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arXiv:2309.04434 · Machine Learning Science and Technology

Physics-informed neural networks for an optimal counterdiabatic quantum computation

Antonio Ferrer-Sánchez, Carlos Flores-Garrigós, Carlos Hernani‐Morales, José J. Orquín-Marqués, Narendra N. Hegade, Alejandro Gomez Cadavid, Iraitz Montalban, E. Solano, Yolanda Vives‐Gilabert, José D. Martín‐Guerrero

Published Apr 29, 2024• 8 citations
arXivHTMLPDF

Abstract

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.

DOI
10.1088/2632-2153/ad450f

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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.
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.
Quantum Fisher Information (QFI) sets the ultimate precision limit for parameter estimation and is therefore a central quantity in quantum metrology. In time-dependent many-body systems, however, maximizing QFI is a highly non-trivial task due to the combined effects of non-commutativity, control complexity, and the exponential growth of the Hilbert space. In this work, we present a physics-informed neural network (PINN) framework to address this problem through the learning of counter-diabatic quantum dynamics. Our approach combines a variational PINN formulation with a Magnus-expansion treatment of time-ordered evolution, enabling the adiabatic gauge potential and the scheduling function to be inferred directly from the underlying physics while enforcing the Euler-Lagrange structure of the protocol. The method is applied to several families of driven spin Hamiltonians, including nearest-neighbor, dipolar, and trapped-ion-inspired interactions, for systems of up to six qubits. The numerical results show that the proposed framework systematically improves over reference solutions based only on the Euler-Lagrange condition, yielding high normalized QFI together with favorable fidelity and extremal-balance metrics while preserving small phsical residuals. The analysis further shows that learning the scheduling function provides a clear performance advantage in most cases, and reveals non-trivial finite-size effects, with q=3q=3q=3 emerging as a particularly challenging regime. Although scalability remains limited by the exponential growth of the operator space and by automatic-differentiation costs, the results demonstrate that PINNs constitute a viable and physically grounded route for learning metrologically optimal control strategies in interacting quantum systems.
A quantum shortcut to adiabaticity scheme based on physics-informed neural networks is proposed in this work. Compared with traditional shortcut to adiabaticity technology, our method innovatively integrates machine learning methods by employing parameterized physics-informed neural networks to solve parameterized differential equations. The neural networks serve as an approximating function for quantum adiabatic evolution processes, while incorporating parameter-dependent differential equations and various physical constraints as components of the loss function. Through networks training, we effectively simulate quantum system dynamics and derive the driving control field for population inversion. Numerical simulations show that the quantum system can achieve rapid population inversion within significantly reduced time while maintaining high fidelity and exceptional robustness against parameter fluctuations. The neural networks exhibit remarkable computational capabilities, particularly suitable for generating control functions in complex quantum systems. Compared with conventional counter-diabatic driving and transitionless quantum driving methods, this PINN-based framework not only achieves better control performance but also provides the improved practicality for experimental implementations. The success of this method demonstrates its promising applications in quantum control tasks, including but not limited to quantum state preparation, quantum gate optimization, and adiabatic quantum computing acceleration.
Physics-informed neural networks (PINNs) represent a methodology that integrates physical equations into neural networks. By incorporating the residuals of physical equations as part of the loss function, PINNs enable the network to learn data features while simultaneously satisfying the constraints imposed by physical laws. The underlying principle of PINNs involves using optimization algorithms to iteratively update the network parameters until the value of a specified physics-informed loss function decreases to an acceptable level, thereby driving the network towards the solution of the differential equations. This approach is not merely a tool but serves as a bridge integrating scientific computing with artificial intelligence, offering novel paradigms for modeling and predicting complex systems. In this paper, we propose a non-Hermitian shortcut to adiabaticity (STA) scheme based on physics-informed neural networks. We utilize the physics-informed neural networks to solve parameterized differential equations, employing the neural networks as an approximating function for the quantum adiabatic evolution process. This provides an interpretable and end-to-end framework (termed STAPINNs) for control-field optimization, distinct from traditional gradient-based approaches like gradient ascent pulse engineering (GRAPE), which require pre-defined pulse parameterization. The parameterized differential equations, along with various physical constraints, are incorporated into the network's loss function. Training the networks allows them to fit the quantum system's evolution process and obtain the driving control function for population inversion. Compared to conventional STA techniques, our approach introduces machine learning into non-Hermitian quantum systems, enabling highly robust and high-fidelity population transfer. Numerical simulations demonstrate that the proposed method significantly outperforms traditional STA protocols under dissipative conditions, achieving fidelities above 0.99 even in the presence of substantial decoherence. Moreover, the framework demonstrates strong generalization across wide parameter ranges and is inherently scalable to multi-level and many-body systems due to the mesh-free, high-dimensional handling capability of PINNs. Neural networks possess strong computational capabilities suitable for generating driving control functions in complex systems, and are equally applicable to non-Hermitian STA techniques. The STAPINNs framework not only enhances control flexibility but also provides a powerful tool for optimizing quantum operations in open and noisy systems.
This study introduces a quantum-accelerated framework that integrates quantum optimization with physics-informed neural networks (PINNs) to solve PDEs more efficiently. By leveraging the Quantum Approximate Optimization Algorithm (QAOA), the proposed framework enhances the initialization and boundary parameter optimization of PINNs, addressing key challenges such as slow convergence and high computational cost. The hybrid approach combines the data efficiency and physical constraint embedding capabilities of PINNs with the computational advantages of quantum optimization, enabling faster and more accurate solutions for complex PDEs. The framework was validated using the Shuhao Cao PDE dataset, demonstrating significant improvements in training efficiency and accuracy compared to traditional numerical solvers and classical PINNs. Experimental results highlight that quantum optimization effectively accelerates convergence by optimizing initial conditions and boundary constraints, reducing the computational overhead associated with classical training processes. Despite its reliance on emerging quantum hardware and the sensitivity of PINNs to hyperparameter selection, this approach offers a scalable and robust solution for solving high-dimensional PDEs. The findings underscore the potential of hybrid quantum-classical methods in advancing scientific computing, providing a foundation for future research in stochastic PDEs, multi-physics problems, and other real-world applications.
This paper proposes an integrated quantum-classical approach that merges quantum computational dynamics with classical computing methodologies tailored to address control problems based on Pontryagin's minimum principle within a Physics-Informed Neural Network (PINN) framework. By lever-aging a dynamic quantum circuit that combines Gaussian and non-Gaussian gates, the study showcases an innovative approach to optimizing quantum state manipulations. The proposed hybrid model effectively applies machine learning techniques to solve optimal control problems. This is illustrated through the design and implementation of a hybrid PINN structure to solve a quantum state transition problem in a two and three-level system, highlighting its potential across various quantum computing applications.