Variational quantum algorithms are promising tools whose efficacy depends on their optimization method. For noise-free unitary circuits, the quantum generalization of natural gradient descent has been introduced and shown to be equivalent to imaginary time evolution: the approach is effective due to a metric tensor reconciling the classical parameter space to the device's Hilbert space. Here we generalize quantum natural gradient to consider arbitrary quantum states (both mixed and pure) via completely positive maps; thus our circuits can incorporate both imperfect unitary gates and fundamentally nonunitary operations such as measurements. We employ the quantum Fisher information (QFI) as the core metric in the space of density operators. A modification of the error suppression by derangements (ESD) and virtual distillation (VD) techniques enables an accurate and experimentally efficient approximation of the QFI via the Hilbert-Schmidt metric tensor using prior results on the dominant eigenvector of noisy quantum states. Our rigorous proof also establishes the fundamental observation that the geometry of typical noisy quantum states is (approximately) identical in either the Hilbert-Schmidt metric or as characterized by the QFI. In numerical simulations of noisy quantum circuits we demonstrate the practicality of our approach and confirm it can significantly outperform other variational techniques.
Variational quantum algorithms are promising tools whose efficacy depends on their optimization method. For noise-free unitary circuits, the quantum generalization of natural gradient descent has been introduced and shown to be equivalent to imaginary time evolution: the approach is effective due to a metric tensor reconciling the classical parameter space to the device's Hilbert space. Here we generalize quantum natural gradient to consider arbitrary quantum states (both mixed and pure) via completely positive maps; thus our circuits can incorporate both imperfect unitary gates and fundamentally nonunitary operations such as measurements. We employ the quantum Fisher information (QFI) as the core metric in the space of density operators. A modification of the error suppression by derangements (ESD) and virtual distillation (VD) techniques enables an accurate and experimentally efficient approximation of the QFI via the Hilbert-Schmidt metric tensor using prior results on the dominant eigenvector of noisy quantum states. Our rigorous proof also establishes the fundamental observation that the geometry of typical noisy quantum states is (approximately) identical in either the Hilbert-Schmidt metric or as characterized by the QFI. In numerical simulations of noisy quantum circuits we demonstrate the practicality of our approach and confirm it can significantly outperform other variational techniques.
Variational quantum circuits are promising tools whose efficacy depends on their optimisation method. For noise-free unitary circuits, the quantum generalisation of natural gradient descent was recently introduced. The method can be shown to be equivalent to imaginary time evolution, and is highly effective due to a metric tensor reconciling the classical parameter space to the device's Hilbert space. Here we generalise quantum natural gradient to consider arbitrary quantum states (both mixed and pure) via completely positive maps; thus our circuits can incorporate both imperfect unitary gates and fundamentally non-unitary operations such as measurements. Whereas the unitary variant relates to classical Fisher information, here we find that quantum Fisher information defines the core metric in the space of density operators. Numerical simulations indicate that our approach can outperform other variational techniques when circuit noise is present. We finally assess the practical feasibility of our implementation and argue that its scalability is only limited by the number and quality of imperfect gates and not by the number of qubits.
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 natural gradient descent optimisation technique is an efficient optimising protocol for broad classes of classical and quantum systems that takes the underlying geometry of the parameter manifold into account by means of using either the Fisher information metric of the classical probability distribution function or the Fubini-Study tensor of the associated parametrised quantum states in the consequent update rules. Even though the natural gradient descent procedure utilises the geometry of the space of probability or states, it is, however, insensitive to the measure of parametrised distance on the space of possible outcomes when the corresponding optimising problem is considered for the expectation value of a classical or quantum observable with respect to the probability distribution or the quantum state. In this work, we introduce a generic optimising principle, where the intrinsic geometry of the space of outcomes has been taken into account suitably, either by using an ambient space construction with a base statistical manifold with the usual Fisher information metric (or the Fubini-Study tensor), where the loss hypersurface is embedded to, or by means of a first-principle construction from the overlap of nearby quantum states on the projective Hilbert space. This construction as well as a family of conformal variants yields a form of loss-aware natural gradient updates that rescale the effective step size while preserving the descent direction. We benchmark the resulting optimisers on variational quantum circuit examples and on a classical neural network task, finding that, while the standard natural gradient remains the most robust on average, the proposed conformal schemes can improve best-case convergence in favourable regimes.
Quantum natural gradient has emerged as a superior minimisation technique in quantum variational algorithms. Classically simulating the algorithm running on near-future quantum hardware is paramount in its study, as it is for all variational algorithms. In this case, state-vector simulation of the P-parameter/gate ansatz circuit does not dominate the runtime; instead, calculation of the Fisher information matrix becomes the bottleneck, involving O(P^3) gate evaluations, though this can be reduced to O(P^2) gates by using O(P) temporary state-vectors. This is similar to the gradient calculation subroutine dominating the simulation of quantum gradient descent, which has attracted HPC strategies and bespoke simulation algorithms with asymptotic speedups. We here present a novel simulation strategy to precisely calculate the quantum natural gradient in O(P^2) gates and O(1) state-vectors. While more complicated, our strategy is in the same spirit as that presented for gradients in Reference 6, and involves iteratively evaluating recurrent forms of the Fisher information matrix. Our strategy uses only "apply gate", "clone state" and "inner product" operations which are present in practically all quantum computing simulators. It is furthermore compatible with parallelisation schemes, like hardware acceleration and distribution. Since our scheme leverages a form of the Fisher information matrix for strictly unitary ansatz circuits, it cannot be simply extended to density matrix simulation of quantum natural gradient with non-unitary circuits.
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.
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.