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arXiv:2501.17689 · International Symposium on Lattice Field Theory (LATTICE)

Machine-Learning-Enhanced Optimization of Noise-Resilient Variational Quantum Eigensolvers

Luca Johannes Wagner, Kim A. Nicoli, Lena Funcke

Published Feb 21, 2025• 0 citations
arXivHTMLPDF

Abstract

Variational Quantum Eigensolvers (VQEs) are a powerful class of hybrid quantum-classical algorithms designed to approximate the ground state of a quantum system described by its Hamiltonian. VQEs hold promise for various applications, including lattice field theory. However, the inherent noise of Noisy Intermediate-Scale Quantum (NISQ) devices poses a significant challenge for running VQEs as these algorithms are particularly susceptible to noise, e.g., measurement shot noise and hardware noise. In a recent work, it was proposed to enhance the classical optimization of VQEs with Gaussian Processes (GPs) and Bayesian Optimization, as these machine-learning techniques are well-suited for handling noisy data. In these proceedings, we provide additional insights into this new algorithm and present further numerical experiments. In particular, we examine the impact of hardware noise and error mitigation on the algorithm's performance. We validate the algorithm using classical simulations of quantum hardware, including hardware noise benchmarks, which have not been considered in previous works. Our numerical experiments demonstrate that GP-enhanced algorithms can outperform state-of-the-art baselines, laying the foundation for future research on deploying these techniques to real quantum hardware and lattice field theory setups.

DOI
10.22323/1.466.0417

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Variational Quantum Eigensolvers (VQEs) are a powerful class of hybrid quantum-classical algorithms designed to approximate the ground state of a quantum system described by its Hamiltonian. VQEs hold promise for various applications, including lattice field theory. However, the inherent noise of Noisy Intermediate-Scale Quantum (NISQ) devices poses a significant challenge for running VQEs as these algorithms are particularly susceptible to noise, e.g., measurement shot noise and hardware noise. In a recent work, it was proposed to enhance the classical optimization of VQEs with Gaussian Processes (GPs) and Bayesian Optimization, as these machine-learning techniques are well-suited for handling noisy data. In these proceedings, we provide additional insights into this new algorithm and present further numerical experiments. In particular, we examine the impact of hardware noise and error mitigation on the algorithm's performance. We validate the algorithm using classical simulations of quantum hardware, including hardware noise benchmarks, which have not been considered in previous works. Our numerical experiments demonstrate that GP-enhanced algorithms can outperform state-of-the-art baselines, laying the foundation for future research on deploying these techniques to real quantum hardware and lattice field theory setups.
Abstract The emergence of noisy intermediate-scale quantum (NISQ) devices has fueled the development of hybrid quantum-classical algorithms for machine learning (ML), promising potential advantages over classical methods. However, the practical efficacy of these algorithms remains uncertain due to challenges like noise susceptibility, trainability issues, and a lack of rigorous benchmarking. This study presents a comprehensive empirical evaluation of two flagship hybrid algorithms the Variational Quantum Eigensolver (VQE) for classification and the Quantum Approximate Optimization Algorithm (QAOA) for combinatorial optimization against state-of-the-art classical baselines under equivalent resource constraints. Through extensive simulations incorporating realistic noise models, we demonstrate that while these quantum approaches achieve competitive performance (e.g., 91.2% accuracy for VQE on a binary classification task), they consistently underperformed optimized classical models like Support Vector Machines (94.8% accuracy) and require orders of magnitude more computational time. Furthermore, we provide empirical validation of critical barriers to scalability, including the barren plateau phenomenon and significant performance degradation under noise, even with advanced error mitigation. Our results indicate that for the tasks studied, current NISQ era algorithms do not yet provide a tangible quantum advantage. This work contributes a rigorous benchmarking framework and a critical, realistic assessment of the field, suggesting that future progress hinges on fundamental algorithmic innovations and hardware improvements rather than incremental refinements of existing paradigms.
The variational quantum eigensolver (VQE) is a hybrid quantum-classical algorithm used to find the ground state of a Hamiltonian using variational methods. In the context of this Lattice symposium, the procedure can be used to study lattice gauge theories (LGTs) in the Hamiltonian formulation. Bayesian optimization (BO) based on Gaussian process regression (GPR) is a powerful algorithm for finding the global minimum of a cost function, e.g. the energy, with a very low number of iterations using data affected by statistical noise. This work proposes an implementation of GPR and BO specifically tailored to perform VQE on quantum computers already available today.
The variational quantum eigensolver (VQE) is a hybrid quantum-classical algorithm used to find the ground state of a Hamiltonian using variational methods. In the context of this Lattice symposium, the procedure can be used to study lattice gauge theories (LGTs) in the Hamiltonian formulation. Bayesian optimization (BO) based on Gaussian process regression (GPR) is a powerful algorithm for finding the global minimum of a cost function, e.g. the energy, with a very low number of iterations using data affected by statistical noise. This work proposes an implementation of GPR and BO specifically tailored to perform VQE on quantum computers already available today.
We present a collection of optimizers tuned for usage on Noisy Intermediate-Scale Quantum (NISQ) devices. Optimizers have a range of applications in quantum computing, including the Variational Quantum Eigensolver (VQE) and Quantum Approximate Optimization (QAOA) algorithms. They are also used for calibration tasks, hyperparameter tuning, in machine learning, etc. We analyze the efficiency and effectiveness of different optimizers in a VQE case study. VQE is a hybrid algorithm, with a classical minimizer step driving the next evaluation on the quantum processor. While most results to date concentrated on tuning the quantum VQE circuit, we show that, in the presence of quantum noise, the classical minimizer step needs to be carefully chosen to obtain correct results. We explore state-of-the-art gradient-free optimizers capable of handling noisy, black-box, cost functions and stress-test them using a quantum circuit simulation environment with noise injection capabilities on individual gates. Our results indicate that specifically tuned optimizers are crucial to obtaining valid science results on NISQ hardware, and will likely remain necessary even for future fault tolerant circuits.
Abstract The variational quantum eigensolver (VQE) is a hybrid quantum–classical algorithm for preparing ground states in the current era of noisy devices. The classical component of the algorithm requires a large number of measurements on intermediate parameter values that are typically discarded. However, intermediate steps across many calculations can contain valuable information about the relationship between the quantum circuit parameters, resultant measurements, and noise specific to the device. This information would be useful when analysing families of Hamiltonians such as for potential energy landscapes for molecular interaction with catalytic surfaces or confinement in metal–organic-frameworks. In this work, we use supervised machine learning on the intermediate parameter and measurement data to amortise prediction of optimal final parameters across families of Hamiltonians. Our technique optimises parameters leading to chemically accurate ground state energies much faster than conventional techniques. It requires significantly fewer iterations and simultaneously shows the ability to find noise-aware angles if trained on noisy devices even with noise drift. We demonstrate this technique on IBM quantum devices by predicting ground state energies of H 2 for one and two qubits; H 3 for three qubits; and HeH + for four qubits where it finds optimal angles using only modelled data for training. Our technique amortises classical optimisation across multiple VQE runs, resulting in significantly faster overall classical optimisation without additional quantum overhead compared to running VQE.
The variational quantum eigensolver (VQE) is a hybrid algorithm that has the potential to provide a quantum advantage in practical chemistry problems that are currently intractable on classical computers. VQE trains parameterized quantum circuits using a classical optimizer to approximate the eigenvalues and eigenstates of a given Hamiltonian. However, VQE faces challenges in task-specific design and machine-specific architecture, particularly when running on noisy quantum devices. This can have a negative impact on its trainability, accuracy, and efficiency, resulting in noisy quantum data. We propose variational denoising, an unsupervised learning method that employs a parameterized quantum neural network to improve the solution of VQE by learning from noisy VQE outputs. Our approach can significantly decrease energy estimation errors and increase fidelities with ground states compared to noisy input data for the H2 , LiH, and BeH2 molecular Hamiltonians and the transverse field Ising model. Surprisingly, it only requires noisy data for training. Variational denoising can be integrated into quantum hardware, increasing its versatility as an end-to-end quantum processing for quantum data. Published by the American Physical Society 2024