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arXiv:2304.03398 · IEEE Transactions on Quantum Engineering

Quantum Conformal Prediction for Reliable Uncertainty Quantification in Quantum Machine Learning

Sangwoo Park, Osvaldo Simeone

Published Nov 17, 2023• 18 citations
arXivHTMLPDF

Abstract

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.

DOI
10.1109/tqe.2023.3333224

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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.
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.
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 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.
Quantum machine learning (QML) is a promising paradigm for tackling computational problems that challenge classical AI. Yet, the inherent probabilistic behavior of quantum mechanics, device noise in NISQ hardware, and hybrid quantum-classical execution pipelines introduce new risks that prevent reliable deployment of QML in real-world, safety-critical settings. This research offers a broad roadmap for Trustworthy Quantum Machine Learning (TQML), integrating three foundational pillars of reliability: (i) uncertainty quantification for calibrated and risk-aware decision making, (ii) adversarial robustness against classical and quantum-native threat models, and (iii) privacy preservation in distributed and delegated quantum learning scenarios. We formalize quantum-specific trust metrics grounded in quantum information theory, including a variance-based decomposition of predictive uncertainty, trace-distance-bounded robustness, and differential privacy for hybrid learning channels. To demonstrate feasibility on current NISQ devices, we validate a unified trust assessment pipeline on parameterized quantum classifiers, uncovering correlations between uncertainty and prediction risk, an asymmetry in attack vulnerability between classical and quantum state perturbations, and privacy-utility trade-offs driven by shot noise and quantum channel noise. This roadmap seeks to define trustworthiness as a first-class design objective for quantum AI.
Quantum computing has emerged as a transformative paradigm capable of addressing computational challenges beyond the reach of classical systems.In the current era of Noisy Intermediate-Scale Quantum (NISQ) devices, practical quantum hardware is characterized by limited qubit counts, short coherence times, gate errors, and the absence of full error correction.Despite these constraints, significant progress has been made in developing quantum machine learning (QML) techniques tailored to operate on near-term quantum processors.This paper presents a comprehensive review of Quantum Machine Learning in the context of NISQ computing.We first outline the fundamental principles of quantum computing, including qubits, superposition, entanglement, and quantum parallelism, followed by a detailed discussion of the NISQ computing model and its hardware limitations.The review then examines hybrid quantum-classical learning frameworks, variational quantum algorithms, quantum data encoding strategies, and noise mitigation techniques that enable practical implementation on existing platforms.Emerging applications across healthcare, finance, cybersecurity, climate modeling, and materials science are also surveyed to highlight the real-world potential of QML.Furthermore, key challenges such as scalability, trainability issues, and algorithmic robustness are analyzed, along with current research efforts aimed at overcoming these barriers.The paper concludes by identifying promising future directions for advancing QML toward quantum advantage.This review aims to provide researchers and practitioners with a structured understanding of the capabilities, limitations, and opportunities of quantum machine learning in the NISQ era .
Quantum machine learning (QML) models introduce unique sources of uncertainty arising from finite measurement shots, hardware noise, and variational optimization instability. Despite rapid progress in quantum algorithms, systematic uncertainty quantification (UQ) in QML remains largely underexplored and lacks standardized tooling. We present Quan-tumUQ, an open-source Python library for uncertainty quantification in quantum machine learning with native support for PennyLane and Qiskit. QuantumUQ provides shot-based uncertainty estimation, ensemble-based epistemic uncertainty, measurement-budget stability profiling, and calibration metrics for classification and regression tasks. We formalize the uncertainty decomposition in QML, describe the architectural design of the library, and demonstrate its capabilities through reproducible experiments. Our results show that measurement-induced uncertainty exhibits predictable scaling behavior and that calibration analysis reveals systematic overconfidence in variational quantum classifiers. QuantumUQ aims to make robustness, reliability, and trustworthiness first-class citizens in quantum ML research.