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.
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.
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.
Maximizing the computational utility of near-term quantum processors requires predictive noise models that inform robust, noise-aware compilation and error mitigation. Conventional models often fail to capture the complex error dynamics of real hardware or require prohibitive characterization overhead. We introduce a data-efficient framework that first constructs a physically motivated, parameterized noise model, and subsequently employs machine-learning-driven Bayesian optimization to identify its parameters. Our approach circumvents costly characterization protocols by estimating algorithm- and hardware-specific error parameters directly from readily available experimental data derived from existing application and benchmark circuit executions. The generality and robustness of the framework are demonstrated across diverse algorithms and superconducting devices, yielding high-fidelity predictions by estimating an independent parameter set tailored to each specific algorithm-hardware context. Crucially, we show that a model calibrated exclusively on small-scale circuits accurately predicts the behavior of larger validation circuits. Our data-efficient approach achieves up to a 65% improvement in model fidelity quantified by the Hellinger distance between predicted and experimental circuit output distributions, compared to standard noise models derived from device properties. This work establishes a practical paradigm for application-aware noise characterization, enabling compilation and error-mitigation strategies tailored to the specific interplay between quantum algorithms and device-specific noise dynamics.
The pursuit of high-fidelity digital quantum simulation is fundamentally constrained by the inevitable presence of noise in current and near-term quantum processors. While quantum error correction ultimately promises fault-tolerance, its substantial qubit overhead renders it impractical for the noisy intermediate-scale quantum (NISQ) era. This research addresses the critical gap between hardware imperfections and simulation accuracy by designing systematic, resource-efficient machine learning (ML) error-mitigation protocols tailored specifically for digital quantum simulation. Unlike generic error-suppression methods, our approach exploits the unique structural properties of simulated quantum dynamics—including time-translation invariance, locality of interactions, and conserved quantities—to inform the training of lightweight neural networks and Gaussian process regressors. We develop a hybrid framework that combines randomized compiling with data-driven noise-inversion models, enabling real-time estimation and subtraction of both coherent and incoherent errors without exponential sampling overhead. Through extensive numerical benchmarks on spin-chain and Fermi-Hubbard models, we demonstrate that our ML protocols achieve up to an order-of-magnitude reduction in infidelity compared to standard probabilistic error cancellation and zero-noise extrapolation, while requiring fewer calibration circuits. Furthermore, we introduce an adaptive online learning scheme that continuously refines the mitigation model during the simulation runtime, automatically adjusting to time-dependent drift in hardware noise. Our results establish a practical pathway toward scalable, high-accuracy quantum simulations on existing devices, with implications for condensed matter physics, quantum chemistry, and the development of quantum advantage benchmarks.
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 computing has significantly advanced in recent years, boasting devices with hundreds of quantum bits (qubits), hinting at its potential quantum advantage over classical computing. Yet, noise in quantum devices poses significant barriers to realizing this supremacy. Understanding noise’s impact is crucial for reproducibility and application reuse; moreover, the next-generation quantum-centric supercomputing essentially requires efficient and accurate noise characterization to support system management (e.g., job scheduling), where ensuring correct functional performance (i.e., fidelity) of jobs on available quantum devices can even be higher-priority than traditional objectives. However, noise fluctuates over time, even on the same quantum device, which makes predicting the computational bounds for on-the-fly noise is vital. Noisy quantum simulation can offer insights but faces efficiency and scalability issues. In this work, we propose a data-driven workflow, namely QuBound, to predict computational performance bounds. It decomposes historical performance traces to isolate noise sources and devises a novel encoder to embed circuit and noise information processed by a Long Short-Term Memory (LSTM) network. For evaluation, we compare QuBound with a state-of-the-art learning-based predictor, which only generates a single performance value instead of a bound. Experimental results show that the result of the existing approach falls outside of performance bounds, while all predictions from our QuBound with the assistance of performance decomposition better fit the bounds. Moreover, QuBound can efficiently produce practical bounds for various circuits with over 106 speedup over simulation; in addition, the range from QuBound is over 10× narrower than the state-of-the-art analytical approach.
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.