We combine classical heuristics with partial shadow tomography to enable efficient protocols for extracting information from correlated ab initio electronic systems encoded on quantum devices. By proposing the use of a correlation energy functional and sampling of a polynomial set of excitation amplitudes of the quantum state, we can demonstrate an almost two order of magnitude reduction in required number of shots for a given statistical error in the energy estimate, as well as observing a linear scaling to accessible system sizes. Furthermore, we find a high-degree of noise resilience of these estimators on real quantum devices, with up to an order of magnitude increase in the tolerated noise compared to traditional techniques. While these approaches are expected to break down asymptotically, we find strong evidence that these large system arguments do not prevent algorithmic advantage from these simple protocols in many systems of interest. We further extend this to consider the extraction of beyond-energetic properties by mapping to a coupled cluster surrogate model, as well as a natural combination within a quantum embedding framework. This embedding framework avoids the unstable self-consistent requirements of previous approaches, enabling application of quantum solvers to realistic correlated materials science, where we demonstrate the volume-dependence of the spin gap of Nickel Oxide.
We combine classical heuristics with partial shadow tomography to enable efficient protocols for extracting information from correlated ab initio electronic systems encoded on quantum devices. By proposing the use of a correlation energy functional and sampling of a polynomial set of excitation amplitudes of the quantum state, we can demonstrate an almost two order of magnitude reduction in required number of shots for a given statistical error in the energy estimate, as well as observing a linear scaling to accessible system sizes. Furthermore, we find a high-degree of noise resilience of these estimators on real quantum devices, with up to an order of magnitude increase in the tolerated noise compared to traditional techniques. While these approaches are expected to break down asymptotically, we find strong evidence that these large system arguments do not prevent algorithmic advantage from these simple protocols in many systems of interest. We further extend this to consider the extraction of beyond-energetic properties by mapping to a coupled cluster surrogate model, as well as a natural combination within a quantum embedding framework. This embedding framework avoids the unstable self-consistent requirements of previous approaches, enabling application of quantum solvers to realistic correlated materials science, where we demonstrate the volume-dependence of the spin gap of Nickel Oxide.
We present a shadow-tomography-enhanced nonorthogonal quantum eigensolver (NOQE) for more efficient and accurate electronic structure calculations on near-term quantum devices. By integrating shadow tomography into the NOQE, the measurement cost scales linearly rather than quadratically with the number of reference states, while also reducing the required qubits and circuit depth by half. This approach enables extraction of all matrix elements via randomized measurements and classical postprocessing. We analyze its sample complexity and show that, for small systems, it remains constant in the high-precision regime, while for larger systems, it scales linearly with the system size. We further apply shadow-based error mitigation to suppress noise-induced bias without increasing quantum resources. Demonstrations on the hydrogen molecule in the strongly correlated regime achieve chemical accuracy under realistic noise, showing that our method is both resource-efficient and noise-resilient for practical quantum chemistry simulations in the near term.
Efficiently estimating properties of large and strongly coupled quantum systems is a central focus in many-body physics and quantum information theory.While quantum computers promise speedups for many of these tasks, near-term devices are prone to noise that will generally reduce the accuracy of such estimates.Here, we propose a sample-efficient and noise-resilient protocol for learning properties of quantum states building on the shadow estimation scheme [Huang et al., Nature Physics 16, 1050-1057(2020)].By introducing an experimentally friendly calibration procedure, our protocol can efficiently characterize and mitigate noises in the shadow estimation scheme, given only minimal assumptions on the experimental conditions.When the strength of noises can be bounded, our protocol approximately retains the same order of sample efficiency as the standard shadow estimation scheme, while also possessing a provable noise resilience.We give rigorous bounds on the sample complexity of our protocol and demonstrate its performance with several numerical experiments, including estimations of quantum fidelity, correlation functions and energy expectations, etc., which highlight a wide spectrum of potential applications of our protocol on near-term devices.
Efficiently estimating properties of large and strongly coupled quantum systems is a central focus in many-body physics and quantum information theory. While quantum computers promise speedups for many of these tasks, near-term devices are prone to noise that will generally reduce the accuracy of such estimates. Here, we propose a sample-efficient and noise-resilient protocol for learning properties of quantum states building on the shadow estimation scheme [Huang et al., Nature Physics 16, 1050-1057 (2020)]. By introducing an experimentally friendly calibration procedure, our protocol can efficiently characterize and mitigate noises in the shadow estimation scheme, given only minimal assumptions on the experimental conditions. When the strength of noises can be bounded, our protocol approximately retains the same order of sample efficiency as the standard shadow estimation scheme, while also possessing a provable noise resilience. We give rigorous bounds on the sample complexity of our protocol and demonstrate its performance with several numerical experiments, including estimations of quantum fidelity, correlation functions and energy expectations, etc., which highlight a wide spectrum of potential applications of our protocol on near-term devices.
As quantum devices grow in size while remaining affected by noise, a key challenge is to determine when and how they can surpass classical computation on practical tasks. This requires the development of highly efficient classical simulation algorithms. Pauli backpropagation algorithms are among the most promising, having shown efficiency in simulating certain classes of parameterized quantum circuits, strong candidates for near‑term quantum advantage, under random circuit assumptions and depolarizing noise. However, their efficiency had not been demonstrated for more realistic nonunital noise models, such as amplitude damping, which better capture the behaviour of current hardware. We close this gap by adapting Pauli backpropagation to most single‑qubit noise channels, including nonunital noise, and proving that it remains efficient under these conditions. Our algorithm is parallelizable, memory‑efficient, and requires no assumptions on the locality of the observable, the geometry of the hardware, or the depth of the circuit. While hardware noise can strongly affect computational power in highly structured, fault‑tolerant circuits, our findings indicate little difference for most near‑term variational architectures. This establishes Pauli backpropagation as an efficient method for simulating noisy quantum devices under realistic noise assumptions.While these advances improve our ability to reproduce noisy expectation values of observables, many practical applications, including combinatorial optimization, require direct access to the bitstrings output by quantum circuits, as these encode candidate solutions. Classical replication of such noisy samples has so far been limited beyond the random circuit setting. To bridge this gap, we first focus on problems whose objective functions depend only on two‑body correlations, such as Max‑Cut, and apply Gaussian randomized rounding to the circuit's two‑qubit marginals. This produces classical samples whose expected cost is provably close to that of the noisy quantum device. Large‑scale simulations and experiments on IBMQ hardware confirm that the rounded samples reproduce the full energy distribution, with similar behaviour under various noise models. Coupled with Pauli backpropagation for efficiently estimating noisy marginals, this yields an end‑to‑end classical sampler operating in polynomial time for a broad class of variational circuits. Our results therefore show that sufficiently noisy quantum circuits for combinatorial optimization can be sampled from classically, clarifying where near‑term hardware may or may not outperform classical algorithms.Finally , we go beyond one and two‑body marginals and present an algorithm that samples valid bitstrings directly from a maximum‑entropy distribution matching the given expectation values of the quantum circuit. This method does not rely on the locality or sparsity of the problem's Hamiltonian and performs well across a variety of quantum circuits, including deep circuits on many qubits. When combined with Pauli propagation or error mitigation, it provides a practical pipeline for obtaining samples from quantum circuits in the near term, where full error correction might not yet be available.
Shadow tomography has appeared as a powerful tool for estimating observables on quantum computers from a small number of samples. We show that shadow-tomography-inspired ideas can offer similarly improved sample scaling for estimating observables on tensor network states on classical computers after proper adaptation. We develop strategies for both spin (bosonic) and fermionic systems, tailored to the contraction requirements of tensor networks, and generate scaling improvements of factors of O(N) to O(N3) (where N is system size), depending on the specific task and system type. For the important and difficult task of evaluating the expectation value of long-range interacting Hamiltonians, we achieve the optimal O(1) overall scaling (up to logarithmic factors) for an arbitrarily fixed relative Monte Carlo error in both spin and fermionic systems. Additionally, we show that shadow estimators offer more stable gradients of observables in variational optimization tasks than standard Monte Carlo estimators. We demonstrate practical advantage by simulating systems with long-range interactions, including the 2D long-range Heisenberg model and an ab-initio quantum chemistry Hamiltonian.
We investigate fully self-consistent multiscale quantum-classical algorithms on current generation superconducting quantum computers, in a unified approach to tackle the correlated electronic structure of large systems in both quantum chemistry and condensed matter physics. In both of these contexts, a strongly correlated quantum region of the extended system is isolated and self-consistently coupled to its environment via the sampling of reduced density matrices. We analyze the viability of current generation quantum devices to provide the required fidelity of these objects for a robust and efficient optimization of this subspace. We show that with a simple error mitigation strategy these self-consistent algorithms are indeed highly robust, even in the presence of significant noises on quantum hardware. Furthermore, we demonstrate the use of these density matrices for the sampling of nonenergetic properties, including dipole moments and Fermi liquid parameters in condensed phase systems, achieving a reliable accuracy with sparse sampling. It appears that uncertainties derived from the iterative optimization of these subspaces is smaller than variances in the energy for a single subspace optimization with current quantum hardware. This boosts the prospect for routine self-consistency to improve the choice of correlated subspaces in hybrid quantum-classical approaches to electronic structure for large systems in this multiscale fashion.