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arXiv:2110.15339 · Quantum

Adaptive estimation of quantum observables

Ariel Shlosberg, Andrew Jena, Priyanka Mukhopadhyay, Jan F. Haase, Felix Leditzky, Luca Dellantonio

Published Jan 26, 2023• 41 citations
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Abstract

The accurate estimation of quantum observables is a critical task in science. With progress on the hardware, measuring a quantum system will become increasingly demanding, particularly for variational protocols that require extensive sampling. Here, we introduce a measurement scheme that adaptively modifies the estimator based on previously obtained data. Our algorithm, which we call AEQuO, continuously monitors both the estimated average and the associated error of the considered observable, and determines the next measurement step based on this information. We allow both for overlap and non-bitwise commutation relations in the subsets of Pauli operators that are simultaneously probed, thereby maximizing the amount of gathered information. AEQuO comes in two variants: a greedy bucket-filling algorithm with good performance for small problem instances, and a machine learning-based algorithm with more favorable scaling for larger instances. The measurement configuration determined by these subroutines is further post-processed in order to lower the error on the estimator. We test our protocol on chemistry Hamiltonians, for which AEQuO provides error estimates that improve on all state-of-the-art methods based on various grouping techniques or randomized measurements, thus greatly lowering the toll of measurements in current and future quantum applications.

DOI
10.22331/q-2023-01-26-906

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The accurate estimation of quantum observables is a critical task in science. With progress on the hardware, measuring a quantum system will become increasingly demanding, particularly for variational protocols that require extensive sampling. Here, we introduce a measurement scheme that adaptively modifies the estimator based on previously obtained data. Our algorithm, which we call AEQuO, continuously monitors both the estimated average and the associated error of the considered observable, and determines the next measurement step based on this information. We allow both for overlap and non-bitwise commutation relations in the subsets of Pauli operators that are simultaneously probed, thereby maximizing the amount of gathered information. AEQuO comes in two variants: a greedy bucket-filling algorithm with good performance for small problem instances, and a machine learning-based algorithm with more favorable scaling for larger instances. The measurement configuration determined by these subroutines is further post-processed in order to lower the error on the estimator. We test our protocol on chemistry Hamiltonians, for which AEQuO provides error estimates that improve on all state-of-the-art methods based on various grouping techniques or randomized measurements, thus greatly lowering the toll of measurements in current and future quantum applications.
The accurate estimation of observables is a crucial task in quantum computing. Recent advances have highlighted the need for (a) specialized protocols for qudit-based devices, that include (b) error-aware strategies. Here, we present AQUIRE, the first protocol that can (a) accurately estimate both the mean and the error of an observable on qudit-based quantum computers. AQUIRE achieves this by constructing a Bayesian model to accommodate generalized Pauli operators. It is designed to continuously monitor the estimated average and the associated error of the observable, adjusting the subsequent measurements in real-time. Additionally, AQUIRE is (b) device- and experiment-specific error-aware, and accounts for hardware imperfections and experimental noise during the estimation process. We demonstrate AQUIRE's advantage via numerical simulations and showcase its ability to quantify the noise affecting the estimation by implementing it on a trapped-ion qudit quantum processor. By exploiting general commutation relations and overlap grouping measurements, our protocol is state-of-the-art when restricted to qubit-based quantum computers and extends this advantage to the qudit case.
Many prominent quantum computing algorithms with applications in fields such as chemistry and materials science require a large number of measurements, which represents an important roadblock for future real-world use cases.We introduce a novel approach to tackle this problem through an adaptive measurement scheme.We present an algorithm that optimizes informationally complete positive operator-valued measurements (POVMs) on the fly in order to minimize the statistical fluctuations in the estimation of relevant cost functions.We show its advantage by improving the efficiency of the variational quantum eigensolver in calculating ground-state energies of molecular Hamiltonians with extensive numerical simulations.Our results indicate that the proposed method is competitive with state-of-the-art measurement-reduction approaches in terms of efficiency.In addition, the informational completeness of the approach offers a crucial advantage, as the measurement data can be reused to infer other quantities of interest.We demonstrate the feasibility of this prospect by reusing ground-state energy-estimation data to perform high-fidelity reduced state tomography.
Accurately estimating expectation values of quantum observables with as few measurements as possible is crucial to many quantum computing applications. We introduce a framework that covers many of existing measurement strategies and introduce heuristics that can be used to enhance randomized schemes, including those based on Pauli grouping with inverse probability weighting and variants of the classical shadow algorithm. We show how to maximize information gain from such schemes, while carefully optimizing the distribution of possible measurements, and show that simple grouping algorithms can get close to, and in some cases exceed, state-of-the-art accuracy for unbiased estimation of expectation values on a standard quantum chemistry benchmark. We show how these randomized methods may be compared to more recent measurement schemes, such as shadow grouping, derandomized shadow, and overlapped grouping measurement, we show how the same strategies can be used to augment these schemes, and we demonstrate that we can reduce measurement costs by up to a factor of two by allowing Clifford measurement circuits for otherwise Clifford-less methods.
Quantum-phase-estimation algorithms are critical subroutines in many applications for quantum computers and in quantum-metrology protocols. These algorithms estimate the unknown strength of a unitary evolution. By using coherence or entanglement to sample the unitary NtotN_{\mathrm{tot}}Ntot​ times, the variance of the estimates can scale as O(1/Ntot2)O(1/{N^2_{\mathrm{tot}}})O(1/Ntot2​), compared to the best ``classical'' strategy with O(1/Ntot)O(1/{N_{\mathrm{tot}}})O(1/Ntot​). The original algorithm for quantum phase estimation cannot be implemented on near-term hardware as it requires large-scale entangled probes and fault-tolerant quantum computing. Therefore, alternative algorithms have been introduced that rely on coherence and statistical inference. These algorithms produce quantum-boosted phase estimates without inter-probe entanglement. This family of phase-estimation algorithms have, until now, never exhibited the possibility of achieving optimal scaling O(1/Ntot2)O(1/{N^2_{\mathrm{tot}}})O(1/Ntot2​). Moreover, previous works have not considered the effect of noise on these algorithms. Here, we present a coherence-based phase-estimation algorithm which can achieve the optimal quadratic scaling in the mean absolute error and the mean squared error. In the presence of noise, our algorithm produces errors that approach the theoretical lower bound. The optimality of our algorithm stems from its adaptive nature: Each step is determined, iteratively, using a Bayesian protocol that analyses the results of previous steps.
There is growing interest in constructing quantum devices that control increasingly large numbers of quantum systems. There is a tremendous need for methods that can measure the quality and other properties of these devices. Such measurements often amount to learning the expectation value of a quantum observable with respect to the quantum state of the device. Learning expectation values is also a key component in many well-known applications such as quantum machine learning and quantum optimization algorithms. Because of the large system sizes involved, it is essential to find methods for learning expectation values that are efficient with respect to the system size. Existing methods that have rigorous guarantees and are practical to implement are often not optimal for observables of interest. Other methods are heuristic, or require the use measurement protocols that are challenging to implement experimentally with current technology. In this study, we propose an estimation procedure, The Optimal Observable expectation value Learner or TOOL, that can learn the expectation values of observables using the outcomes of any given measurement protocol. We show that there is a seminorm on the set of all observables, which we call the minimax norm, that characterizes the smallest possible estimation error for learning a given observable using the outcomes of a given non-adaptive measurement protocol to a specified confidence level in the worst case over all states. We prove that TOOL is minimax optimal for every observable by showing that it can achieve an estimation error to within a small constant factor of the minimax norm. For many applications, one wishes to learn the expectation value of more than one observable from the same experiment. A popular method for learning the expectation values of one or many observables with rigorous guarantees is classical shadows. Classical shadows has near-optimal performance in the worst case over all observables. We prove that TOOL always performs at least as well as classical shadows. Moreover, we show by example that TOOL dramatically outperforms classical shadows for many observables of interest. This highlights the need to characterize the optimal performance for the task of simultaneously learning the expectation values of many observables. Under a mild assumption, we give such a characterization using the minimax norm and prove that TOOL is nearly minimax optimal for this task. We also study the applications of TOOL to fidelity estimation. Using experimental data from a trapped-ion quantum computer, we show that TOOL performs well in practice and matches the estimates obtained from Maximum Likelihood Estimation (MLE), but with rigorous guarantees on the estimation error unlike MLE. We also compare TOOL with another popular method called direct fidelity estimation, which estimates the fidelity by judiciously sampling Pauli observables and measuring them. We show that there is a different importance sampling scheme for Pauli measurements for which TOOL performs as well as, or better than, direct fidelity estimation. Since TOOL constructs an estimator using only the observable, the measurement protocol, and the confidence level, it provides the flexibility to perform estimation for experiments that have already been performed and experiments that will be performed in the future. Similarly, since the minimax norm can be computed beforehand, it can be used to compare the performance of different measurement protocols and allow minimax optimal design of experiments.
Measuring the state of quantum computers is a highly non-trivial task, with implications for virtually all quantum algorithms. A promising avenue is multi-copy schemes, where identical copies of a quantum state are measured jointly so that all Pauli operators within the considered observable can be simultaneously assessed. Here, we present a first implementation of such a two-copy scheme in a measurement protocol. Based on Bayesian statistics, it accurately estimates not only the average of the desired observable but also the error en route. This enables an adaptive shot-allocation algorithm that preferentially samples the most uncertain Pauli terms. In regimes with many non-commuting Pauli operators, this “double'' scheme can outperform the state-of-the-art measurement protocol in minimizing total shots for a given precision. We also numerically confirm the finding in previous theoretical works that the two-copy scheme incurs an overhead due to the square-root relationship between the variance of measured quantities and the number of measurement shots.