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arXiv:2509.18059

Modelling optimal implementation of an arbitrary $N$-qubit quantum gate within the generalized Bloch vectors formalism

Elena R. Loubenets, Sergey Kuznetsov

Published Sep 22, 2025• 0 citations
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Abstract

The optimal implementation of quantum gates for closed $N$-qubit systems is one of the key challenges for practical realization of many quantum information processing tasks. In the present article, based on the generalized Bloch vectors formalism [J. Phys. A: Math. Theor. 54, 195301 (2021)] for a finite-dimensional quantum system, we develop a new general model for the optimal implementation of quantum gates, which is formulated in terms of the Bloch vectors for the unitary evolution operator and the system Hamiltonians, drift and control, and has the unified mathematical form, which is standard for the mathematical control theory and applicable for the implementation of an arbitrary $N$-qubit gate within any closed $N$-qubit system, satisfying the controllability conditions. Within the developed optimal model, the cost functional has both the terminal part and also, the integral part with the special scaling, and this allows us to specify the quantum optimal control synthesis via solving the two-point boundary value problem (BVP) for the system of ordinary differential equations (ODEs), which can be explored numerically by any of the known BVP solvers for ODEs. The numerical experiments, conducted for the implementation within the developed optimal model of a variety of $N=1,2,3$ qubit gates, demonstrate the high accuracy of the model-based results.

DOI
10.48550/arxiv.2509.18059

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Modelling optimal implementation of an arbitrary NNN-qubit quantum gate within the generalized Bloch vectors formalism
The optimal implementation of quantum gates for closed NNN-qubit systems is one of the key challenges for practical realization of many quantum information processing tasks. In the present article, based on the generalized Bloch vectors formalism [J. Phys. A: Math. Theor. 54, 195301 (2021)] for a finite-dimensional quantum system, we develop a new general model for the optimal implementation of quantum gates, which is formulated in terms of the Bloch vectors for the unitary evolution operator and the system Hamiltonians, drift and control, and has the unified mathematical form, which is standard for the mathematical control theory and applicable for the implementation of an arbitrary NNN-qubit gate within any closed NNN-qubit system, satisfying the controllability conditions. Within the developed optimal model, the cost functional has both the terminal part and also, the integral part with the special scaling, and this allows us to specify the quantum optimal control synthesis via solving the two-point boundary value problem (BVP) for the system of ordinary differential equations (ODEs), which can be explored numerically by any of the known BVP solvers for ODEs. The numerical experiments, conducted for the implementation within the developed optimal model of a variety of N=1,2,3N=1,2,3N=1,2,3 qubit gates, demonstrate the high accuracy of the model-based results.
This paper considers the optimal control problem for realizing logical gates in a closed quantum system. The quantum state is governed by Schrodinger's equation, which we formulate as a time-dependent Hamiltonian system in terms of the real and imaginary parts of the state vector. The system is discretized with the Stormer-Verlet scheme, which is a symplectic partitioned Runge-Kutta method. Our main theoretical contribution is the derivation of a compatible time-discretization of the adjoint state equation, such that the gradient of the discrete objective function can be calculated exactly, at a computational cost of solving two Schrödinger systems, independently of the number of parameters in the control functions. A parameterization of the control functions based on B-splines with built-in carrier waves is also introduced. The carrier waves are used to specify the frequency spectra of the control functions, while the B-spline functions specify their envelope and phase. This approach allows the number of control parameters to be independent of, and significantly smaller than, the number of time steps for integrating Schrodinger's equation. We consider Hamiltonians that model the dynamics of a superconducting multi-level qudit and present numerical examples of how the proposed technique can be combined with the interior point L-BFGS algorithm from the IPOPT package for realizing quantum gates. In a set of test cases, the proposed algorithm is shown to compare favorably with QuTiP/pulse_optim and Grape-Tensorflow.
This article provides a review of recent developments in the formulation and execution of optimal control strategies for the dynamics of quantum systems. A brief introduction to the concept of optimal control, the dynamics of of open quantum systems, and quantum information processing is followed by a presentation of recent developments regarding the two main tasks in this context: state-specific and state-independent optimal control. For the former, we present an extension of conventional theory (Pontryagin's principle) to quantum systems which undergo a non-Markovian time-evolution. Owing to its importance for the realization of quantum information processing, the main body of the review, however, is devoted to state-independent optimal control. Here, we address three different approaches: an approach which treats dissipative effects from the environment in lowest-order perturbation theory, a general method based on the time--evolution superoperator concept, as well as one based on the Kraus representation of the time-evolution superoperator. Applications which illustrate these new methods focus on single and double qubits (quantum gates) whereby the environment is modeled either within the Lindblad equation or a bath of bosons (spin-boson model). While these approaches are widely applicable, we shall focus our attention to solid-state based physical realizations, such as semiconductor- and superconductor-based systems. While an attempt is made to reference relevant and representative work throughout the community, the exposition will focus mainly on work which has emerged from our own group.
A quantum gate is realized by specific unitary transformations operating on states representing qubits. Considering a quantum system employed as an element in a quantum computing scheme, the task is therefore to enforce the pre-specified unitary transformation. This task is carried out by an external time dependent field. Optimal control theory has been suggested as a method to compute the external field which alters the evolution of the system such that it performs the desire unitary transformation. This study compares two recent implementations of optimal control theory to find the field that induces a quantum gate. The first approach is based on the equation of motion of the unitary transformation. The second approach generalizes the state to state formulation of optimal control theory. This work highlight the formal relation between the two approaches.
Since no physical system can ever be completely isolated from its environment, the study of open quantum systems is pivotal to reliably and accurately control complex quantum systems. In practice, reliability of the control field needs to be confirmed via certification of the target evolution while accuracy requires the derivation of high-fidelity control schemes in the presence of decoherence. In the first part of this thesis an algebraic framework is presented that allows to determine the minimal requirements on the unique characterisation of arbitrary unitary gates in open quantum systems, independent on the particular physical implementation of the employed quantum device. To this end, a set of theorems is devised that can be used to assess whether a given set of input states on a quantum channel is sufficient to judge whether a desired unitary gate is realised. This allows to determine the minimal input for such a task, which proves to be, quite remarkably, independent of system size. These results allow to elucidate the fundamental limits regarding certification and tomography of open quantum systems. The combination of these insights with state-of-the-art Monte Carlo process certification techniques permits a significant improvement of the scaling when certifying arbitrary unitary gates. This improvement is not only restricted to quantum information devices where the basic information carrier is the qubit but it also extends to systems where the fundamental informational entities can be of arbitary dimensionality, the so-called qudits. The second part of this thesis concerns the impact of these findings from the point of view of Optimal Control Theory (OCT). OCT for quantum systems utilises concepts from engineering such as feedback and optimisation to engineer constructive and destructive interferences in order to steer a physical process in a desired direction. It turns out that the aforementioned mathematical findings allow to deduce novel optimisation functionals that significantly reduce not only the required memory for numerical control algorithms but also the total CPU time required to obtain a certain fidelity for the optimised process. The thesis concludes by discussing two problems of fundamental interest in quantum information processing from the point of view of optimal control the preparation of pure states and the implementation of unitary gates in open quantum systems. For both cases specific physical examples are considered: for the former the vibrational cooling of molecules via optical pumping and for the latter a superconducting phase qudit implementation. In particular, it is illustrated how features of the environment can be exploited to reach the desired targets.
A general formulation of optimal control theory for open quantum systems (quantum subsystems) based on a superoperator method is presented. This approach is applied to a computation of optimized time-dependent fields for solid-state-based realizations of quantum gates. Decoherence is incorporated within the spin-boson model and treated within, essentially, the Bloch-Redfield formalism. Generating a ``decoherence-free subspace'' for the superoperator dynamically, we identify optimal trajectories in the phase space of the dynamical system for one- and two-qubit subsystems. Numerical analysis shows that, for the ideal case where one has full control over the subsystem's Hamiltonian, any gate operation can be realized with arbitrary small loss of coherence due to dephasing and optimal solutions exist which are independent of both spectral density and the temperature of the environment. At the example of a Josephson charge quantum gate we study the more realistic situation where one has a restricted number of control fields which, while providing a universal gate, cannot completely eliminate dephasing.
Solving Ordinary Differential Equations (ODE) is important for a broad range of domains, such as engineering, weather forecast, and finance. Most quantum algorithms proposed to solve them revolve around transforming ODEs into a system of linear equations, in order to benefit from the exponential advantage promised by the HHL algorithm. However, there are known limitations to this subroutine such as the linear scaling with condition number. In particular, for HHL-based ODE solvers, this dependency yields a complexity that generally grows exponentially with the integration time. In this paper, we present a scheme that does not rely on the HHL subroutine. We use the Koopman Von Neumann (KvN) formalism that maps arbitrary nonlinear dynamics to a Hilbert space where the dynamics are unitary. This effectively reduces the ODE problem to a Hamiltonian time evolution, which is a well-known problem in quantum computing. However, this comes at a cost as the KvN formalism is expressed in an infinite-dimensional Hilbert space, and involves nonphysical states with infinite energies. Previous works have tackled this by truncating the Hilbert space, and by approximating all the relevant states and operations on qubit-based systems. Instead of mapping to qubit-based computations, in this paper, we investigate the direct use of continuous-variable quantum computers for this problem. We provide an algorithm to compile a sequence of Gaussian and non-Gaussian continuous variables gates to solve an arbitrary one-dimensional polynomial ODE. We analyze the algorithm and propose that it is intrinsically better suited for solving so-called initial distribution problems, rather than initial condition problems. We propose the first steps towards a comprehensive complexity and specify which steps need to be developed for a complete analysis.