The accurate and efficient energy estimation of quantum Hamiltonians consisting of Pauli observables is an essential task in modern quantum computing. We introduce a Resource-Optimized Grouping Shadow (ROGS) algorithm, which optimally allocates measurement resources by minimizing the estimation error bound through a novel overlapped grouping strategy and convex optimization. Our numerical experiments demonstrate that ROGS requires significantly fewer unique quantum circuits for accurate estimation accuracy compared to existing methods given a fixed measurement budget, addressing a major cost factor for compiling and executing circuits on quantum computers.
The accurate and efficient energy estimation of quantum Hamiltonians consisting of Pauli observables is an essential task in modern quantum computing. We introduce a Resource-Optimized Grouping Shadow (ROGS) algorithm, which optimally allocates measurement resources by minimizing the estimation error bound through a novel overlapped grouping strategy and convex optimization. Our numerical experiments demonstrate that ROGS requires significantly fewer unique quantum circuits for accurate estimation accuracy compared to existing methods given a fixed measurement budget, addressing a major cost factor for compiling and executing circuits on quantum computers.
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.
Shadow tomography addresses the task of efficiently predicting many expectation values of an unknown quantum state from randomized measurements on comparatively few copies. Existing analyses promise large scaling advantages, but the optimal strategies realizing these guarantees are not always known, and the required measurements are potentially challenging to implement on current hardware. We address this gap for Pauli observables by computing optimal sample-complexity parameters and constructing optimal measurement strategies under realistic resource constraints. We focus on memoryless protocols, where each copy is measured only once, and on measurements with bounded interaction range. Our approach reduces the problem to the analysis of graph parameters of the frustration graph encoding the Pauli anticommutation relations. We provide efficient numerical methods for the general case and analytically prove that Clifford measurements are optimal in many situations. This includes all perfect graphs, all single-qubit, all two-qubit measurement scenarios, and more. Applied to Hamiltonian energy estimation, our framework yields constructive strategies and improved variance bounds for molecular benchmarks.
Estimation of the energy of quantum many-body systems is a paradigmatic task in various research fields. In particular, efficient energy estimation may be crucial in achieving a quantum advantage for a practically relevant problem. For instance, the measurement effort poses a critical bottleneck for variational quantum algorithms. We aim to find the optimal strategy with single-qubit measurements that yields the highest provable accuracy given a total measurement budget. As a central tool, we establish new tail bounds for empirical estimators of the energy. They are helpful for identifying measurement settings that improve the energy estimate the most. This task constitutes an NP-hard problem. However, we are able to circumvent this bottleneck and use the tail bounds to develop a practical, efficient estimation strategy, which we call ShadowGrouping. As the name indicates, it combines shadow estimation methods with grouping strategies for Pauli strings. In numerical experiments, we demonstrate that ShadowGrouping improves upon state-of-the-art methods in estimating the electronic ground-state energies of various small molecules, both in provable and practical accuracy benchmarks. Hence, this work provides a promising way, e.g., to tackle the measurement bottleneck associated with quantum many-body Hamiltonians.
Estimation of the energy of quantum many-body systems is a paradigmatic task in various research fields. In particular, efficient energy estimation may be crucial in achieving a quantum advantage for a practically relevant problem. For instance, the measurement effort poses a critical bottleneck for variational quantum algorithms. We aim to find the optimal strategy with single-qubit measurements that yields the highest provable accuracy given a total measurement budget. As a central tool, we establish tail bounds for empirical estimators of the energy. They are helpful for identifying measurement settings that improve the energy estimate the most. This task constitutes an NP-hard problem. However, we are able to circumvent this bottleneck and use the tail bounds to develop a practical, efficient estimation strategy, which we call ShadowGrouping. As the name indicates, it combines shadow estimation methods with grouping strategies for Pauli strings. In numerical experiments, we demonstrate that ShadowGrouping improves upon state-of-the-art methods in estimating the electronic ground-state energies of various small molecules, both in provable and practical accuracy benchmarks. Hence, this work provides a promising way, e.g., to tackle the measurement bottleneck associated with quantum many-body Hamiltonians.
Randomized protocols are procedures that incorporate probabilistic choices during their execution and they play a central role in quantum algorithms, spanning Hamiltonian simulation, noise mitigation, and measurement tasks. In practical implementations, the dominant cost of such protocols typically arises from circuit execution and measurement, and depends on hardware-specific resources such as gate counts, circuit depth, runtime, or dissipated energy. We introduce a general framework for applying classical importance sampling to randomized quantum protocols. Given a cost function for running quantum circuits, the proposed approach minimizes a net-cost figure of merit that jointly captures the computational expense per circuit and the estimator variance. We further extend the framework to scenarios where the quantum computation is subject to errors arising either from algorithmic approximations or from physical noise, proving that importance sampling preserves estimator bias despite altering the sampling distribution, and to settings with error-detection schemes, where we characterize the resulting changes in the optimal sampling strategy and achievable net-cost reduction. Representative applications include the Qdrift protocol, dephasing channels, mixed-states simulation, composite observables estimation, classical shadows, and probabilistic error cancellation. Overall, our results establish a principled approach for reducing the computational resources required by randomized quantum protocols through classical sampling optimization.
Locally-biased classical shadows allow rapid estimation of energies of quantum Hamiltonians. Recently, derandomised classical shadows have emerged claiming to be even more accurate. This accuracy comes at a cost of introducing classical computing resources into the energy estimation procedure. This present note shows, by adding a fraction of this classical computing resource to the locally-biased classical shadows setting, that the modified algorithm, termed Adaptive Pauli Shadows is state-of-the-art for energy estimation.