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arXiv:2609.22189

Physics-Informed Classical and Quantum Neural Networks for One-Dimensional Schrodinger Eigenvalue Problems

Tariq Mahmood, Waqas Arshad, Bilal Naseer, Alfredo Raya

quant-phcs.LGhep-phhep-thSubmitted Aug 28, 2026• Announced Sep 1, 2026• 0 citations
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Abstract

The Schrodinger equation in one spatial dimension admits a small set of exactly solvable potentials that serve as natural proving grounds for any new eigenvalue solver. We formulate Physics-Informed Neural Networks (PINNs) and Physics-Informed Quantum Neural Networks (PIQNNs) for the time-independent Schrodinger equation and apply them to three of these benchmarks: the harmonic oscillator, the infinite square well, and the finite square well. In each case a composite loss encodes the differential-equation residual, the normalization condition, the boundary behavior, and the orthogonality between eigenstates, so that the trial wave function is driven toward a genuine eigenfunction without supervised data. The eigenvalues and wave functions returned by both methods are compared against the exact spectra and against three classical references: the matrix Numerov method, the finite difference method, and the shooting method. For the smooth oscillator the two neural solvers reproduce the lowest four eigenvalues to parts per million, while for the square wells they recover the analytic levels with comparable fidelity even where the potential is discontinuous. The quantum circuit, built as a layered angle-embedding ansatz with strongly entangling blocks, converges more reliably than its classical counterpart on the higher excited states, where the loss landscape of the classical network becomes harder to navigate.

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Solving the Time-Dependent Schr¨odinger Equation for a Harmonic Oscillator and Extracting the Bohm Quantum Potential Using PINNs

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Physics-Informed Neural Networks (PINNs) offer an effective framework for solving partial differential equations by incorporating governing physical laws into the learning process. When applied to quantum mechanical differential equations such as the Schr¨odinger equation, this approach produces smooth wavefunctions suitable for computing both conventional observables and Bohmian quantities. In this work, a PINNs based framework is developed to solve the one-dimensional time-dependent Schr¨odinger equation for the Quantum Har monic Oscillator, a fundamental model with broad relevance in quantum and plasma physics. A fully connected neural network is used to represent the real and imaginary parts of the wavefunction, with the Schr¨odinger equation enforced through the loss function together with appropriate initial and boundary conditions. Automatic differentiation is employed to compute the required derivatives and to extract physical quantities from the learned solution. The method accurately reproduces the ground-state wavefunction and yields a ground-state energy in agreement with the analytical result. The Bohm quantum potential obtained from the network also matches the corresponding analytical expression, demon strating that the essential spatial structure of the quantum amplitude is well captured. These results demonstrate that PINNs constitute a reliable and conceptually transparent framework for solving the time-dependent Schr¨odinger equation. Within this differential equation based setting, PINNs also enable systematic exploration of Bohmian aspects of quantum systems, where Bohmian quantities such as the quantum potential provide physical insight into confinement effects and the emergence of effective potentials.

Journal of Physics Education•Mar 10, 2026•0 citations

A Tutorial on the Use of Physics-Informed Neural Networks to Compute the Spectrum of Quantum Systems

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Quantum many-body systems are of great interest for many research areas, including physics, biology, and chemistry. However, their simulation is extremely challenging, due to the exponential growth of the Hilbert space with system size, making it exceedingly difficult to parameterize the wave functions of large systems by using exact methods. Neural networks and machine learning, in general, are a way to face this challenge. For instance, methods like tensor networks and neural quantum states are being investigated as promising tools to obtain the wave function of a quantum mechanical system. In this tutorial, we focus on a particularly promising class of deep learning algorithms. We explain how to construct a Physics-Informed Neural Network (PINN) able to solve the Schrödinger equation for a given potential, by finding its eigenvalues and eigenfunctions. This technique is unsupervised, and utilizes a novel computational method in a manner that is barely explored. PINNs are a deep learning method that exploit automatic differentiation to solve integro-differential equations in a mesh-free way. We show how to find both the ground and the excited states. The method discovers the states progressively by starting from the ground state. We explain how to introduce inductive biases in the loss to exploit further knowledge of the physical system. Such additional constraints allow for a faster and more accurate convergence. This technique can then be enhanced by a smart choice of collocation points in order to take advantage of the mesh-free nature of the PINN. The methods are made explicit by applying them to the infinite potential well and the particle in a ring, a challenging problem to be learned by an artificial intelligence agent due to the presence of complex-valued eigenfunctions and degenerate states

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A Comparative Analysis of Adaptive and Scheduled Dynamic Loss Weighting Strategies in Quantum Physics-Informed Neural Networks (QPINNs) for Solving the 1D TimeIndependent Schrodinger Equation

John Edoh Onuh, Ming Jiang

In recent years, Quantum Computing has revolutionized the field of physics by enabling researchers to tackle complex problems that were previously unsolvable. The ability to simulate and analyze phenomena at a quantum level has led to significant breakthroughs in our understanding of the universe. In this article, we describe and discuss how quantum computers are being used for cutting-edge research in quantum physics. The time-independent Schrödinger equation is a cornerstone of quantum mechanics, yet its solution for complex systems is a formidable computational challenge. Quantum Physics-Informed Neural Networks (QPINNs) have emerged as a promising paradigm, leveraging Quantum Neural Networks (QNNs) as a wavefunction ansatz within a physics-informed machine learning framework. A critical and often overlooked aspect of training these models is the management of the multi-term loss function, which balances adherence to the governing Partial Differential Equation (PDE) with physical constraints such as normalization. This paper presents a comprehensive implementation and comparative analysis of two distinct Dynamic Loss Weighting (DLW) strategies for training QPINNs to solve the 1D time-independent Schrödinger equation. The first strategy is an adaptive, gradient-based method that dynamically balances loss components based on their real-time impact on model parameters. The second is a pre-scheduled annealing method that follows a curriculum-like approach, prioritizing different physical constraints at different stages of training. We apply these methods to two benchmark systems: the Quantum Harmonic Oscillator (QHO) and the Finite Square Well. Our results demonstrate that the adaptive, gradient-based DLW, when paired with a physic informed wavefunction ansatz for the QHO, achieves remarkable accuracy, converging to the exact ground state energy of \(E{\rm{\ }} = {\rm{\ }}0.5\). Conversely, the scheduled annealing strategy applied to Square Well, using a more generic ansatz, converges to a plausible energy but with a higher residual loss. This comparative analysis reveals a crucial insight: the effectiveness of a DLW strategy is deeply intertwined with the physical-informedness of the underlying wavefunction ansatz. This suggests that a synergistic co-design philosophy, which considers the interplay between the quantum model's architecture and the adaptive training algorithm, is essential for developing robust and accurate QPINN-based solvers for quantum systems.

International Conference on Information Communication and Applications (ICICA)•Sep 14, 2025•1 citation

Physics-informed quantum neural network for solving forward and inverse problems of partial differential equations

Yang Xiao, Liming Yang, Chang Shu +4 more

Recently, physics-informed neural networks (PINNs) have aroused an upsurge in the field of scientific computing including solving partial differential equations (PDEs), which convert the task of solving PDEs into an optimization challenge by adopting governing equations and definite conditions or observation data as loss functions. Essentially, the underlying logic of PINNs is based on the universal approximation and differentiability properties of classical neural networks (NNs). Recent research has revealed that quantum neural networks (QNNs), known as parameterized quantum circuits, also exhibit universal approximation and differentiability properties. This observation naturally suggests the application of PINNs to QNNs. In this work, we introduce a physics-informed quantum neural network (PI-QNN) by employing the QNN as the function approximator for solving forward and inverse problems of PDEs. The performance of the proposed PI-QNN is evaluated by various forward and inverse PDE problems. Numerical results indicate that PI-QNN demonstrates superior convergence over PINN when solving PDEs with exact solutions that are strongly correlated with trigonometric functions. Moreover, its accuracy surpasses that of PINN by two to three orders of magnitude, while requiring fewer trainable parameters. However, the computational time of PI-QNN exceeds that of PINN due to its operation on classical computers. This limitation may improve with the advent of commercial quantum computers in the future. Furthermore, we briefly investigate the impact of network architecture on PI-QNN performance by examining two different QNN architectures. The results suggest that increasing the number of trainable network layers can enhance the expressiveness of PI-QNN. However, an excessive number of data encoding layers significantly increases computational time, rendering the marginal gains in performance insufficient to compensate for the shortcomings in computational efficiency.

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Evaluating the performance of classical, quantum, and hybrid quantum neural networks in solving differential equations

Navid Markazi, Behrouz Mirza

We investigate the performance of classical, quantum, and hybrid quantum neural networks in solving partial differential equations through both supervised and unsupervised learning. The performance of each type of network is evaluated in solving the damped harmonic oscillator, the Einstein field equations, and the time-independent Schrödinger equation. We employed physics-informed supervised neural networks to solve the damped harmonic oscillator and the Einstein field equations, and developed an unsupervised neural network algorithm based on the shooting method for the time-independent Schrödinger equation. For the quantum neural networks, we introduced three variational parameterized quantum feature maps and two quantum circuits for the hybrid quantum neural networks. Each network was examined in three different configurations and evaluated across multiple random seeds. Under favorable parameter initializations, the hybrid quantum neural networks achieve higher accuracy than the classical neural networks in most cases across all tested problems. In contrast, the quantum neural networks attain the best accuracy for the damped harmonic oscillator and also perform well in the Schrödinger equation problem. Both the quantum and the hybrid quantum neural networks require fewer parameters than the classical neural networks and converge faster during optimization. All three models exhibit sensitivity to parameter initialization, with the quantum neural networks displaying the highest variability across different problems.

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Hybrid quantum-classical physics-informed neural networks for solving nonlinear PDEs: when and where hybridization is effective?

Kaveh Zabihi, Hamid Montazeri, Akke S. J. Suiker

Physics-informed neural networks (PINNs) often struggle on nonlinear partial differential equations (PDEs) with sharp gradients, stiff dynamics, high-frequency content, or multiscale structure. Such limitations, rooted in spectral bias, ill-conditioned optimization, and unstable convergence, restrict PINN accuracy in regimes where advanced solvers are most needed. In this work, we develop a hybrid quantum-classical physics-informed neural network (HQPINN) that integrates a classical neural-network backbone with a parameterized quantum circuit (PQC) to enrich the solution representation. The framework is benchmarked against a classical PINN on three representative nonlinear PDEs: Burgers' equation, the Allen-Cahn equation, and the Korteweg-de Vries (KdV) equation. The framework is further examined through a systematic sensitivity analysis of qubit count, circuit depth, PQC placement, collocation density, and classical-network width. Across all benchmarks, HQPINNs exhibit smoother training dynamics, reduced loss oscillations, and improved final accuracy, with the largest gains occurring in stiff and multiscale regimes. Relative L2 error decreases by about fourfold for Burgers' equation and fivefold for the Allen-Cahn equation, while improvements for the KdV equation are more moderate. Overall, the results demonstrate that carefully co-designed hybrid quantum-classical architectures can mitigate key limitations of classical PINNs and provide practical design guidance for near-term quantum-enhanced PDE solvers.

quant-pharXiv:2606.04679•Jun 4, 2026•0 citations
The Schrodinger equation in one spatial dimension admits a small set of exactly solvable potentials that serve as natural proving grounds for any new eigenvalue solver. We formulate Physics-Informed Neural Networks (PINNs) and Physics-Informed Quantum Neural Networks (PIQNNs) for the time-independent Schrodinger equation and apply them to three of these benchmarks: the harmonic oscillator, the infinite square well, and the finite square well. In each case a composite loss encodes the differential-equation residual, the normalization condition, the boundary behavior, and the orthogonality between eigenstates, so that the trial wave function is driven toward a genuine eigenfunction without supervised data. The eigenvalues and wave functions returned by both methods are compared against the exact spectra and against three classical references: the matrix Numerov method, the finite difference method, and the shooting method. For the smooth oscillator the two neural solvers reproduce the lowest four eigenvalues to parts per million, while for the square wells they recover the analytic levels with comparable fidelity even where the potential is discontinuous. The quantum circuit, built as a layered angle-embedding ansatz with strongly entangling blocks, converges more reliably than its classical counterpart on the higher excited states, where the loss landscape of the classical network becomes harder to navigate.
Physics-Informed Neural Networks (PINNs) offer an effective framework for solving partial differential equations by incorporating governing physical laws into the learning process. When applied to quantum mechanical differential equations such as the Schr¨odinger equation, this approach produces smooth wavefunctions suitable for computing both conventional observables and Bohmian quantities. In this work, a PINNs based framework is developed to solve the one-dimensional time-dependent Schr¨odinger equation for the Quantum Har monic Oscillator, a fundamental model with broad relevance in quantum and plasma physics. A fully connected neural network is used to represent the real and imaginary parts of the wavefunction, with the Schr¨odinger equation enforced through the loss function together with appropriate initial and boundary conditions. Automatic differentiation is employed to compute the required derivatives and to extract physical quantities from the learned solution. The method accurately reproduces the ground-state wavefunction and yields a ground-state energy in agreement with the analytical result. The Bohm quantum potential obtained from the network also matches the corresponding analytical expression, demon strating that the essential spatial structure of the quantum amplitude is well captured. These results demonstrate that PINNs constitute a reliable and conceptually transparent framework for solving the time-dependent Schr¨odinger equation. Within this differential equation based setting, PINNs also enable systematic exploration of Bohmian aspects of quantum systems, where Bohmian quantities such as the quantum potential provide physical insight into confinement effects and the emergence of effective potentials.
Quantum many-body systems are of great interest for many research areas, including physics, biology, and chemistry. However, their simulation is extremely challenging, due to the exponential growth of the Hilbert space with system size, making it exceedingly difficult to parameterize the wave functions of large systems by using exact methods. Neural networks and machine learning, in general, are a way to face this challenge. For instance, methods like tensor networks and neural quantum states are being investigated as promising tools to obtain the wave function of a quantum mechanical system. In this tutorial, we focus on a particularly promising class of deep learning algorithms. We explain how to construct a Physics-Informed Neural Network (PINN) able to solve the Schrödinger equation for a given potential, by finding its eigenvalues and eigenfunctions. This technique is unsupervised, and utilizes a novel computational method in a manner that is barely explored. PINNs are a deep learning method that exploit automatic differentiation to solve integro-differential equations in a mesh-free way. We show how to find both the ground and the excited states. The method discovers the states progressively by starting from the ground state. We explain how to introduce inductive biases in the loss to exploit further knowledge of the physical system. Such additional constraints allow for a faster and more accurate convergence. This technique can then be enhanced by a smart choice of collocation points in order to take advantage of the mesh-free nature of the PINN. The methods are made explicit by applying them to the infinite potential well and the particle in a ring, a challenging problem to be learned by an artificial intelligence agent due to the presence of complex-valued eigenfunctions and degenerate states
In recent years, Quantum Computing has revolutionized the field of physics by enabling researchers to tackle complex problems that were previously unsolvable. The ability to simulate and analyze phenomena at a quantum level has led to significant breakthroughs in our understanding of the universe. In this article, we describe and discuss how quantum computers are being used for cutting-edge research in quantum physics. The time-independent Schrödinger equation is a cornerstone of quantum mechanics, yet its solution for complex systems is a formidable computational challenge. Quantum Physics-Informed Neural Networks (QPINNs) have emerged as a promising paradigm, leveraging Quantum Neural Networks (QNNs) as a wavefunction ansatz within a physics-informed machine learning framework. A critical and often overlooked aspect of training these models is the management of the multi-term loss function, which balances adherence to the governing Partial Differential Equation (PDE) with physical constraints such as normalization. This paper presents a comprehensive implementation and comparative analysis of two distinct Dynamic Loss Weighting (DLW) strategies for training QPINNs to solve the 1D time-independent Schrödinger equation. The first strategy is an adaptive, gradient-based method that dynamically balances loss components based on their real-time impact on model parameters. The second is a pre-scheduled annealing method that follows a curriculum-like approach, prioritizing different physical constraints at different stages of training. We apply these methods to two benchmark systems: the Quantum Harmonic Oscillator (QHO) and the Finite Square Well. Our results demonstrate that the adaptive, gradient-based DLW, when paired with a physic informed wavefunction ansatz for the QHO, achieves remarkable accuracy, converging to the exact ground state energy of E = 0.5E{\rm{\ }} = {\rm{\ }}0.5E = 0.5. Conversely, the scheduled annealing strategy applied to Square Well, using a more generic ansatz, converges to a plausible energy but with a higher residual loss. This comparative analysis reveals a crucial insight: the effectiveness of a DLW strategy is deeply intertwined with the physical-informedness of the underlying wavefunction ansatz. This suggests that a synergistic co-design philosophy, which considers the interplay between the quantum model's architecture and the adaptive training algorithm, is essential for developing robust and accurate QPINN-based solvers for quantum systems.
Recently, physics-informed neural networks (PINNs) have aroused an upsurge in the field of scientific computing including solving partial differential equations (PDEs), which convert the task of solving PDEs into an optimization challenge by adopting governing equations and definite conditions or observation data as loss functions. Essentially, the underlying logic of PINNs is based on the universal approximation and differentiability properties of classical neural networks (NNs). Recent research has revealed that quantum neural networks (QNNs), known as parameterized quantum circuits, also exhibit universal approximation and differentiability properties. This observation naturally suggests the application of PINNs to QNNs. In this work, we introduce a physics-informed quantum neural network (PI-QNN) by employing the QNN as the function approximator for solving forward and inverse problems of PDEs. The performance of the proposed PI-QNN is evaluated by various forward and inverse PDE problems. Numerical results indicate that PI-QNN demonstrates superior convergence over PINN when solving PDEs with exact solutions that are strongly correlated with trigonometric functions. Moreover, its accuracy surpasses that of PINN by two to three orders of magnitude, while requiring fewer trainable parameters. However, the computational time of PI-QNN exceeds that of PINN due to its operation on classical computers. This limitation may improve with the advent of commercial quantum computers in the future. Furthermore, we briefly investigate the impact of network architecture on PI-QNN performance by examining two different QNN architectures. The results suggest that increasing the number of trainable network layers can enhance the expressiveness of PI-QNN. However, an excessive number of data encoding layers significantly increases computational time, rendering the marginal gains in performance insufficient to compensate for the shortcomings in computational efficiency.
We investigate the performance of classical, quantum, and hybrid quantum neural networks in solving partial differential equations through both supervised and unsupervised learning. The performance of each type of network is evaluated in solving the damped harmonic oscillator, the Einstein field equations, and the time-independent Schrödinger equation. We employed physics-informed supervised neural networks to solve the damped harmonic oscillator and the Einstein field equations, and developed an unsupervised neural network algorithm based on the shooting method for the time-independent Schrödinger equation. For the quantum neural networks, we introduced three variational parameterized quantum feature maps and two quantum circuits for the hybrid quantum neural networks. Each network was examined in three different configurations and evaluated across multiple random seeds. Under favorable parameter initializations, the hybrid quantum neural networks achieve higher accuracy than the classical neural networks in most cases across all tested problems. In contrast, the quantum neural networks attain the best accuracy for the damped harmonic oscillator and also perform well in the Schrödinger equation problem. Both the quantum and the hybrid quantum neural networks require fewer parameters than the classical neural networks and converge faster during optimization. All three models exhibit sensitivity to parameter initialization, with the quantum neural networks displaying the highest variability across different problems.
Physics-informed neural networks (PINNs) often struggle on nonlinear partial differential equations (PDEs) with sharp gradients, stiff dynamics, high-frequency content, or multiscale structure. Such limitations, rooted in spectral bias, ill-conditioned optimization, and unstable convergence, restrict PINN accuracy in regimes where advanced solvers are most needed. In this work, we develop a hybrid quantum-classical physics-informed neural network (HQPINN) that integrates a classical neural-network backbone with a parameterized quantum circuit (PQC) to enrich the solution representation. The framework is benchmarked against a classical PINN on three representative nonlinear PDEs: Burgers' equation, the Allen-Cahn equation, and the Korteweg-de Vries (KdV) equation. The framework is further examined through a systematic sensitivity analysis of qubit count, circuit depth, PQC placement, collocation density, and classical-network width. Across all benchmarks, HQPINNs exhibit smoother training dynamics, reduced loss oscillations, and improved final accuracy, with the largest gains occurring in stiff and multiscale regimes. Relative L2 error decreases by about fourfold for Burgers' equation and fivefold for the Allen-Cahn equation, while improvements for the KdV equation are more moderate. Overall, the results demonstrate that carefully co-designed hybrid quantum-classical architectures can mitigate key limitations of classical PINNs and provide practical design guidance for near-term quantum-enhanced PDE solvers.