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Hessian-based optimization of quantum dynamics under constrained control.

Mogens Dalgaard, Felix Motzoi, Jesper Hasseriis Mohr Jensen, Jacob Friis Sherson

Published Jun 1, 2020• 0 citations
OpenAlex

Abstract

Efficient optimization of quantum systems with large state or control spaces is a necessity for reaching fault tolerant thresholds. A standard tool for optimizing simulated quantum dynamics is the gradient-based \textsc{grape} algorithm, which has been successfully applied in a wide range of different branches of quantum physics. In this work, we derive and implement exact $2^{\mathrm{nd}}$ order analytical Hessian of the coherent dynamics and find improvements compared to the approximate $2^{\mathrm{nd}}$ order \textsc{bfgs} standard optimization. We demonstrate performance improvements for both the best and average errors of constrained unitary gate synthesis on a circuit-\textsc{qed} system over a broad range of different gate durations.

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Efficient optimization of quantum systems with large state or control spaces is a necessity for reaching fault tolerant thresholds. A standard tool for optimizing simulated quantum dynamics is the gradient-based \textsc{grape} algorithm, which has been successfully applied in a wide range of different branches of quantum physics. In this work, we derive and implement exact 2nd2^{\mathrm{nd}}2nd order analytical Hessian of the coherent dynamics and find improvements compared to the approximate 2nd2^{\mathrm{nd}}2nd order \textsc{bfgs} standard optimization. We demonstrate performance improvements for both the best and average errors of constrained unitary gate synthesis on a circuit-\textsc{qed} system over a broad range of different gate durations.
Efficient optimization of quantum systems is a necessity for reaching fault-tolerant thresholds. A standard tool for optimizing simulated quantum dynamics is the gradient-based grape algorithm, which has been successfully applied in a wide range of different branches of quantum physics. In this work, we derive and implement exact second-order analytical derivatives of the coherent dynamics and find improvements compared to the standard of optimizing with the approximate second-order Broyden-Fletcher-Goldfarb-Shanno algorithm. We demonstrate performance improvements for both the best and the average errors of constrained unitary gate synthesis on a circuit-QED system over a broad range of different gate durations.
In the quest to achieve scalable quantum information processing technologies, gradient-based optimal control algorithms (e.g., grape) are broadly used for implementing high-precision quantum gates, but their performance is often hindered by deterministic or random errors in the system model and the control electronics. In this paper, we show that grape can be taught to be more effective by jointly learning from the design model and the experimental data obtained from process tomography. The resulting data-driven gradient optimization algorithm (d-grape) can in principle correct all deterministic gate errors, with a mild efficiency loss. The d-grape algorithm may become more powerful with broadband controls that involve a large number of control parameters, while other algorithms usually slow down due to the increased size of the search space. These advantages are demonstrated by simulating the implementation of a two-qubit controlled-not gate.
Accurate derivatives are important for locally traversing and converging efficiently in quantum optimization landscapes. By deriving analytically exact control derivatives (gradient and Hessian) for unitary control tasks, we show here that the computational feasibility of meeting this accuracy requirement depends on the choice of propagation scheme and problem representation. Even when exact propagation is sufficiently cheap it is, perhaps surprisingly, much more efficient to optimize the (appropriately) approximate propagators: Approximations in the dynamics are traded off for significant complexity reductions in the exact derivative calculations. Importantly, past the initial analytical considerations, only standard numerical techniques are explicitly required with straightforward application to realistic systems. These results are numerically verified for two concrete problems of increasing Hilbert space dimensionality. The best schemes obtain unit fidelity to machine precision, whereas the results for other schemes are separated consistently by orders of magnitude in computation time and in worst-case ten orders of magnitude in achievable fidelity. Since these gaps continually increase with system size and complexity, this methodology allows numerically efficient optimization of very high-dimensional dynamics, e.g., in many-body contexts, operating in the high-fidelity regime.
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
Quantum optimal control can produce fast and robust multi-qubit gates, but experimentally calibrating the resulting high-dimensional waveforms remains challenging because direct searches over large parameter spaces converge slowly. Building on the low-rank structure of quantum-control landscapes, we develop and benchmark a Hessian-based calibration method for optimal-control gates. The method identifies the few waveform directions that affect fidelity to leading order, with the number of directions set by the accessible leakage and coherent error channels, and optimizes only within this principal space using closed-loop experimental feedback. We apply this approach to an amplitude-robust controlled-Z gate on metastable-state 171Yb nuclear-spin qubits. Experimentally, we verify the predicted Hessian-sensitive directions and demonstrate rapid convergence of the optimization protocol. The optimized gate reaches a raw fidelity of 0.9959(2), increasing to 0.99902(7) after postselection on no detected loss, and the performance is essentially unchanged under laser-power variations of up to 20%. We further show that the same fidelity Hessian directions can correct certain Hamiltonian parameter errors. These results establish low-rank Hessian optimization as an efficient and physically motivated calibration strategy for high-dimensional optimal-control gates, which is broadly applicable to many qubit types.
Quantum optimal control, a powerful toolbox for engineering an optimal control field modulation that most precisely implements a desired quantum operation in the best way possible, has evolved into one of the cornerstones for enabling quantum technologies. The gradient ascent pulse engineering (GRAPE) algorithm is a widely used method in quantum optimal control, which has achieved great success in different physical platforms. However, its computational complexity increases exponentially with the number of qubits, making it challenging to be implemented for large-scale quantum systems. To mitigate this issue, we present the iterative GRAPE algorithm (iGRAPE), which reduces the optimization problem into a series of lower-dimensional subproblems by incorporating disentanglement operations. Our numerical simulations on physical platforms such as nuclear magnetic resonance and superconducting quantum systems demonstrate that iGRAPE significantly enhances state preparation speed. Specifically, compared to GRAPE, iGRAPE achieves up to a five-fold acceleration in preparing Greenberger--Horne--Zeilinger states using a 12-qubit implementation, and up to a 13-fold acceleration for arbitrary state preparation with eight qubits. To further validate our findings, we conduct experimental validation of iGRAPE on a four-qubit nuclear magnetic resonance system. Overall, iGRAPE offers an efficient solution for implementing optimal control in large-scale quantum systems, holding great potential for advancing quantum technologies during the noisy intermediate-scale quantum era.