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arXiv:2603.20029

Variance reduction methods in the estimation of Pauli sums

Søren Fuglede Jørgensen, Rafael Emilio Barfknecht, Patrick Ettenhuber, Nikolaj Thomas Zinner

quant-phSubmitted Mar 20, 2026• Announced Mar 23, 2026• 0 citations
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Abstract

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.

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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.
Obtaining the expectation value of an observable on a quantum computer is a crucial step in the variational quantum algorithms. For complicated observables such as molecular electronic Hamiltonians, one of the strategies is to present the observable as a linear combination of measurable fragments. The main problem of this approach is a large number of measurements required for accurate estimation of the observable's expectation value. We consider three previously studied directions that minimize the number of measurements: (1) grouping commuting operators using the greedy approach, (2) involving non-local unitary transformations for measuring, and (3) taking advantage of compatibility of some Pauli products with several measurable groups. The last direction gives rise to a general framework that not only provides improvements over previous methods but also connects measurement grouping approaches with recent advances in techniques of shadow tomography. Following this direction, we develop two measurement schemes that achieve a severalfold reduction in the number of measurements for a set of model molecules compared to previous state-of-the-art 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.
We provide practical and powerful schemes for learning many properties of an unknown n-qubit quantum state using a sparing number of copies of the state. Specifically, we present a depth-modulated randomized measurement scheme that interpolates between two known classical shadows schemes based on random Pauli measurements and random Clifford measurements. These can be seen within our scheme as the special cases of zero and infinite depth, respectively. We focus on the regime where depth scales logarithmically in n and provide evidence that this retains the desirable properties of both extremal schemes whilst, in contrast to the random Clifford scheme, also being experimentally feasible. We present methods for two key tasks; estimating expectation values of certain observables from generated classical shadows and, computing upper bounds on the depth-modulated shadow norm, thus providing rigorous guarantees on the accuracy of the output estimates. We consider observables that can be written as a linear combination of poly(n) Paulis and observables that can be written as a low bond dimension matrix product operator. For the former class of observables both tasks are solved efficiently in n. For the latter class, we do not guarantee efficiency but present a method that works in practice; by variationally computing a heralded approximate inverses of a tensor network that can then be used for efficiently executing both these tasks.
The measurement cost for estimating expectation values of Hamiltonians is a central bottleneck in variational quantum algorithms. Grouping strategies significantly reduce this cost, with overlapping techniques being the state of the art in the field. Overlapping grouping methods require i) a non-overlapping grouping of the Hamiltonian, typically obtained from the Sorted Insertion (SI) algorithm as initialization, and ii) the construction of covariance dictionaries from approximate wavefunctions to guide the optimization. It was recently shown that different initializations can potentially reduce measurement costs for overlapping methods. Motivated by these findings, we introduce variance-aware SI (VarSI), a family of covariance-informed non-overlapping Pauli grouping heuristics to reduce measurement counts. VarSI grouping leverages the covariance dictionaries, already required by overlapping methods, to construct better non-overlapping groups. We propose three variants: a global greedy grouping insertion rule, a variance-informed SI analog, and a local refinement step initialized from SI or our variance-informed variant. We showcase the use of groupings generated by our VarSI heuristic algorithms to initialize overlapping methods using the iterative coefficient-splitting (ICS) algorithm. Molecular benchmarks with 130 Hamiltonians demonstrate consistent, non-overlapping measurement improvements over SI of 38\% and enhanced downstream ICS results when initialized from VarSI groups. We find that the initializations considered here achieve up to 70\% measurement reductions for ICS, compared to the standard SI initialization with mean reductions of 9--15.3\% depending on qubit mappings and covariance dictionaries used. These results show that non-overlapping grouping remains a consequential design step even when the final estimator uses overlapping fragments.
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.
We provide practical and powerful schemes for learning properties of a quantum state using a small number of measurements. Specifically, we present a randomized measurement scheme modulated by the depth of a random quantum circuit in one spatial dimension. This scheme interpolates between two known classical shadows schemes based on random Pauli measurements and random Clifford measurements. We focus on the regime where depth scales logarithmically in the system size and provide evidence that this retains the desirable sample complexity properties of both extremal schemes while also being experimentally feasible. We present methods for two key tasks; estimating expectation values of certain observables from generated classical shadows and, computing upper bounds on the depth-modulated shadow norm, thus providing rigorous guarantees on the accuracy of the output estimates. We achieve our findings by bringing together tools from shadow estimation, random circuits, and tensor networks.