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arXiv:2407.13858 · npj Quantum Information

Quantum natural stochastic pairwise coordinate descent

Mohammad Aamir Sohail, Mohsen Heidari, S. Sandeep Pradhan

Published Jul 2, 2025• 2 citations
arXivHTMLPDF

Abstract

Variational quantum algorithms, optimized using gradient-based methods, often exhibit sub-optimal convergence performance due to their dependence on Euclidean geometry. Quantum natural gradient descent (QNGD) is a more efficient method that incorporates the geometry of the state space via a quantum information metric. However, QNGD is computationally intensive and suffers from high sample complexity. In this work, we formulate a novel quantum information metric and construct an unbiased estimator for this metric using single-shot measurements. We develop a quantum optimization algorithm that leverages the geometry of the state space via this estimator while avoiding full-state tomography, as in conventional techniques. We provide the convergence analysis of the algorithm under mild conditions. Furthermore, we provide experimental results that demonstrate the better sample complexity and faster convergence of our algorithm compared to the state-of-the-art approaches. Our results illustrate the algorithm’s ability to avoid saddle points and local minima.

DOI
10.1038/s41534-025-01047-4

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Variational quantum algorithms, optimized using gradient-based methods, often exhibit sub-optimal convergence performance due to their dependence on Euclidean geometry. Quantum natural gradient descent (QNGD) is a more efficient method that incorporates the geometry of the state space via a quantum information metric. However, QNGD is computationally intensive and suffers from high sample complexity. In this work, we formulate a novel quantum information metric and construct an unbiased estimator for this metric using single-shot measurements. We develop a quantum optimization algorithm that leverages the geometry of the state space via this estimator while avoiding full-state tomography, as in conventional techniques. We provide the convergence analysis of the algorithm under mild conditions. Furthermore, we provide experimental results that demonstrate the better sample complexity and faster convergence of our algorithm compared to the state-of-the-art approaches. Our results illustrate the algorithm’s ability to avoid saddle points and local minima.
Gradient-based optimizers have been proposed for training variational quantum circuits in settings such as quantum neural networks (QNNs). The task of gradient estimation, however, has proven to be challenging, primarily due to distinctive quantum features such as state collapse and measurement incompatibility. Conventional techniques, such as the parameter-shift rule, necessitate several fresh samples in each iteration to estimate the gradient due to the stochastic nature of state measurement. Owing to state collapse from measurement, the inability to reuse samples in subsequent iterations motivates a crucial inquiry into whether fundamentally more efficient approaches to sample utilization exist. In this paper, we affirm the feasibility of such efficiency enhancements through a novel procedure called quantum shadow gradient descent (QSGD), which uses a single sample per iteration to estimate all components of the gradient. Our approach is based on an adaptation of shadow tomography that significantly enhances sample efficiency. Through detailed theoretical analysis, we show that QSGD has a significantly faster convergence rate than existing methods under locality conditions. We present detailed numerical experiments supporting all of our theoretical claims.
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.
The efficient optimization of variational quantum algorithms (VQAs) is critical for their successful application in quantum computing. The Quantum Natural Gradient (QNG) method, which leverages the geometry of quantum state space, has demonstrated improved convergence compared to standard gradient descent [Quantum 4, 269 (2020)]. In this work, we introduce the Modified Conjugate Quantum Natural Gradient (CQNG), an optimization algorithm that integrates QNG with principles from the nonlinear conjugate gradient method. Unlike QNG, which employs a fixed learning rate, CQNG dynamically adjusts hyperparameters at each step, enhancing both efficiency and flexibility. Numerical simulations show that CQNG achieves faster convergence than QNG across various optimization scenarios, even when strict conjugacy conditions are not always satisfied -- hence the term ``Modified Conjugate.'' These results highlight CQNG as a promising optimization technique for improving the performance of VQAs.
Abstract The efficient optimization of variational quantum algorithms (VQAs) is critical for their successful application in quantum computing. The Quantum Natural Gradient (QNG) method, which leverages the geometry of quantum state space, has demonstrated improved convergence compared to standard gradient descent (Stokes et al. in Quantum 4:269, 2020). In this work, we introduce the Modified Conjugate Quantum Natural Gradient (CQNG), an optimization algorithm that integrates QNG with principles from the nonlinear conjugate-gradient method. Unlike QNG, which employs a fixed learning rate, CQNG dynamically adjusts its hyperparameters at each step, enhancing both efficiency and flexibility. Numerical simulations show that CQNG achieves faster convergence and reduces quantum-resource requirements compared to QNG across various optimization scenarios, even when strict conjugacy conditions are not fully satisfied—hence the term “Modified Conjugate.” These results highlight CQNG as a promising optimization technique for improving the performance of VQAs.
The efficient optimization of variational quantum algorithms (VQAs) is critical for their successful application in quantum computing. The Quantum Natural Gradient (QNG) method, which leverages the geometry of quantum state space, has demonstrated improved convergence compared to standard gradient descent [Quantum 4, 269 (2020)]. In this work, we introduce the Modified Conjugate Quantum Natural Gradient (CQNG), an optimization algorithm that integrates QNG with principles from the nonlinear conjugate-gradient method. Unlike QNG, which employs a fixed learning rate, CQNG dynamically adjusts its hyperparameters at each step, enhancing both efficiency and flexibility. Numerical simulations show that CQNG achieves faster convergence and reduces quantum-resource requirements compared to QNG across various optimization scenarios, even when strict conjugacy conditions are not fully satisfied--hence the term ``Modified Conjugate.'' These results highlight CQNG as a promising optimization technique for improving the performance of VQAs.
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.