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arXiv:2504.16518

Preconditioning Natural and Second Order Gradient Descent in Quantum Optimization: A Performance Benchmark

Théo Lisart-Liebermann, Arcesio Castañeda Medina

Published Apr 23, 2025• 0 citations
arXivHTMLPDF

Abstract

The optimization of parametric quantum circuits is technically hindered by three major obstacles: the non-convex nature of the objective function, noisy gradient evaluations, and the presence of barren plateaus. As a result, the selection of classical optimizer becomes a critical factor in assessing and exploiting quantum-classical applications. One promising approach to tackle these challenges involves incorporating curvature information into the parameter update. The most prominent methods in this field are quasi-Newton and quantum natural gradient methods, which can facilitate faster convergence compared to first-order approaches. Second order methods however exhibit a significant trade-off between computational cost and accuracy, as well as heightened sensitivity to noise. This study evaluates the performance of three families of optimizers on synthetically generated MaxCut problems on a shallow QAOA algorithm. To address noise sensitivity and iteration cost, we demonstrate that incorporating secant-penalization in the BFGS update rule (SP-BFGS) yields improved outcomes for QAOA optimization problems, introducing a novel approach to stabilizing BFGS updates against gradient noise.

DOI
10.48550/arxiv.2504.16518

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The optimization of parametric quantum circuits is technically hindered by three major obstacles: the non-convex nature of the objective function, noisy gradient evaluations, and the presence of barren plateaus. As a result, the selection of classical optimizer becomes a critical factor in assessing and exploiting quantum-classical applications. One promising approach to tackle these challenges involves incorporating curvature information into the parameter update. The most prominent methods in this field are quasi-Newton and quantum natural gradient methods, which can facilitate faster convergence compared to first-order approaches. Second order methods however exhibit a significant trade-off between computational cost and accuracy, as well as heightened sensitivity to noise. This study evaluates the performance of three families of optimizers on synthetically generated MaxCut problems on a shallow QAOA algorithm. To address noise sensitivity and iteration cost, we demonstrate that incorporating secant-penalization in the BFGS update rule (SP-BFGS) yields improved outcomes for QAOA optimization problems, introducing a novel approach to stabilizing BFGS updates against gradient noise.
Abstract Variational Quantum Algorithms (VQAs) are widely regarded as the most promising route to practical quantum advantage on Noisy Intermediate-Scale Quantum (NISQ) hardware, but their trainability is threatened by the barren plateau phenomenon, in which cost-function gradients vanish exponentially with system size and circuit depth. Standard first-order optimizers, which treat the parameter space of a parameterized quantum circuit (PQC) as flat Euclidean space, are especially vulnerable to this effect and to the additional gradient suppression introduced by hardware noise. This extended treatment presents (i) a from-first-principles derivation of Quantum Natural Gradient (QNG) descent, tracing its lineage from Amari's classical information geometry [1] through the Fubini-Study metric to the Quantum Fisher Information Matrix (QFIM); (ii) a complete taxonomy of barren-plateau mechanisms (expressibility-induced, entanglement-induced, cost-function-locality-induced, and noise-induced); (iii) a comparative survey of the broader NISQ optimizer landscape (SPSA, Adam, COBYLA, Rotosolve, Quantum Natural SPSA, and reduced-cost QFIM estimators); and (iv) a controlled simulation study comparing QNG against vanilla gradient descent on a 4-qubit weighted MaxCut problem under three physically motivated NISQ noise models. Across 50 independent trials, QNG raised the convergence success rate from 30% to 95%, reduced the mean iteration count to convergence by a factor of roughly 6, and achieved a 16% net wall-clock speedup despite the added per-iteration cost of QFIM estimation. We give the full theoretical basis for these gains, an exhaustive discussion of their limitations, an A-to-Z glossary of the field's terminology, and a staged roadmap toward physical hardware validation. Figure placements throughout the document are annotated with detailed image-generation prompts so that the accompanying visual assets can be produced independently of this text.
Gate-based quantum algorithms are typically implemented by circuits consisting of many single-qubit and multi-qubit gates operating on a quantum input state, followed by measurements of the output state. For certain quantum subroutines, such as initial state preparation and quantum Fourier transforms, explicit decompositions of the circuit in terms of single-qubit and two-qubit maximally entangling gates may exist. However, they often lead to large-depth circuits that are challenging for noisy intermediate-scale quantum (NISQ) hardware. Additionally, exact decompositions might only exist for some modular quantum circuits. Therefore, it is essential to find gate combinations that approximate these circuits to high fidelity with potentially low depth. Gradient-based optimization has been used to find such approximate decompositions. Still, these traditional optimizers often run into problems of slow convergence requiring many iterations, and performing poorly in the presence of noise, a factor that is especially relevant for NISQ hardware. Here we present iteratively preconditioned gradient descent (IPG) for optimizing quantum circuits and demonstrate performance speedups for state preparation and implementation of quantum algorithmic subroutines. IPG is a noise-resilient, higher-order algorithm that has shown promising gains in convergence speed for classical optimizations, converging locally at a linear rate for convex problems and superlinearly when the solution is unique. Specifically, we show an improvement in fidelity by a factor of 104for preparing a 4-qubit W state and a maximally entangled 5-qubit GHZ state with compared to other commonly used classical optimizers tuning the same ansatz. Such faster convergence with promise for noise-resilience could provide advantages for quantum algorithms on NISQ hardware, especially since the cost of running each iteration on a quantum computer is substantially higher than the classical optimizer step.
We investigate the performance of the quantum natural gradient (QNG) optimizer in the presence of noise. Specifically, we evaluate the efficacy of QNG within the quantum approximate optimization algorithm for finding the ground state of the transverse field Ising model. Its performance is benchmarked against the vanilla gradient descent optimizer across two prominent quantum computing platforms: Rydberg atoms and superconducting circuits. Our analysis includes simulations under both idealized noise-free conditions and realistic noisy environments based on calibration data from actual devices. Results demonstrate that QNG consistently outperforms vanilla gradient descent, exhibiting faster convergence on average and greater robustness against random initializations of parameters. This robustness is attributed to the distance regularization in parameter space inherent to QNG. Additionally, QNG achieves a higher convergence rate to the solution, effectively avoiding certain local minima. These findings highlight QNG as a promising tool for optimizing variational quantum algorithms in noisy intermediate-scale quantum devices.
Variational quantum algorithms (VQAs) are promising methods that leverage noisy quantum computers and classical computing techniques for practical applications. In VQAs, the classical optimizers such as gradient-based optimizers are utilized to adjust the parameters of the quantum circuit so that the objective function is minimized. However, they often suffer from the so-called vanishing gradient or barren plateau issue. On the other hand, the normalized gradient descent (NGD) method, which employs the normalized gradient vector to update the parameters, has been successfully utilized in several optimization problems. Here, we study the performance of the NGD methods in the optimization of VQAs for the first time. Our goal is two-fold. The first is to examine the effectiveness of NGD and its variants for overcoming the vanishing gradient problems. The second is to propose a new NGD that can attain the faster convergence than the ordinary NGD. We performed numerical simulations of these gradient-based optimizers in the context of quantum chemistry where VQAs are used to find the ground state of a given Hamiltonian. The results show the effective convergence property of the NGD methods in VQAs, compared to the relevant optimizers without normalization. Moreover, we make use of some normalized gradient vectors at the past iteration steps to propose the novel historical NGD that has a theoretical guarantee to accelerate the convergence speed, which is observed in the numerical experiments as well.
The Variational Quantum Eigensolver (VQE) is one of the most promising algorithms for current quantum devices. It employs a classical optimizer to iteratively update the parameters of a variational quantum circuit in order to search for the ground state of a given Hamiltonian. The efficacy of VQEs largely depends on the optimizer employed. Recent studies suggest that Quantum Natural Gradient Descent (QNG) can achieve faster convergence than vanilla gradient descent (VG), but at the cost of additional quantum resources to estimate Fubini-Study metric tensor in each optimization step. The Fubini-Study metric tensor used in QNG is related to the entire quantum state space and does not incorporate information about the target Hamiltonian. To take advantage of the structure of the Hamiltonian and address the limitation of additional computational cost in QNG, we propose Hamiltonian-aware Quantum Natural Gradient Descent (H-QNG). In H-QNG, we propose to use the Riemannian pullback metric induced from the lower-dimensional subspace spanned by the Hamiltonian terms onto the parameter space. We show that H-QNG inherits the desirable features of both approaches: the low quantum computational cost of VG and the reparameterization-invariance of QNG. We also validate its performance through numerical experiments on molecular Hamiltonians, showing that H-QNG achieves faster convergence to chemical accuracy while requiring fewer quantum computational resources.
Feedback-based methods have gained significant attention as an alternative training paradigm for the Quantum Approximate Optimization Algorithm (QAOA) in solving combinatorial optimization problems such as MAX-CUT. In particular, Quantum Lyapunov Control (QLC) employs feedback-driven control laws that guarantee monotonic non-decreasing objective values, can substantially reduce the training overhead of QAOA, and mitigate barren plateaus. However, these methods might require long control sequences, leading to sub-optimal convergence rates. In this work, we propose a hybrid method that incorporates per-layer gradient estimation to accelerate the convergence of QLC while preserving its low training overhead and stability guarantees. By leveraging layer-wise gradient information, the proposed approach selects near-optimal control parameters, resulting in significantly faster convergence and improved robustness. We validate the effectiveness of the method through extensive numerical experiments across a range of problem instances and optimization settings.