Gradient estimation is a central challenge in training parameterized quantum circuits (PQCs) for hybrid quantum-classical optimization and learning problems.This difficulty arises from several factors, including the exponential dimensionality of the Hilbert spaces and the information loss in quantum measurements.Existing estimators, such as finite difference and the parameter shift rule, often fail to adequately address these challenges for certain classes of PQCs.In this work, we propose a novel gradient estimation framework that leverages the underlying Lie algebraic structure of PQCs, combined with the Hadamard test.By analyzing the differential of the matrix exponential in Lie algebras, we derive an expression for the gradient as a linear combination of expectation values obtained via Hadamard tests.The coefficients in this decomposition depend solely on the circuit's parameterization and can be computed efficiently.Furthermore, these expectation values can be estimated using state-of-the-art shadow tomography techniques.Our approach enables efficient gradient estimation, requiring a number of measurement shots that scales logarithmically with the number of parameters, and with polynomial classical and quantum time.This is an exponential reduction in the measurement cost and a polynomial speed-up in time compared to existing works.
Gradient estimation is a central challenge in training parameterized quantum circuits (PQCs) for hybrid quantum-classical optimization and learning problems.This difficulty arises from several factors, including the exponential dimensionality of the Hilbert spaces and the information loss in quantum measurements.Existing estimators, such as finite difference and the parameter shift rule, often fail to adequately address these challenges for certain classes of PQCs.In this work, we propose a novel gradient estimation framework that leverages the underlying Lie algebraic structure of PQCs, combined with the Hadamard test.By analyzing the differential of the matrix exponential in Lie algebras, we derive an expression for the gradient as a linear combination of expectation values obtained via Hadamard tests.The coefficients in this decomposition depend solely on the circuit's parameterization and can be computed efficiently.Furthermore, these expectation values can be estimated using state-of-the-art shadow tomography techniques.Our approach enables efficient gradient estimation, requiring a number of measurement shots that scales logarithmically with the number of parameters, and with polynomial classical and quantum time.This is an exponential reduction in the measurement cost and a polynomial speed-up in time compared to existing works.
Gradient estimation is a central challenge in training parameterized quantum circuits (PQCs) for hybrid quantum-classical optimization and learning problems. This difficulty arises from several factors, including the exponential dimensionality of the Hilbert spaces and the information loss in quantum measurements. Existing estimators, such as finite difference and the parameter shift rule, often fail to adequately address these challenges for certain classes of PQCs. In this work, we propose a novel gradient estimation framework that leverages the underlying Lie algebraic structure of PQCs, combined with the Hadamard test. By analyzing the differential of the matrix exponential, we derive an expression for the gradient as a linear combination of expectation values obtained via Hadamard tests. The coefficients in this decomposition depend solely on the circuit's parameterization and can be estimated using state-of-the-art shadow tomography techniques. Hence, our approach enables efficient gradient estimation, requiring a number of measurement shots that scales logarithmically with the number of parameters, and with polynomial classical and quantum time. This is an exponential reduction in the measurement cost and a polynomial speed-up in time compared to existing works.
In the context of Noisy Intermediate-Scale Quantum (NISQ) computing, parameterized quantum circuits (PQCs) are a promising paradigm for quantum sensing, optimal control, optimization, and machine learning on near-term quantum hardware. Gradient-based methods are crucial for analyzing PQCs and offer significant advantages in the convergence rates of Variational Quantum Algorithms (VQAs) compared to gradient-free methods. However, existing gradient estimation techniques-such as Finite Difference, Parameter Shift Rule, Hadamard Test, and Direct Hadamard Test-can yield suboptimal circuits for certain PQCs. To address these limitations, we introduce the Flexible Hadamard Test, which can invert the roles of ansatz generators and observables in first-order gradient estimation, enabling the use of measurement optimization techniques to improve circuit efficiency. For higher-order derivatives, we propose thek-fold Hadamard Test, which evaluates higher-order partial derivatives using a single quantum circuit. Additionally, we present Quantum Automatic Differentiation (QAD)-a unified gradient estimation framework that adaptively selects the most efficient method for each parameter in a PQC, departing from the standard practice of using a single method uniformly. Through extensive numerical experiments, we demonstrate that our proposed methods yield up to a linear-factor reduction in circuit execution cost for real VQA applications. These advances accelerate quantum algorithm training and provide practical utility in the NISQ era.
Within the context of hybrid quantum-classical optimization, gradient descent based optimizers typically require the evaluation of expectation values with respect to the outcome of parameterized quantum circuits. In this work, we explore the consequences of the prior observation that estimation of these quantities on quantum hardware results in a form of s t o c h a s t i c gradient descent optimization. We formalize this notion, which allows us to show that in many relevant cases, including VQE, QAOA and certain quantum classifiers, estimating expectation values with k measurement outcomes results in optimization algorithms whose convergence properties can be rigorously well understood, for any value of k . In fact, even using single measurement outcomes for the estimation of expectation values is sufficient. Moreover, in many settings the required gradients can be expressed as linear combinations of expectation values -- originating, e.g., from a sum over local terms of a Hamiltonian, a parameter shift rule, or a sum over data-set instances -- and we show that in these cases k -shot expectation value estimation can be combined with sampling over terms of the linear combination, to obtain ``doubly stochastic'' gradient descent optimizers. For all algorithms we prove convergence guarantees, providing a framework for the derivation of rigorous optimization results in the context of near-term quantum devices. Additionally, we explore numerically these methods on benchmark VQE, QAOA and quantum-enhanced machine learning tasks and show that treating the stochastic settings as hyper-parameters allows for state-of-the-art results with significantly fewer circuit executions and measurements.
Training parameterised quantum circuits (PQCs) on quantum hardware is bottlenecked by the measurement cost of gradient estimation, which under the parameter-shift rule scales linearly in the number of trainable parameters and dominates the total shot budget of training at scale. In this work, we propose a framework of forward gradient estimators for PQCs, based on the forward mode of automatic differentiation, that yields an unbiased estimator of the gradient by averaging a freely tunable number of random directional derivatives and recovers SPSA, random coordinate descent, and the parameter-shift rule as limiting cases, with no ancilla qubits or controlled-gate overhead. We prove that stochastic quantum forward gradient descent converges under standard assumptions, with an explicit second-moment expansion that interpolates between the single-direction extreme of SPSA and the full-gradient extreme of parameter-shift. Within this framework we derive QUIVER (Quantum Iterative V-adaptive Estimator Rule), an adaptive optimiser for parameterised circuits whose update rule follows from a closed-form minimum measurement-cost allocation. We show numerically that forward gradients train Hamming-weight-preserving orthogonal quantum neural networks with up to 60 qubits and 1770 parameters on the ECG5000 and MNIST datasets orders of magnitude more efficiently than the parameter-shift rule. We also demonstrate that our proposed QUIVER optimiser can outperform iCANS and gCANS measurement-frugal optimisers on optimisation problems using the quantum approximate optimisation algorithm and quantum simulation with the variational quantum eigensolver.
Within the context of hybrid quantum-classical optimization, gradient descent based optimizers typically require the evaluation of expectation values with respect to the outcome of parameterized quantum circuits. In this work, we explore the consequences of the prior observation that estimation of these quantities on quantum hardware results in a form of stochastic gradient descent optimization. We formalize this notion, which allows us to show that in many relevant cases, including VQE, QAOA and certain quantum classifiers, estimating expectation values with k measurement outcomes results in optimization algorithms whose convergence properties can be rigorously well understood, for any value of k. In fact, even using single measurement outcomes for the estimation of expectation values is sufficient. Moreover, in many settings the required gradients can be expressed as linear combinations of expectation values - originating, e.g., from a sum over local terms of a Hamiltonian, a parameter shift rule, or a sum over data-set instances - and we show that in these cases k-shot expectation value estimation can be combined with sampling over terms of the linear combination, to obtain "doubly stochastic" gradient descent optimizers. For all algorithms we prove convergence guarantees, providing a framework for the derivation of rigorous optimization results in the context of near-term quantum devices. Additionally, we explore numerically these methods on benchmark VQE, QAOA and quantum-enhanced machine learning tasks and show that treating the stochastic settings as hyper-parameters allows for state-of-the-art results with significantly fewer circuit executions and measurements.
Parameterized quantum circuits (PQCs) are central to variational quantum algorithms (VQAs), yet their performance is hindered by complex loss landscapes that make their trainability challenging. Quantum natural gradient descent, which leverages the geometry of the parameterized space through quantum generalizations of the Fisher information matrix, offers a promising solution but has been largely limited to pure-state scenarios, with only approximate methods available for mixed-state settings. This paper addresses this question, originally posed in [Stokes et al., Quantum 4, 269 (2020)], by providing exact methods to compute three quantum generalizations of the Fisher information matrix-the Fisher-Bures, Wigner-Yanase, and Kubo-Mori information matrices-for PQCs initialized with thermal states. We prove that these matrix elements can be estimated using quantum algorithms combining the Hadamard test, classical random sampling, and Hamiltonian simulation. By broadening the set of quantum generalizations of Fisher information and realizing their unbiased estimation, our results enable the implementation of quantum natural gradient descent algorithms for mixed-state PQCs, thereby enhancing the flexibility of optimization when using VQAs. Another immediate consequence of our findings is to establish fundamental limitations on the ability to estimate the parameters of a state generated by an unknown PQC, when given sample access to such a state.