Quantum fidelity estimation is a fundamental task in quantum information and computing to benchmark the quality of quantum states, and hence of quantum processes, on noisy quantum hardware. Point estimates of fidelity by existing methods generally lack the rigorous uncertainty quantification required for reliable preparation and verification of these tasks. While Bayesian and bootstrap frameworks are widely used for uncertainty quantification, they are sensitive to model misspecification or lack formal coverage guarantees in non-asymptotic regimes. This paper introduces a hybrid "Bayesian-informed" conformal prediction-based framework to provide distribution-free, rigorous prediction intervals for quantum state fidelity estimation which can be used, with care, to approximate confidence intervals with respect to the quantum randomness of Born's rule. The framework requires a point estimator, and we consider both classical point estimators as well as data-driven neural net estimators. We evaluate the robustness of the methodology across a diverse range of experimental challenges, including finite-sample noise, tomographic incompleteness, physical model error, and out-of-distribution data. Our results demonstrate that conformalized estimators maintain statistical validity where traditional methods fail, offering a scalable and reliable approach for the verification of modern quantum systems. The best performing variant of our methodology is based on a class-conditional conformal prediction, as this most closely approximates the conditional coverage desired for a true confidence interval.
Quantum fidelity estimation is a fundamental task in quantum information and computing to benchmark the quality of quantum states, and hence of quantum processes, on noisy quantum hardware. Point estimates of fidelity by existing methods generally lack the rigorous uncertainty quantification required for reliable preparation and verification of these tasks. While Bayesian and bootstrap frameworks are widely used for uncertainty quantification, they are sensitive to model misspecification or lack formal coverage guarantees in non-asymptotic regimes. This paper introduces a hybrid "Bayesian-informed" conformal prediction-based framework to provide distribution-free, rigorous prediction intervals for quantum state fidelity estimation which can be used, with care, to approximate confidence intervals with respect to the quantum randomness of Born's rule. The framework requires a point estimator, and we consider both classical point estimators as well as data-driven neural net estimators. We evaluate the robustness of the methodology across a diverse range of experimental challenges, including finite-sample noise, tomographic incompleteness, physical model error, and out-of-distribution data. Our results demonstrate that conformalized estimators maintain statistical validity where traditional methods fail, offering a scalable and reliable approach for the verification of modern quantum systems. The best performing variant of our methodology is based on a class-conditional conformal prediction, as this most closely approximates the conditional coverage desired for a true confidence interval.
Quantum machine learning is a promising programming paradigm for the optimization of quantum algorithms in the current era of noisy intermediate scale quantum (NISQ) computers. A fundamental challenge in quantum machine learning is generalization, as the designer targets performance under testing conditions, while having access only to limited training data. Existing generalization analyses, while identifying important general trends and scaling laws, cannot be used to assign reliable and informative “error bars” to the decisions made by quantum models. In this article, we propose a general methodology that can reliably quantify the uncertainty of quantum models, irrespective of the amount of training data, of the number of shots, of the ansatz, of the training algorithm, and of the presence of quantum hardware noise. The approach, which builds on probabilistic conformal prediction, turns an arbitrary, possibly small, number of shots from a pre-trained quantum model into a set prediction, e.g., an interval, thatprovablycontains the true target with any desired coverage level. Experimental results confirm the theoretical calibration guarantees of the proposed framework, referred to asquantum conformal prediction.
In the Quantum Supremacy regime, quantum computers may overcome classical machines on several tasks if we can estimate, mitigate, or correct unavoidable hardware noise. Estimating the error requires classical simulations, which become unfeasible in the Quantum Supremacy regime. We leverage Machine Learning data-driven approaches and Conformal Prediction, a Machine Learning uncertainty quantification tool known for its mild assumptions and finite-sample validity, to find theoretically valid upper bounds of the fidelity between noiseless and noisy outputs of quantum devices. Under reasonable extrapolation assumptions, the proposed scheme applies to any Quantum Computing hardware, does not require modeling the device's noise sources, and can be used when classical simulations are unavailable, e.g. in the Quantum Supremacy regime.
Uncertainty quantification (UQ) is essential for deploying machine learning models in safety-critical physical systems, yet classical Bayesian approaches incur substantial computational overhead. We establish a formal connection between Born-rule measurement statistics from variational quantum circuits (VQCs) and Bayesian posterior uncertainty, proving that repeated quantum measurements naturally produce calibrated prediction intervals without requiring explicit Bayesian neural network (BNN) machinery. We demonstrate this framework on physics-constrained VQCs trained on PDE residuals. Systematic experiments comparing quantum shot-based UQ against MC Dropout and Deep Ensemble baselines show that quantum UQ achieves coverage probabilities within 1-3% of target confidence levels at N >= 5000 shots, while MC Dropout systematically over-covers by 4-5%. Physics-constrained circuits reduce the expected calibration error (ECE) by 34-40% compared to unconstrained counterparts, with interval widths 14-30% narrower at equivalent coverage. Information-theoretic analysis reveals that quantum circuits extract ~15% more bits of UQ information per evaluation than MC Dropout and ~42% more than Deep Ensembles (M = 10), owing to the exponential Hilbert space accessible through Born-rule sampling. These results establish quantum measurement statistics as a principled, computationally efficient framework for uncertainty quantification in physics-informed learning.
Quantum computing introduces unique forms of randomness arising from measurement processes, gate noise, and hardware imperfections. Ensuring reliable uncertainty quantification in such quantum-driven or quantum-derived predictions is an emerging challenge. In classical machine learning, conformal prediction has proven to be a robust framework for distribution-free uncertainty calibration, often focusing on univariate or low-dimensional outputs. Recent advances (e.g., [1–3]) have extended conformal methods to handle multi-output or multi-dimensional responses, addressing sophisticated tasks such as time-series, image classification sets, and quantum-generated probability distributions. However, bridging the gap between these powerful conformal frameworks and the high-dimensional, noise-prone distributions typical of quantum measurement scenarios remains largely open. In this paper, we propose a unified approach to harness quantum conformal methods for multi-output distributions, with a particular emphasis on two experimental paradigms: (i) a standard 2-qubit circuit scenario producing a four-dimensional outcome distribution, and (ii) a multi-basis measurement setting that concatenates measurement probabilities in different bases (Z, X, Y) into a twelve-dimensional output space. By combining a multi-output regression model (e.g., random forests) with distributional conformal prediction, we validate coverage and interval-set sizes on both simulated quantum data and multi-basis measurement data. Our results confirm that classical conformal prediction can effectively provide coverage guarantees even when the target probabilities derive from inherently quantum processes. Such synergy opens the door to next-generation quantum-classical hybrid frameworks, providing both improved interpretability and rigorous coverage for quantum machine learning tasks. All codes and full reproducible Colab notebooks are made available at https://github.com/detasar/QECMMOU.
The predictive success of quantum mechanics underpins many areas of modern science, even as the exact simulation of large, interacting quantum systems remains beyond the reach of classical computation. This success has been enabled by the remarkable advancement of scalable numerical approximation methods, which often demonstrate practical accuracy despite the absence of formal guarantees. As quantum simulation pushes into regimes where these approximations struggle, a fundamental challenge arises: How can quantum outcomes be trusted when reliable classical benchmarks are unavailable? Here, we establish a framework for the independent validation of quantum estimates in this setting and present evidence that they provide the most credible result among several considered methods, in the absence of an immediately accessible ground-truth solution. We apply our framework to the semi-scrambling dynamics of a physical model that strains several leading classical simulation methods yet remains experimentally accessible, in part through our introduction of the \textit{operator Loschmidt echo}. We systematically design a series of experiments using quantum heuristics that, taken together, test the underlying assumptions and provide strong confidence in the observable estimates obtained from the quantum computer. We then show how this framework can be extended to place accuracy bounds on quantum estimates via careful characterization and manipulation of the device noise, transforming the problem of validating the observable estimation to validating the noise model. These results establish a route towards trusted quantum computation for scientific discovery, independent of classical verification.
Quantum machine learning seeks to leverage quantum computers to improve upon classical machine learning algorithms. Currently, robust uncertainty quantification methods remain underdeveloped in the quantum domain, despite the critical need for reliable and trustworthy predictions. Recent work has introduced quantum conformal prediction, a framework that produces prediction sets that are guaranteed to contain the true outcome with a user-specified probability. In this work, we formalise how the time-varying noise inherent in quantum processors can undermine conformal guarantees, even when calibration and test data are exchangeable. To address this challenge, we draw on Adaptive Conformal Inference, a method which maintains validity over time via repeated recalibration. We introduce Adaptive Quantum Conformal Prediction (AQCP), an algorithm which provides asymptotic average coverage guarantees under arbitrary hardware noise conditions. Empirical studies on an IBM quantum processor demonstrate that AQCP achieves the target coverage level and exhibits greater stability than quantum conformal prediction.