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arXiv:2601.12619 · Machine Learning Science and Technology

Interpolation of unitaries with time-dependent Hamiltonians via Deep Learning

Antonio Guerra, Daniel Uzcategui-Contreras, Aldo Delgado, Esteban S. Gómez

quant-phSubmitted Jan 18, 2026• Announced Jan 20, 2026• 0 citations• Revised Sep 15, 2026 (v2)
v1 · Jan 18, 2026v2 · Sep 15, 2026
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Abstract

Quantum systems governed by time-dependent Hamiltonians pose significant challenges for the accurate computation of unitary time-evolution operators, which are essential for predicting quantum state dynamics. In this work, we introduce a physics-informed deep learning approach based on Physics-Informed Neural Networks to estimate these operators over the full time domain. By incorporating physical constraints such as unitarity and leveraging the second-order Magnus expansion on the evolution operator, the proposed framework enables the estimation of unitary matrices at different time intervals. The model is trained using simulated unitary operators and evaluated on quantum systems ranging from 2 to 6 qubits. For larger many-body systems, specifically those with 7 and 8 qubits, the same methodology is employed to reconstruct an effective time-dependent Hamiltonian, from which the corresponding time-evolution operator is computed over the entire temporal domain. The proposed framework achieves fidelities exceeding 0.92 using a limited number of unitary samples, indicating a potential reduction in measurement and data acquisition costs. These results highlight the effectiveness of the approach for data-driven simulation and identification of quantum dynamical systems, with direct relevance to quantum computing and quantum simulation applications.

DOI
10.1088/2632-2153/aeb505

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Quantum systems governed by time-dependent Hamiltonians pose significant challenges for the accurate computation of unitary time-evolution operators, which are essential for predicting quantum state dynamics. In this work, we introduce a physics-informed deep learning approach based on Physics-Informed Neural Networks to estimate these operators over the full time domain. By incorporating physical constraints such as unitarity and leveraging the second-order Magnus expansion on the evolution operator, the proposed framework enables the estimation of unitary matrices at different time intervals. The model is trained using simulated unitary operators and evaluated on quantum systems ranging from 2 to 6 qubits. For larger many-body systems, specifically those with 7 and 8 qubits, the same methodology is employed to reconstruct an effective time-dependent Hamiltonian, from which the corresponding time-evolution operator is computed over the entire temporal domain. The proposed framework achieves fidelities exceeding 0.92 using a limited number of unitary samples, indicating a potential reduction in measurement and data acquisition costs. These results highlight the effectiveness of the approach for data-driven simulation and identification of quantum dynamical systems, with direct relevance to quantum computing and quantum simulation applications.
Abstract A novel methodology that leverages physics-informed neural networks to optimize quantum circuits in systems with N Q qubits by addressing the counterdiabatic (CD) protocol is introduced. The primary purpose is to employ physics-inspired deep learning techniques for accurately modeling the time evolution of various physical observables within quantum systems. To achieve this, we integrate essential physical information into an underlying neural network to effectively tackle the problem. Specifically, the imposition of the solution to meet the principle of least action, along with the hermiticity condition on all physical observables, among others, ensuring the acquisition of appropriate CD terms based on underlying physics. This approach provides a reliable alternative to previous methodologies relying on classical numerical approximations, eliminating their inherent constraints. The proposed method offers a versatile framework for optimizing physical observables relevant to the problem, such as the scheduling function, gauge potential, temporal evolution of energy levels, among others. This methodology has been successfully applied to 2-qubit representing H 2 molecule using the STO-3G basis, demonstrating the derivation of a desirable decomposition for non-adiabatic terms through a linear combination of Pauli operators. This attribute confers significant advantages for practical implementation within quantum computing algorithms.
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Interacting quantum Hamiltonians are fundamental to quantum computing. Data-based tomography of time-independent quantum Hamiltonians has been achieved, but an open challenge is to ascertain the structures of time-dependent quantum Hamiltonians using time series measurements taken locally from a small subset of the spins. Physically, the dynamical evolution of a spin system under time-dependent driving or perturbation is described by the Heisenberg equation of motion. Motivated by this basic fact, we articulate a physics-enhanced machine-learning framework whose core is Heisenberg neural networks. In particular, we develop a deep learning algorithm according to some physics-motivated loss function based on the Heisenberg equation, which ``forces'' the neural network to follow the quantum evolution of the spin variables. We demonstrate that, from local measurements, not only can the local Hamiltonian be recovered, but the Hamiltonian reflecting the interacting structure of the whole system can also be faithfully reconstructed. We test our Heisenberg neural machine on spin systems of a variety of structures. In the extreme case in which measurements are taken from only one spin, the achieved tomography fidelity values can reach about 9090%90. The developed machine-learning framework is applicable to any time-dependent systems whose quantum dynamical evolution is governed by the Heisenberg equation of motion.
Abstract The problem of reconstructing an unknown time-dependent Hamiltonian of a two-level quantum system from data on the system’s dynamics is considered. A method based on a neural network within the Neural ODE framework is proposed, in which the continuous evolution of the quantum state is modeled by integrating the Schrödinger equation with a parametric Hamiltonian model implemented by the network. As input data, measured time series of the expectation values of Pauli operators for a qubit are used. The network is trained by minimizing the difference between the experimentally observed and modeled trajectories of quantum observables. Using the example of simulating spin dynamics in a time-varying magnetic field, it is shown that the proposed approach enables high-accuracy reconstruction of the time-dependent Hamiltonian parameters without interrupting the quantum evolution. The results demonstrate that the Neural ODE model provides continuous tracking of the time parameter and reliable reconstruction of the system’s dynamics under conditions of limited data and noise.
Real-time dynamics of quantum observables provide direct access to excitation spectra and correlation functions in quantum many-body systems, but currently available quantum devices are limited to short evolution times due to decoherence. We propose a neural ordinary differential equation (Neural ODE) framework with a physics-driven neural network to reconstruct long-time operator dynamics from short-time quantum data. By expanding observables in the Pauli basis and exploiting locality and symmetry constraints, the operator evolution is reduced to a tractable set of coefficients whose dynamics are learned from the measurement data. Applied to the Ising spin chain with mixed fields, the operator learning method accurately extrapolates its long-time correlation function and resolves its excitation spectrum. We validate the framework by collecting short-time data from IBM's superconducting quantum processor and successfully reconstruct the Fourier spectrum of an N=8N=8N=8 Ising spin chain with 5 times enhanced precision. Our results demonstrate a scalable and data-efficient strategy for extracting dynamical and spectral information from practical quantum hardware.