The experimental evaluation of many quantum mechanical quantities requires the estimation of several directly measurable observables, such as local observables. Due to the necessity to repeat experiments on individual quantum systems in order to estimate expectation values of observables, the question of how many repetitions to allocate to a given directly measurable observable arises. We show that an active learning scheme can help to improve such allocations, and the resultant decrease in experimental repetitions required to evaluate a quantity with the desired accuracy increases with the size of the underlying quantum mechanical system. Published by the American Physical Society 2024
The experimental evaluation of many quantum mechanical quantities requires the estimation of several directly measurable observables, such as local observables. Due to the necessity to repeat experiments on individual quantum systems in order to estimate expectation values of observables, the question of how many repetitions to allocate to a given directly measurable observable arises. We show that an active learning scheme can help to improve such allocations, and the resultant decrease in experimental repetitions required to evaluate a quantity with the desired accuracy increases with the size of the underlying quantum mechanical system. Published by the American Physical Society 2024
We address how one can empirically infer properties of quantum states generated by dynamics involving measurements. Our focus is on many-body settings where the number of measurements is extensive, making brute-force approaches based on postselection intractable due to their exponential sample complexity. We introduce a general-purpose scheme that can be used to infer any property of the postmeasurement ensemble of states (e.g., the average entanglement entropy, or frame potential) using a scalable number of experimental repetitions. We first identify a general class of “estimable properties” that can be directly extracted from experimental data. Then, based on empirical observations of such quantities, we show how one can indirectly infer information about any particular given nonestimable quantity of interest through classical postprocessing. Our approach is based on an optimization task, where one asks what are the minimum and maximum values that the desired quantity could possibly take, while ensuring consistency with observations. The true value of this quantity must then lie within a feasible range between these extrema, resulting in two-sided bounds. Narrow feasible ranges can be obtained by using a classical simulation of the device to determine which estimable properties one should measure. Even in cases where this simulation is inaccurate, unambiguous information about the true value of a given quantity realized on the quantum device can be learned. As an immediate application, we show that our method can be used to verify the emergence of quantum state designs in experiments. We identify some fundamental obstructions that in some cases prevent sharp knowledge of a given quantity from being inferred, and discuss what can be learned in cases where classical simulation is too computationally demanding to be feasible. In particular, we prove that any observer who cannot perform a classical simulation cannot distinguish the output states from those sampled from a maximally structureless ensemble. Published by the American Physical Society 2024
We present a learning algorithm for discovering conservation laws given as sums of geometrically local observables in quantum dynamics. This includes conserved quantities that arise from local and global symmetries in closed and open quantum many-body systems. The algorithm combines the classical shadow formalism for estimating expectation values of observable and data analysis techniques based on singular value decompositions and robust polynomial interpolation to discover all such conservation laws in unknown quantum dynamics with rigorous performance guarantees. Our method can be directly realized in quantum experiments, which we illustrate with numerical simulations, using closed and open quantum system dynamics in a Z2 gauge theory and in many-body localized spin chains. Published by the American Physical Society 2024
Experimental characterizations of a quantum system involve the measurement of expectation values of observables for a preparable state $\ensuremath{\mid}\ensuremath{\psi}⟩$ of the quantum system. Such expectation values can be measured by repeatedly preparing $\ensuremath{\mid}\ensuremath{\psi}⟩$ and coupling the system to an apparatus. For this method, the precision of the measured value scales as N1 for N repetitions of the experiment. For the problem of estimating the parameter $\ensuremath{\phi}$ in an evolution ${e}^{\ensuremath{-}i\ensuremath{\phi}H}$, it is possible to achieve precision N1 [the quantum metrology limit; see Giovannetti et al., Phys. Rev. Lett. 96, 010401 (2006)] provided that sufficient information about H and its spectrum is available. We consider the more general problem of estimating expectations of operators A with minimal prior knowledge of A. We give explicit algorithms that approach precision N1 given a bound on the eigenvalues of A or on their tail distribution. These algorithms are particularly useful for simulating quantum systems on quantum computers because they enable efficient measurement of observables and correlation functions. Our algorithms are based on a method for efficiently measuring the complex overlap of $\ensuremath{\mid}\ensuremath{\psi}⟩$ and $U\ensuremath{\mid}\ensuremath{\psi}⟩$, where U is an implementable unitary operator. We explicitly consider the issue of confidence levels in measuring observables and overlaps and show that, as expected, confidence levels can be improved exponentially with linear overhead. We further show that the algorithms given here can typically be parallelized with minimal increase in resource usage.
We present a technique for enhancing the estimation of quantum state properties by incorporating approximate prior knowledge about the quantum state. This consists in performing randomized measurements on a quantum processor and comparing the results with those obtained from a classical computer that stores an approximation of the quantum state. We provide unbiased estimators for expectation values of multicopy observables and present performance guarantees in terms of variance bounds that depend on the prior knowledge accuracy. We demonstrate the effectiveness of our approach through experimental and numerical examples detecting mixed-state entanglement, and estimating polynomial approximations of the von Neumann entropy and state fidelities. Published by the American Physical Society 2024
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.
Randomized quantum algorithms for the estimation of expectation values of molecular observables offer a promising route to early fault-tolerant quantum advantage by trading circuit depth for an increased number of samples. However, this begs the question whether the resulting measurement overhead remains feasible for industrially relevant molecular systems. In this work, we benchmark the randomized sampling algorithm of Wang et al. [1] through numerical simulations on a hydrogen molecule and resource estimates for various active spaces of the cytochrome P450, an industry-relevant system in the pharmaceutical industry. Our numerical simulations reveal that the analytical error bounds significantly overestimate the actual sampling error, whereas the analytical bound on the required imaginary evolution time is comparatively tight, exceeding a direct DMRG estimate by roughly 44% for the active space where the comparison is feasible. The measurement overhead nevertheless remains prohibitively high: even for the smallest active spaces, the expectation-value estimation alone requires around 1010 samples, scaling to beyond 1015 for the largest active spaces considered. These results suggest that substantial improvements in measurement strategies or algorithmic scaling are necessary before randomized early-fault-tolerant algorithms become competitive for industrial quantum chemistry applications.