a one-step GPM with a fixed step), both for closed and open quantum systems. As an explicit example, we apply these approaches to study quantum control landscape for optimization of an observable mean value for a three-level degenerate $$\Xi$$ -system system having a seventh-order trap.

DOI
10.1134/s1995080225607957

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In this work, we consider the problem of the analysis of quantum control landscapes in both situations when the controls during optimization are unconstrained and when they should satisfy a given constraint, for example their amplitude should be bounded by some constant value. For the analysis of unconstrained quantum control landscapes, a special approach was developed in [Pechen and Tannor, Israel J. of Chemistry 52 (5), 467–472 (2012)] based on a fixed step gradient ascent pulse engineering (GRAPE) algorithm. Here we also adopt a GRAPE approach based on the Pontryagin maximum principle (PMP). For the analysis of the constrained quantum control landscapes, we adopt the gradient projection method which was developed for quantum systems in [A. Oza et al., J. Phys. A: Math. Theor. 42, 205305 (2009)] (GPM; for our purpose the most suitable is a one-step GPM with a fixed step), both for closed and open quantum systems. As an explicit example, we apply these approaches to study quantum control landscape for optimization of an observable mean value for a three-level degenerate Ξ\XiΞ -system system having a seventh-order trap.
Methods of optimization and control of quantum systems are widely used for various applications in quantum technologies including laser control of chemical reactions, nuclear magnetic resonance, gate generation for quantum computing, describing quantum transport in photosynthesis, etc. Among many topics in quantum control, we briefly outline Riemannian optimization and gradient projection method (GPM) on complex Stiefel manifolds and their relation to quantum control, as well as various related optimization tools such as incoherent GRAPE (InGRAPE) modification of the gradient ascent pulse engineering (GRAPE) algorithm, GPM in the dynamic picture for constrained optimization, and demonstrate operation of GRAPE and GPM for an investigation of the optimization efficiency over unconstrained and constrained quantum control landscapes for an example of a three-level Ξ\Xi Ξ -system having a seventh-order trap.1
Abstract In this work, we adopt the gradient projection method (GPM) to problems of quantum control. For general N-level closed and open quantum systems, we derive the corresponding adjoint systems and gradients of the objective functionals and provide the projection versions of the Pontryagin maximum principle and the GPM, all directly in terms of quantum objects such as evolution operator, Hamiltonians, density matrices, etc. Various forms of the GPM, including one- and two-step, are provided and compared. We formulate the GPM both for closed and open quantum systems, latter for the general case with simultaneous coherent and incoherent controls. The GPM is designed to perform local gradient based optimization in the case when bounds are imposed on the controls. The main advantage of the method is that it allows to exactly satisfy the bounds, in difference to other approaches such as adding constraints as weight to an objective. We apply the GPM to several examples including generation of one- and two-qubit gates and two-qubit Bell and Werner states for models of superconducting qubits under the constraint when controls are zero at the initial and final times, steering an open quantum system to a target density matrix for simulating action of the Werner–Holevo channel, etc.
In this work, we consider a general method for numerically comparing the efficiency of optimization over control landscapes with different trapping features, both for unconstrained (using GRAPE) and constrained (using gradient projection method) optimization. Traps are controls which locally appear optimal while not being globally optimal. Such controls can significantly affect the efficiency of finding controls close to optimal with local search, e.g. gradient-based, algorithms. As an explicit example, we apply the general method to study unconstrained control landscapes for two three-level quantum Ξ\Xi Ξ systems which are widely used in quantum optics and known to have different trapping features: a non-degenerate Ξ\Xi Ξ -system for which the null control is a third-order trap, and a degenerate Ξ\Xi Ξ -system for which the null control is a seventh-order trap. Using the general approach, we perform a comparative study of the impact of the null control on the efficiency of optimization and estimate the dependence of this impact on the maximal allowed number of iterations to check how the optimization is sensitive to this number. The results show that while quantitative behavior is different, the qualitative difference between the two control landscapes remains similar.
In this work, we perform an analytical and numerical analysis of quantum landscapes for controlling special four-level quantum systems for which we prove that the null control is a five-order trap: a V−VV-VV−V system and an anharmonic system. As a control goal, an observable optimization is considered. The rigorous theoretical analysis is followed by the numerical experiments based on the GRadient Ascent Pulse Engineering (GRAPE) algorithm and Gradient Projection Method (GPM), performed to investigate the behavior of the efficiency of optimization for unconstrained (using GRAPE) and constrained (using GPM) controls. As the main result, we observe an interesting phenomenon with a diverse behavior of the optimization efficiency depending on the system Hamiltonian -- sharp increase of the optimization efficiency up to 100% at certain distance from the null control for a V-V system, while much slower and less significant increase (and even small decrease) for a system with the chain interaction. This sharp difference might be related with the fine structure of the subspace of controls where second derivative of the objective functional is zero.
We introduce the MAGICARP algorithm, a numerical optimization method for quantum optimal control problems that combines the structure provided by Pontryagin's Maximum Principle (PMP) and the robustness of gradient ascent techniques, such as GRAPE. MAGICARP is formulated as a "shooting technique", aiming to determine the appropriate initial adjoint momentum to realize a target quantum gate. This method naturally incorporates time and energy optimal constraints through a PMP-informed pulse structure. We demonstrate MAGICARP's effectiveness through illustrative numerical examples, comparing its performance to GRAPE and highlighting its advantages in specific scenarios.
Optimal Control Theory is a powerful mathematical tool, which has known a rapid development since the 1950s, mainly for engineering applications. More recently, it has become a widely used method to improve process performance in quantum technologies by means of highly efficient control of quantum dynamics. This tutorial aims at providing an introduction to key concepts of optimal control theory which is accessible to physicists and engineers working in quantum control or in related fields. The different mathematical results are introduced intuitively, before being rigorously stated. This tutorial describes modern aspects of optimal control theory, with a particular focus on the Pontryagin Maximum Principle, which is the main tool for determining open-loop control laws without experimental feedback. The different steps to solve an optimal control problem are discussed, before moving on to more advanced topics such as the existence of optimal solutions or the definition of the different types of extremals, namely normal, abnormal, and singular. The tutorial covers various quantum control issues and describes their mathematical formulation suitable for optimal control. The connection between the Pontryagin Maximum Principle and gradient-based optimization algorithms used for high-dimensional quantum systems is described. The optimal solution of different low-dimensional quantum systems is presented in detail, illustrating how the mathematical tools are applied in a practical way.