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arXiv:2211.08780 · Quantum

Noise-robust ground state energy estimates from deep quantum circuits

Harish J. Vallury, Michael A. Jones, Gregory A. L. White, Floyd M. Creevey, Charles D. Hill, Lloyd C. L. Hollenberg

Published Sep 11, 2023• 8 citations
arXivHTMLPDF

Abstract

In the lead up to fault tolerance, the utility of quantum computing will be determined by how adequately the effects of noise can be circumvented in quantum algorithms. Hybrid quantum-classical algorithms such as the variational quantum eigensolver (VQE) have been designed for the short-term regime. However, as problems scale, VQE results are generally scrambled by noise on present-day hardware. While error mitigation techniques alleviate these issues to some extent, there is a pressing need to develop algorithmic approaches with higher robustness to noise. Here, we explore the robustness properties of the recently introduced quantum computed moments (QCM) approach to ground state energy problems, and show through an analytic example how the underlying energy estimate explicitly filters out incoherent noise. Motivated by this observation, we implement QCM for a model of quantum magnetism on IBM Quantum hardware to examine the noise-filtering effect with increasing circuit depth. We find that QCM maintains a remarkably high degree of error robustness where VQE completely fails. On instances of the quantum magnetism model up to 20 qubits for ultra-deep trial state circuits of up to 500 CNOTs, QCM is still able to extract reasonable energy estimates. The observation is bolstered by an extensive set of experimental results. To match these results, VQE would need hardware improvement by some 2 orders of magnitude on error rates.

DOI
10.22331/q-2023-09-11-1109

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In the lead up to fault tolerance, the utility of quantum computing will be determined by how adequately the effects of noise can be circumvented in quantum algorithms. Hybrid quantum-classical algorithms such as the variational quantum eigensolver (VQE) have been designed for the short-term regime. However, as problems scale, VQE results are generally scrambled by noise on present-day hardware. While error mitigation techniques alleviate these issues to some extent, there is a pressing need to develop algorithmic approaches with higher robustness to noise. Here, we explore the robustness properties of the recently introduced quantum computed moments (QCM) approach to ground state energy problems, and show through an analytic example how the underlying energy estimate explicitly filters out incoherent noise. Motivated by this observation, we implement QCM for a model of quantum magnetism on IBM Quantum hardware to examine the noise-filtering effect with increasing circuit depth. We find that QCM maintains a remarkably high degree of error robustness where VQE completely fails. On instances of the quantum magnetism model up to 20 qubits for ultra-deep trial state circuits of up to 500 CNOTs, QCM is still able to extract reasonable energy estimates. The observation is bolstered by an extensive set of experimental results. To match these results, VQE would need hardware improvement by some 2 orders of magnitude on error rates.
The variational quantum eigensolver (VQE) is a promising algorithm to demonstrate quantum advantage on near-term noisy-intermediate-scale quantum (NISQ) computers. One central problem of VQE is the effect of noise, especially physical noise, on realistic quantum computers. We systematically study the effect of noise for the VQE algorithm by performing numerical simulations with various local noise models, including amplitude damping, dephasing, and depolarizing noise. We show that the ground state energy will deviate from the exact value as the noise probability increase, and typically, the noise will accumulate as the circuit depth increase. The results suggest that the noisy quantum system can remain entanglement at the noise level of NISQ devices by comparing the VQE solution with the mean-field solution for the many-body ground state problem. We build a noise model to capture the noise in a real quantum computer, and the corresponding numerical simulation is consistent with experimental results on IBM Quantum computers through cloud. Our work sheds new light on the practical research of noisy VQE, and the deep understanding of the noise effect of VQE will also help develop error mitigation techniques on near-term quantum computers.
molecule, emphasizing practical implementation and performance on current quantum hardware. Our research presents a comparative study of HEA and UCCSD ansätze on noiseless and noisy simulations and implements VQE on recent IBM quantum computer noise models and a real quantum computer, IBM Fez, providing a fully functional code employing Qiskit 1.2. Our experiments confirm UCCSD's reliability in ideal conditions, while the HEA demonstrates greater robustness to hardware noise, achieving chemical accuracy on state-vector simulation (SVS). The results reveal that achieving ground-state energy within chemical accuracy is feasible without error mitigation during VQE convergence. We demonstrate that current quantum devices effectively optimize circuit parameters despite misestimating simulated energies. The SVS-evaluated energies provide a more accurate representation of the solution quality compared to QPU-estimated energy values, indicating that VQE converges to the correct ground state despite quantum noise. Our study also applies noise mitigation as a postprocessing technique, using zero-noise extrapolation (ZNE) on a real quantum computer. The detailed methodologies presented in this study, including Hamiltonian construction and Fermionic-to-qubit transformations, facilitate flexible adaptation of the VQE approach for various algorithm variants and across different levels of algorithmic implementation.
Quantum computers offer a route to outperform classical methods in tasks such as molecular simulation, motivating hybrid algorithms like the Variational Quantum Eigensolver (VQE) for near-term devices. Silicon spin qubits are a promising platform for scalable quantum computation, but their performance is limited by hardware imperfections -- most notably charge-noise-induced potential fluctuations and static miscalibration of gate-electrode voltages -- which degrade quantum gate fidelities and, ultimately, algorithmic accuracy. Here we develop a hardware-algorithm co-simulation framework for silicon quantum-dot processors that links 3D electrostatics to effective ggg-factors and exchange couplings, and propagates voltage-level noise through realistic control pulses. Using VQE for H2\mathrm{H}_2H2​ ground-state energy estimation as a circuit-level testbed, we study both static scaling/offset errors on the gate-electrode voltages and stochastic fluctuations modeled as random-telegraph noise with tunable amplitudes and switching times. At the gate level, we show that exchange-based two-qubit gates are roughly an order of magnitude more sensitive to these types of noise than ESR-driven single-qubit rotations. Quantum process tomography and Kraus-operator analysis further distinguish coherent and incoherent contributions and quantify the fraction of error that is, in principle, correctable by a compensating unitary. Embedding these noise models into the VQE circuit, we identify regimes of miscalibration strength and noise switching time compatible with chemically accurate energy estimates, and discuss how statistical post-processing based on the full distribution of noisy energy estimates could further improve accuracy.
Quantum chemistry and materials is one of the most promising applications of quantum computing. Yet much work is still to be done in matching industry-relevant problems in these areas with quantum algorithms that can solve them. Most previous efforts have carried out resource estimations for quantum algorithms run on large-scale fault-tolerant architectures, which include the quantum phase estimation algorithm. In contrast, few have assessed the performance of near-term quantum algorithms, which include the variational quantum eigensolver (VQE) algorithm. Recently, a large-scale benchmark study [Gonthier et al. 2020] found evidence that the performance of the variational quantum eigensolver for a set of industry-relevant molecules may be too inefficient to be of practical use. This motivates the need for developing and assessing methods that improve the efficiency of VQE. In this work, we predict the runtime of the energy estimation subroutine of VQE when using robust amplitude estimation (RAE) to estimate Pauli expectation values. Under conservative assumptions, our resource estimation predicts that RAE can reduce the runtime over the standard estimation method in VQE by one to two orders of magnitude. Despite this improvement, we find that the runtimes are still too large to be practical. These findings motivate two complementary efforts towards quantum advantage: 1) the investigation of more efficient near-term methods for ground state energy estimation and 2) the development of problem instances that are of industrial value and classically challenging, but better suited to quantum computation.
Abstract Quantum computers offer a route to outperform classical methods in tasks such as molecular simulation, motivating hybrid algorithms like the variational quantum eigensolver (VQE) for near-term devices. Silicon spin qubits are a promising platform for scalable quantum computation, but their performance is limited by hardware imperfections—most notably charge-noise–induced potential fluctuations and static miscalibration of gate-electrode voltages—which degrade quantum gate fidelities and, ultimately, algorithmic accuracy. Here we develop a hardware–algorithm co-simulation framework for silicon quantum-dot processors that links 3D electrostatics to effective g -factors and exchange couplings, and propagates voltage-level noise through realistic control pulses. Using VQE for H 2 ground-state energy estimation as a circuit-level testbed, we study both static scaling/offset errors on the gate-electrode voltages and stochastic fluctuations modeled as random-telegraph noise with tunable amplitudes and switching times. At the gate level, we show that exchange-based two-qubit gates are roughly an order of magnitude more sensitive to these types of noise than ESR-driven single-qubit rotations. Quantum process tomography and Kraus-operator analysis further distinguish coherent and incoherent contributions and quantify the fraction of error that is, in principle, correctable by a compensating unitary. Embedding these noise models into the VQE circuit, we identify regimes of miscalibration strength and noise switching time compatible with chemically accurate energy estimates, and discuss how statistical post-processing based on the full distribution of noisy energy estimates could further improve accuracy.
The variational principle of quantum mechanics is the backbone of hybrid quantum computing for a range of applications. However, as the problem size grows, quantum logic errors and the effect of barren plateaus overwhelm the quality of the results. There is now a clear focus on strategies that require fewer quantum circuit steps and are robust to device errors. Here we present an approach in which problem complexity is transferred to dynamic quantities computed on the quantum processor - Hamiltonian moments, ⟨Hn⟩\langle H^n\rangle⟨Hn⟩. From these quantum computed moments, estimates of the ground-state energy are obtained using the "infinum" theorem from Lanczos cumulant expansions which manifestly correct the associated variational calculation. With system dynamics encoded in the moments the burden on the trial-state quantum circuit depth is eased. The method is introduced and demonstrated on 2D quantum magnetism models on lattices up to 5 ×\times× 5 (25 qubits) implemented on IBM Quantum superconducting qubit devices. Moments were quantum computed to fourth order with respect to a parameterised antiferromagnetic trial-state. A comprehensive comparison with benchmark variational calculations was performed, including over an ensemble of random coupling instances. The results showed that the infinum estimate consistently outperformed the benchmark variational approach for the same trial-state. These initial investigations suggest that the quantum computed moments approach has a high degree of stability against trial-state variation, quantum gate errors and shot noise, all of which bodes well for further investigation and applications of the approach.