Searching for quantum optimal controls in the presence of singular critical points.
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Abstract Gradient Ascent Pulse Engineering (GRAPE) is a popular technique in quantum optimal control, and can be combined with automatic differentiation (AD) to facilitate on-the-fly evaluation of cost-function gradients. We illustrate that the convenience of AD comes at a significant memory cost due to the cumulative storage of a large number of states and propagators. For quantum systems of increasing Hilbert space size, this imposes a significant bottleneck. We revisit the strategy of hard-coding gradients in a scheme that fully avoids propagator storage and significantly reduces memory requirements. Separately, we present improvements to numerical state propagation to enhance runtime performance. We benchmark runtime and memory usage and compare this approach to AD-based implementations, with a focus on pushing towards larger Hilbert space sizes. The results confirm that the AD-free approach facilitates the application of optimal control for large quantum systems which would otherwise be difficult to tackle.
This paper reveals an important role that controllability plays in the complexity of optimizing quantum control dynamics. We show that the loss of controllability generally leads to multiple locally suboptimal controls when gate fidelity in a quantum control system is maximized, which does not happen if the system is controllable. Such local suboptimal controls may attract an optimization algorithm into a local trap when a global optimal solution is sought, even if the target gate can be perfectly realized. This conclusion results from an analysis of the critical topology of the corresponding quantum control landscape, which refers to the gate fidelity objective as a functional of the control fields. For uncontrollable systems, due to SU(2) and SU(3) dynamical symmetries, the control landscape corresponding to an implementable target gate is proven to possess multiple locally optimal critical points, and its ruggedness can be further increased if the target gate is not realizable. These results imply that the optimization of quantum dynamics can be seriously impeded when operating with local search algorithms under these conditions, and thus full controllability is demanded.
The effective use of current Noisy Intermediate-Scale Quantum (NISQ) devices is often limited by the noise which is caused by interaction with the environment and affects the fidelity of quantum gates. In transmon qubit systems, the quantum gate fidelity can be improved by applying control pulses that can minimize the effects of the environmental noise. In this work, we employ physics-guided quantum optimal control strategies to design optimal pulses driving quantum gates on superconducting qubit systems. We test our results by conducting experiments on the IBM quantum hardware using their OpenPulse API. We compare the performance of our pulse-optimized quantum gates against the default quantum gates and show that the optimized pulses improve the fidelity of the quantum gates, in particular the single-qubit gates. Here we discuss the challenges we encountered in our work and point to possible future improvements.
There is a recent surge of interest and insights regarding the interplay of quantum optimal control and variational quantum algorithms. We study the framework in the context of qudits which are, for instance, definable as controllable electromagnetic modes of a superconducting cavity system coupled to a transmon. By employing recent quantum optimal control approaches described in (Petersson and Garcia, 2021), we showcase control of single-qudit operations up to eight states, and two-qutrit operations, mapped respectively onto a single mode and two modes of the resonator. We discuss the results of numerical pulse engineering on the closed system for parametrized gates useful to implement Quantum Approximate Optimization Algorithm (QAOA) for qudits. The results show that high fidelity ( > 0.99) is achievable with sufficient computational effort for most cases under study, and extensions to multiple modes and open, noisy systems are possible. The tailored pulses can be stored and used as calibrated primitives for a future compiler in circuit quantum electrodynamics (cQED) systems.
In this paper, control of open quantum systems with emphasis on the control of surface photochemical reactions is presented. A quantum system in a condensed phase undergoes strong dissipative processes. From a theoretical viewpoint, it is important to model such processes in a rigorous way. In this work, the description of open quantum systems is realized within the surrogate Hamiltonian approach [R. Baer and R. Kosloff, J. Chem. Phys. 106, 8862 (1997)]. An efficient and accurate method to find control fields is optimal control theory (OCT) [W. Zhu, J. Botina, and H. Rabitz, J. Chem. Phys. 108, 1953 (1998); Y. Ohtsuki, G. Turinici, and H. Rabitz, J. Chem. Phys. 120, 5509 (2004)]. To gain control of open quantum systems, the surrogate Hamiltonian approach and OCT, with time-dependent targets, are combined. Three open quantum systems are investigated by the combined method, a harmonic oscillator immersed in an ohmic bath, CO adsorbed on a platinum surface, and NO adsorbed on a nickel oxide surface. Throughout this paper, atomic units, i.e., ({Dirac_h}/2{pi})=m{sub e}=e=a{sub 0}= 1, have been used unless otherwise stated.
We introduce a quantum algorithm that integrates counterdiabatic (CD) protocols with quantum Lyapunov control (QLC) to address combinatorial optimization problems. This approach offers versatility, allowing implementation as either a digital-analog or purely digital algorithm based on selected control strategies. By examining spin-glass Hamiltonians, we illustrate how the algorithm can explore alternative paths to enhance solution outcomes compared to conventional CD techniques. This method reduces dependence on extensive higher-order CD terms and on classical optimization techniques, making it more suitable for existing quantum computing platforms. The combination of digital compression via CD protocols and the adaptable nature of QLC methods positions this approach as a promising candidate for near-term quantum devices.
The non-linear optimization method developed by A. Konnov and V. Krotov [Autom. Remote Cont. (Engl. Transl.) 60, 1427 (1999)] has been used previously to extend the capabilities of optimal control theory from the linear to the non-linear Schroedinger equation [S. E. Sklarz and D. J. Tannor, Phys. Rev. A 66, 053619 (2002)]. Here we show that based on the Konnov-Krotov method, monotonically convergent algorithms are obtained for a large class of quantum control problems. It includes, in addition to nonlinear equations of motion, control problems that are characterized by non-unitary time evolution, nonlinear dependencies of the Hamiltonian on the control, time-dependent targets, and optimization functionals that depend to higher than second order on the time-evolving states. We furthermore show that the nonlinear (second order) contribution can be estimated either analytically or numerically, yielding readily applicable optimization algorithms. We demonstrate monotonic convergence for an optimization functional that is an eighth-degree polynomial in the states. For the ''standard'' quantum control problem of a convex final-time functional, linear equations of motion and linear dependency of the Hamiltonian on the field, the second-order contribution is not required for monotonic convergence but can be used to speed up convergence. We demonstrate this by comparing the performance of first- and second-order algorithms for two examples.
Optimal control simulations are performed for orientation and entanglement of two dipole–dipole coupled identical quantum rotors.
Spin chains are promising candidates for quantum communication and computation. Using quantum optimal control (OC) theory based on the Krotov method, we present a protocol to perform quantum state transfer with fast and high fidelity by only manipulating the boundary spins in a quantum spin-1/2 chain. The achieved speed is about one order of magnitude faster than that is possible in the Lyapunov control case for comparable fidelities. Additionally, it has a fundamental limit for OC beyond which optimization is not possible. The controls are exerted only on the couplings between the boundary spins and their neighbors, so that the scheme has good scalability. We also demonstrate that the resulting OC scheme is robust against disorder in the chain.
Quantum control aims to manipulate quantum systems toward specific quantum states or desired operations. Designing highly accurate and effective control steps is vitally important to various quantum applications, including energy minimization and circuit compilation. In this paper we focus on discrete binary quantum control problems and apply different optimization algorithms and techniques to improve computational efficiency and solution quality. Specifically, we develop a generic model and extend it in several ways. We introduce a squared L 2 -penalty function to handle additional side constraints, to model requirements such as allowing at most one control to be active. We introduce a total variation (TV) regularizer to reduce the number of switches in the control. We modify the popular gradient ascent pulse engineering (GRAPE) algorithm, develop a new alternating direction method of multipliers (ADMM) algorithm to solve the continuous relaxation of the penalized model, and then apply rounding techniques to obtain binary control solutions. We propose a modified trust-region method to further improve the solutions. Our algorithms can obtain high-quality control results, as demonstrated by numerical studies on diverse quantum control examples.
Abstract We present the first multi-fidelity Bayesian optimization (BO) approach for solving inverse problems in the quantum control of prototypical quantum systems. Our approach automatically constructs time-dependent control fields that enable transitions between initial and desired final quantum states. Most importantly, our BO approach gives impressive performance in constructing time-dependent control fields, even for cases that are difficult to converge with existing gradient-based approaches. We provide detailed descriptions of our machine learning methods as well as performance metrics for a variety of machine learning algorithms. Taken together, our results demonstrate that BO is a promising approach to efficiently and autonomously design control fields in general quantum dynamical systems.
We propose a methodology to design optimal pulses for achieving quantum optimal control on molecular systems. Our approach constrains pulse shapes to linear combinations of a fixed number of experimentally relevant pulse functions. Quantum optimal control is obtained by maximizing a multi-target fitness function using genetic algorithms. As a first application of the methodology, we generated an optimal pulse that successfully maximized the yield on a selected dissociation channel of a diatomic molecule. Our pulse is obtained as a linear combination of linearly chirped pulse functions. Data recorded along the evolution of the genetic algorithm contained important information regarding the interplay between radiative and diabatic processes. We performed a principal component analysis on these data to retrieve the most relevant processes along the optimal path. Our proposed methodology could be useful for performing quantum optimal control on more complex systems by employing a wider variety of pulse shape functions.
The broad success of theoretical and experimental quantum optimal control is intimately connected to the topology of the underlying control landscape. For several common quantum control goals, including the maximization of an observable expectation value, the landscape has been shown to lack local optima if three assumptions are satisfied: (i) the quantum system is controllable, (ii) the Jacobian of the map from the control field to the evolution operator is full rank, and (iii) the control field is not constrained. In the case of the observable objective, this favorable analysis shows that the associated landscape also contains saddles, i.e., critical points that are not local suboptimal extrema. In this paper, we investigate whether the presence of these saddles affects the trajectories of gradient-based searches for an optimal control. We show through simulations that both the detailed topology of the control landscape and the parameters of the system Hamiltonian influence whether the searches are attracted to a saddle. For some circumstances with a special initial state and target observable, optimizations may approach a saddle very closely, reducing the efficiency of the gradient algorithm. Encounters with such attractive saddles are found to be quite rare. Neither the presence of a large number of saddles on the control landscape nor a large number of system states increases the likelihood that a search will closely approach a saddle. Finally, even for applications that encounter a saddle, well-designed gradient searches with carefully chosen algorithmic parameters will readily locate optimal controls.
Abstract Data-driven methods for establishing quantum optimal control (QOC) using time-dependent control pulses tailored to specific quantum dynamical systems and desired control objectives are critical for many emerging quantum technologies. We develop a data-driven regression procedure, bilinear dynamic mode decomposition (biDMD), that leverages time-series measurements to establish quantum system identification for QOC. The biDMD optimization framework is a physics-informed regression that makes use of the known underlying Hamiltonian structure. Further, the biDMD can be modified to model both fast and slow sampling of control signals, the latter by way of stroboscopic sampling strategies. The biDMD method provides a flexible, interpretable, and adaptive regression framework for real-time, online implementation in quantum systems. Further, the method has strong theoretical connections to Koopman theory, which approximates nonlinear dynamics with linear operators. In comparison with many machine learning paradigms minimal data is needed to construct a biDMD model, and the model is easily updated as new data is collected. We demonstrate the efficacy and performance of the approach on a number of representative quantum systems, showing that it also matches experimental results.
Quantum optimal control is a promising approach to improve the accuracy of quantum gates, but it relies on complex algorithms to determine the best control settings. CPU or GPU-based approaches often have delays that are too long to be applied in practice. It is paramount to have systems with extremely low delays to quickly and with high fidelity adjust quantum hardware settings, where fidelity is defined as overlap with a target quantum state. Here, we utilize machine learning (ML) models to determine control-pulse parameters for preparing Selective Number-dependent Arbitrary Phase (SNAP) gates in microwave cavity qudits, which are multi-level quantum systems that serve as elementary computation units for quantum computing. The methodology involves data generation using classical optimization techniques, ML model development, design space exploration, and quantization for hardware implementation. Our results demonstrate the efficacy of the proposed approach, with optimized models achieving low gate trace infidelity near $10^{-3}$ and efficient utilization of programmable logic resources.
Qudit gates for high-dimensional quantum computing can be synthesized with high precision using numerical quantum optimal control techniques. Large circuits are broken down into modules and the tailored pulses for each module can be used as primitives for a qudit compiler. Application of the pulses of each module in the presence of extra modes may decrease their effectiveness due to crosstalk. In this paper, we address this problem by simulating qudit dynamics for circuit quantum electrodynamics systems. As a test case, we take pulses for single-qudit swap gates optimized in isolation and then apply them in the presence of spectator modes each of which are in Fock states. We provide an experimentally relevant scaling formula that can be used as a bound on the fidelity decay. Our results show that frequency shift from spectator mode populations has to be ≲ 0.1 % of the qudit's nonlinearity in order for high-fidelity single-qudit gates to be useful in the presence of occupied spectator modes.