Challenges
Datasets
Workspaces
Papers
Discussions
Leaderboard
Log inSign up
Challenges
Datasets
Workspaces
Papers
Discussions
Leaderboard
Blog
Job Board
Q3AS

© 2026 Aqora Quantum S.A.S.

TermsPrivacyLegal Notice

arXiv:2405.13582 · Physical Review Letters

Dual-Capability Machine Learning Models for Quantum Hamiltonian Parameter Estimation and Dynamics Prediction

Zheng An, J. Wu, Zidong Lin, Xiaobo Yang, Keren Li, Bei Zeng

Published Mar 27, 2025• 5 citations
arXivHTMLPDF

Abstract

Recent advancements in quantum hardware and classical computing simulations have significantly enhanced the accessibility of quantum system data, leading to an increased demand for precise descriptions and predictions of these systems. Accurate prediction of quantum Hamiltonian dynamics and identification of Hamiltonian parameters are crucial for advancements in quantum simulations, error correction, and control protocols. This Letter introduces a machine learning model with dual capabilities: it can deduce time-dependent Hamiltonian parameters from observed changes in local observables within quantum many-body systems, and it can predict the evolution of these observables based on Hamiltonian parameters. Our model's validity was confirmed through theoretical simulations across various scenarios and further validated by two experiments. Initially, the model was applied to a nuclear magnetic resonance quantum computer, where it accurately predicted the dynamics of local observables. The model was then tested on a superconducting quantum computer with initially unknown Hamiltonian parameters, successfully inferring them. Our approach aims to enhance various quantum computing tasks, including parameter estimation, noise characterization, feedback processes, and quantum control optimization.

DOI
10.1103/physrevlett.134.120202

Related papers

Advancements in predictive modeling of nuclear magnetic resonance parameters: integrating quantum mechanics, machine learning, and quantum computing

Jonhariono Sihotang, Patrisius Michaud Felix Marsoit

This research explores the integration of quantum mechanics, machine learning, and quantum computing to advance predictive modeling of nuclear magnetic resonance (NMR) parameters. The aim is to develop a hybrid quantum-enhanced machine learning model that combines the accuracy of quantum calculations with the efficiency of machine learning techniques for predicting NMR chemical shifts. The conceptual framework involves quantum mechanical calculations for accurate reference NMR parameters, supervised machine learning models trained on diverse molecular datasets, and hybrid quantum-classical algorithms to leverage quantum computing resources. A simplified numerical example demonstrates the potential of the proposed model for predicting NMR chemical shifts for small molecular systems. The results showcase the model's ability to capture underlying relationships between molecular features and NMR observables, indicating promise for larger and more complex systems. This interdisciplinary approach opens new avenues for advancing NMR spectroscopy and understanding molecular structures, dynamics, and interactions in various scientific domains. The research also discusses challenges and opportunities in integrating quantum mechanics, machine learning, and quantum computing, emphasizing the importance of diverse datasets and quantum algorithm selection. The proposed model holds significant implications for transforming NMR parameter predictions and contributing to chemistry, biochemistry, and materials science research

Vertex•Dec 30, 2022•0 citations

Quantum Circuit-Based Learning Models: Bridging Quantum Computing and Machine Learning

Fan Fan, Yilei Shi, Mihai Datcu +5 more

Machine Learning (ML) has been widely applied across numerous domains due to its ability to automatically identify informative patterns from data for various tasks. The availability of large-scale data and advanced computational power enables the development of sophisticated models and training strategies, leading to state-of-the-art performance, but it also introduces substantial challenges. Quantum Computing (QC), which exploits quantum mechanisms for computation, has attracted growing attention and significant global investment as it may address these challenges. Consequently, Quantum Machine Learning (QML), the integration of these two fields, has received increasing interest, with a notable rise in related studies in recent years. We are motivated to review these existing contributions regarding quantum circuit-based learning models for classical data analysis and highlight the identified potentials and challenges of this technique. Specifically, we focus not only on QML models, both kernel-based and neural network-based, but also on recent explorations of their integration with classical machine learning layers within hybrid frameworks. Moreover, we examine both theoretical analysis and empirical findings to better understand their capabilities, and we also discuss the efforts on noise-resilient and hardware-efficient QML that could enhance its practicality under current hardware limitations. In addition, we cover several emerging paradigms for advanced quantum circuit design and highlight the adaptability of QML across representative application domains. This study aims to provide an overview of the contributions made to bridge quantum computing and machine learning, offering insights and guidance to support its future development and pave the way for broader adoption in the coming years.

quant-pharXiv:2602.00048•Artificial Intelligence Review•Jan 20, 2026•0 citations

Enhancement of Machine Learning for Adaptive Quantum Computing Control: The Optimization Performance and Prevention of Real Time Error

V. Saravanan, Ganesan M, R. Balasubramaniyan +3 more

Adaptive quantum computing control is important for the stability and efficiency of quantum systems, especially in the presence of dynamic environmental noise and hardware fluctuations. We present a unified strategy for machine learning (ML) techniques to improve adaptive quantum control in two main directions: optimization speed and out-of-sample error. Here, we propose a hybrid learning method combining reinforcement learning (RL), deep neural networks (DNNs), and quantum-inspired models to actively and adaptively update quantum gate parameters and error mitigation strategies on the fly. Embedding of quantum noise models directly into the learning allows the system to predict and correct for decoherence, gate errors and measurement inaccuracy before they affect computational fidelity. Using extensive simulations as well as experimental validation on noisy intermediate-scale quantum (NISQ) processors, our improved ML model achieves a substantially higher fidelity and robustness compared to standard model-free and static control approaches. We introduce a novel feedback-loop mechanism based on online learning algorithms enabling the system to adjust for changing noise profiles and hardware drift without retraining. The optimization part uses metaheuristic methods to quickly converge to control parameters that perform well, and the error prevention mechanism features anomaly detection and prediction correction layers to minimize the effects of cumulative decoherence. The results demonstrate that our adaptive control framework can be used to not only speed up the convergence in training quantum algorithms, but also sustain the performance of gates against error at a variety of error rates with the reduction of the real-time impact of the error up to 35 %. This work highlights the promise of machine learningaugmented quantum control for improving reliability and scalability in quantum computing and serves as a stepping stone for future incorporation with fault-tolerant designs.

International Conference on Electronics and Computing, Communication Networking Automation Technologies (ICEC2NT)•Sep 3, 2025•2 citations

Robust online Hamiltonian learning

Christopher Granade, Christopher Ferrie, Nathan Wiebe +1 more

In this work we combine two distinct machine learning methodologies, sequential Monte Carlo and Bayesian experimental design, and apply them to the problem of inferring the dynamical parameters of a quantum system. We design the algorithm with practicality in mind by including parameters that control trade-offs between the requirements on computational and experimental resources. The algorithm can be implemented online (during experimental data collection), avoiding the need for storage and post-processing. Most importantly, our algorithm is capable of learning Hamiltonian parameters even when the parameters change from experiment-to-experiment, and also when additional noise processes are present and unknown. The algorithm also numerically estimates the Cramer–Rao lower bound, certifying its own performance.

arXiv:1207.1655•New Journal of Physics•Oct 3, 2012•197 citations

Machine learning on quantum experimental data toward solving quantum many-body problems

Gyungmin Cho, Dohun Kim

Abstract Advancements in the implementation of quantum hardware have enabled the acquisition of data that are intractable for emulation with classical computers. The integration of classical machine learning (ML) algorithms with these data holds potential for unveiling obscure patterns. Although this hybrid approach extends the class of efficiently solvable problems compared to using only classical computers, this approach has been realized for solving restricted problems because of the prevalence of noise in current quantum computers. Here, we extend the applicability of the hybrid approach to problems of interest in many-body physics, such as predicting the properties of the ground state of a given Hamiltonian and classifying quantum phases. By performing experiments with various error-reducing procedures on superconducting quantum hardware with 127 qubits, we managed to acquire refined data from the quantum computer. This enabled us to demonstrate the successful implementation of classical ML algorithms for systems with up to 44 qubits. Our results verify the scalability and effectiveness of the classical ML algorithms for processing quantum experimental data.

arXiv:2310.19416•Nature Communications•Aug 30, 2024•21 citations

Bounded-Error Quantum Simulation via Hamiltonian and Lindbladian Learning

Tristan Kraft, Manoj K. Joshi, William Lam +11 more

Analog Quantum Simulators offer a route to exploring strongly correlated many-body dynamics beyond classical computation, but their predictive power remains limited by the absence of quantitative error estimation. Establishing rigorous uncertainty bounds is essential for elevating such devices from qualitative demonstrations to quantitative scientific tools. Here we introduce a general framework for bounded-error quantum simulation, which provides predictions for many-body observables with experimentally quantifiable uncertainties. The approach combines Hamiltonian and Lindbladian Learning--a statistically rigorous inference of the coherent and dissipative generators governing the dynamics--with the propagation of their uncertainties into the simulated observables, yielding confidence bounds directly derived from experimental data. We demonstrate this framework on trapped-ion quantum simulators implementing long-range Ising interactions with up to 51 ions, and validate it where classical comparison is possible. We analyze error bounds on two levels. First, we learn an open-system model from experimental data collected in an initial time window of quench dynamics, simulate the corresponding master equation, and quantitatively verify consistency between theoretical predictions and measured dynamics at long times. Second, we establish error bounds directly from experimental measurements alone, without relying on classical simulation--crucial for entering regimes of quantum advantage. The learned models reproduce the experimental evolution within the predicted bounds, demonstrating quantitative reliability and internal consistency. Bounded-error quantum simulation provides a scalable foundation for trusted analog quantum computation, bridging the gap between experimental platforms and predictive many-body physics. The techniques presented here directly extend to digital quantum simulation.

quant-pharXiv:2511.23392•Physical Review X•Dec 1, 2025•0 citations
Recent advancements in quantum hardware and classical computing simulations have significantly enhanced the accessibility of quantum system data, leading to an increased demand for precise descriptions and predictions of these systems. Accurate prediction of quantum Hamiltonian dynamics and identification of Hamiltonian parameters are crucial for advancements in quantum simulations, error correction, and control protocols. This Letter introduces a machine learning model with dual capabilities: it can deduce time-dependent Hamiltonian parameters from observed changes in local observables within quantum many-body systems, and it can predict the evolution of these observables based on Hamiltonian parameters. Our model's validity was confirmed through theoretical simulations across various scenarios and further validated by two experiments. Initially, the model was applied to a nuclear magnetic resonance quantum computer, where it accurately predicted the dynamics of local observables. The model was then tested on a superconducting quantum computer with initially unknown Hamiltonian parameters, successfully inferring them. Our approach aims to enhance various quantum computing tasks, including parameter estimation, noise characterization, feedback processes, and quantum control optimization.
This research explores the integration of quantum mechanics, machine learning, and quantum computing to advance predictive modeling of nuclear magnetic resonance (NMR) parameters. The aim is to develop a hybrid quantum-enhanced machine learning model that combines the accuracy of quantum calculations with the efficiency of machine learning techniques for predicting NMR chemical shifts. The conceptual framework involves quantum mechanical calculations for accurate reference NMR parameters, supervised machine learning models trained on diverse molecular datasets, and hybrid quantum-classical algorithms to leverage quantum computing resources. A simplified numerical example demonstrates the potential of the proposed model for predicting NMR chemical shifts for small molecular systems. The results showcase the model's ability to capture underlying relationships between molecular features and NMR observables, indicating promise for larger and more complex systems. This interdisciplinary approach opens new avenues for advancing NMR spectroscopy and understanding molecular structures, dynamics, and interactions in various scientific domains. The research also discusses challenges and opportunities in integrating quantum mechanics, machine learning, and quantum computing, emphasizing the importance of diverse datasets and quantum algorithm selection. The proposed model holds significant implications for transforming NMR parameter predictions and contributing to chemistry, biochemistry, and materials science research
Machine Learning (ML) has been widely applied across numerous domains due to its ability to automatically identify informative patterns from data for various tasks. The availability of large-scale data and advanced computational power enables the development of sophisticated models and training strategies, leading to state-of-the-art performance, but it also introduces substantial challenges. Quantum Computing (QC), which exploits quantum mechanisms for computation, has attracted growing attention and significant global investment as it may address these challenges. Consequently, Quantum Machine Learning (QML), the integration of these two fields, has received increasing interest, with a notable rise in related studies in recent years. We are motivated to review these existing contributions regarding quantum circuit-based learning models for classical data analysis and highlight the identified potentials and challenges of this technique. Specifically, we focus not only on QML models, both kernel-based and neural network-based, but also on recent explorations of their integration with classical machine learning layers within hybrid frameworks. Moreover, we examine both theoretical analysis and empirical findings to better understand their capabilities, and we also discuss the efforts on noise-resilient and hardware-efficient QML that could enhance its practicality under current hardware limitations. In addition, we cover several emerging paradigms for advanced quantum circuit design and highlight the adaptability of QML across representative application domains. This study aims to provide an overview of the contributions made to bridge quantum computing and machine learning, offering insights and guidance to support its future development and pave the way for broader adoption in the coming years.
Adaptive quantum computing control is important for the stability and efficiency of quantum systems, especially in the presence of dynamic environmental noise and hardware fluctuations. We present a unified strategy for machine learning (ML) techniques to improve adaptive quantum control in two main directions: optimization speed and out-of-sample error. Here, we propose a hybrid learning method combining reinforcement learning (RL), deep neural networks (DNNs), and quantum-inspired models to actively and adaptively update quantum gate parameters and error mitigation strategies on the fly. Embedding of quantum noise models directly into the learning allows the system to predict and correct for decoherence, gate errors and measurement inaccuracy before they affect computational fidelity. Using extensive simulations as well as experimental validation on noisy intermediate-scale quantum (NISQ) processors, our improved ML model achieves a substantially higher fidelity and robustness compared to standard model-free and static control approaches. We introduce a novel feedback-loop mechanism based on online learning algorithms enabling the system to adjust for changing noise profiles and hardware drift without retraining. The optimization part uses metaheuristic methods to quickly converge to control parameters that perform well, and the error prevention mechanism features anomaly detection and prediction correction layers to minimize the effects of cumulative decoherence. The results demonstrate that our adaptive control framework can be used to not only speed up the convergence in training quantum algorithms, but also sustain the performance of gates against error at a variety of error rates with the reduction of the real-time impact of the error up to 35 %. This work highlights the promise of machine learningaugmented quantum control for improving reliability and scalability in quantum computing and serves as a stepping stone for future incorporation with fault-tolerant designs.
In this work we combine two distinct machine learning methodologies, sequential Monte Carlo and Bayesian experimental design, and apply them to the problem of inferring the dynamical parameters of a quantum system. We design the algorithm with practicality in mind by including parameters that control trade-offs between the requirements on computational and experimental resources. The algorithm can be implemented online (during experimental data collection), avoiding the need for storage and post-processing. Most importantly, our algorithm is capable of learning Hamiltonian parameters even when the parameters change from experiment-to-experiment, and also when additional noise processes are present and unknown. The algorithm also numerically estimates the Cramer–Rao lower bound, certifying its own performance.
Abstract Advancements in the implementation of quantum hardware have enabled the acquisition of data that are intractable for emulation with classical computers. The integration of classical machine learning (ML) algorithms with these data holds potential for unveiling obscure patterns. Although this hybrid approach extends the class of efficiently solvable problems compared to using only classical computers, this approach has been realized for solving restricted problems because of the prevalence of noise in current quantum computers. Here, we extend the applicability of the hybrid approach to problems of interest in many-body physics, such as predicting the properties of the ground state of a given Hamiltonian and classifying quantum phases. By performing experiments with various error-reducing procedures on superconducting quantum hardware with 127 qubits, we managed to acquire refined data from the quantum computer. This enabled us to demonstrate the successful implementation of classical ML algorithms for systems with up to 44 qubits. Our results verify the scalability and effectiveness of the classical ML algorithms for processing quantum experimental data.
Analog Quantum Simulators offer a route to exploring strongly correlated many-body dynamics beyond classical computation, but their predictive power remains limited by the absence of quantitative error estimation. Establishing rigorous uncertainty bounds is essential for elevating such devices from qualitative demonstrations to quantitative scientific tools. Here we introduce a general framework for bounded-error quantum simulation, which provides predictions for many-body observables with experimentally quantifiable uncertainties. The approach combines Hamiltonian and Lindbladian Learning--a statistically rigorous inference of the coherent and dissipative generators governing the dynamics--with the propagation of their uncertainties into the simulated observables, yielding confidence bounds directly derived from experimental data. We demonstrate this framework on trapped-ion quantum simulators implementing long-range Ising interactions with up to 51 ions, and validate it where classical comparison is possible. We analyze error bounds on two levels. First, we learn an open-system model from experimental data collected in an initial time window of quench dynamics, simulate the corresponding master equation, and quantitatively verify consistency between theoretical predictions and measured dynamics at long times. Second, we establish error bounds directly from experimental measurements alone, without relying on classical simulation--crucial for entering regimes of quantum advantage. The learned models reproduce the experimental evolution within the predicted bounds, demonstrating quantitative reliability and internal consistency. Bounded-error quantum simulation provides a scalable foundation for trusted analog quantum computation, bridging the gap between experimental platforms and predictive many-body physics. The techniques presented here directly extend to digital quantum simulation.