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QEKI: A Quantum–Classical Framework for Efficient Bayesian Inversion of PDEs

Jiawei Yong, Sihai Tang

Published Jan 30, 2026• 0 citations
Publisher

Abstract

Solving Bayesian inverse problems efficiently stands as a major bottleneck in scientific computing. Although Bayesian Physics-Informed Neural Networks (B-PINNs) have introduced a robust way to quantify uncertainty, the high-dimensional parameter spaces inherent in deep learning often lead to prohibitive sampling costs. Addressing this, our work introduces Quantum-Encodable Bayesian PINNs trained via Classical Ensemble Kalman Inversion (QEKI), a framework that pairs Quantum Neural Networks (QNNs) with Ensemble Kalman Inversion (EKI). The core advantage lies in the QNN's ability to act as a compact surrogate for PDE solutions, capturing complex physics with significantly fewer parameters than classical networks. By adopting the gradient-free EKI for training, we mitigate the barren plateau issue that plagues quantum optimization. Through several benchmarks on 1D and 2D nonlinear PDEs, we show that QEKI yields precise inversions and substantial parameter compression, even in the presence of noise. While large-scale applications are constrained by current quantum hardware, this research outlines a viable hybrid framework for including quantum features within Bayesian uncertainty quantification.

DOI
10.3390/e28020156

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Solving Bayesian inverse problems efficiently stands as a major bottleneck in scientific computing. Although Bayesian Physics-Informed Neural Networks (B-PINNs) have introduced a robust way to quantify uncertainty, the high-dimensional parameter spaces inherent in deep learning often lead to prohibitive sampling costs. Addressing this, our work introduces Quantum-Encodable Bayesian PINNs trained via Classical Ensemble Kalman Inversion (QEKI), a framework that pairs Quantum Neural Networks (QNNs) with Ensemble Kalman Inversion (EKI). The core advantage lies in the QNN's ability to act as a compact surrogate for PDE solutions, capturing complex physics with significantly fewer parameters than classical networks. By adopting the gradient-free EKI for training, we mitigate the barren plateau issue that plagues quantum optimization. Through several benchmarks on 1D and 2D nonlinear PDEs, we show that QEKI yields precise inversions and substantial parameter compression, even in the presence of noise. While large-scale applications are constrained by current quantum hardware, this research outlines a viable hybrid framework for including quantum features within Bayesian uncertainty quantification.
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.
Quantum computing offers potential advantages for solving partial differential equations (PDEs). However, most existing quantum PDE solvers primarily focus on preparing quantum states for solutions, while the efficient recovery of classical information from these states remains less explored. Motivated by the readout limitation, we propose a quantum-classical hybrid framework for Bayesian PDE inversion problems: The quantum processor evolves the PDE and evaluate the loss function with sampling noises, while the classical computer tunes the hyper-parameters in the Gaussian Process Regression to explore the next trial candidate. To match the quantum solvers for linear and semi-linear autonomous evolution PDEs, we suggest to use a normalized quantum-state loss as the data-misfit function and evaluate the new misfit by combining quantum PDE solvers with the Hadamard test, thereby allowing us to extract useful classical information using only a limited number of quantum state copies without reconstructing the full solution vector. The analysis of error propagation and overall complexity of loss evaluation under a prescribed accuracy shows that the new data-misfit function outperforms the conventional L2-loss under quantum measurements. Quantum circuit simulations of 1D and 2D linear convection diffusion equations under approximate and finite sampling loss evaluations, together with classical numerical experiments on a nonlinear forced viscous Burgers equation, demonstrate the feasibility of the proposed approach for parameter inversion even when the loss evaluations are affected by sampling noise. This framework may provide a viable quantum-assisted scheme for PDE-based inverse problems and elucidate the potential of quantum PDE algorithms in addressing a complete quantum-to-end optimization stack.
Physics-informed neural networks (PINNs) have emerged as a versatile approach for solving nonlinear partial differential equations (PDEs), yet achieving high accuracy efficiently using these techniques remains challenging for high-dimensional or multiscale systems. Here, we present a hybrid quantum-classical framework that enhances Quantum PINNs (QPINNs) through adaptive collocation point sampling and loss-aware attention mechanisms. By dynamically prioritizing points in regions with large PDE residuals or steep solution gradients, our method mitigates the spectral bias inherent in conventional PINNs. Current Quantum Physics-Informed Neural Networks are commonly assumed to be limited by the expressive power of quantum circuits. In our work, we observed that, across diverse differential equations, optimization - not only expressivity - can be an important bottleneck. Furthermore, a trainable loss-weighting scheme balances contributions from physics residuals, boundary conditions, and data fidelity during training. Integrating these strategies with quantum computing techniques (including variational quantum circuits and quantum gradient estimation) can yield at least a 60% improvement in solution accuracy under specific regimes for benchmark fluid flows and reaction-diffusion systems. Finally, we argue that merely increasing model expressivity is insufficient for resolving complex PDEs via QPINNs, as they remain constrained by the structural optimization limitations of classical PINNs. This framework provides a scalable pathway for quantum-enhanced scientific machine learning, bridging physics-based modeling with emerging quantum computational capabilities.
In this work, we introduce the Quantum-Classical Hybrid Physics-Informed Neural Network with Multiplicative and Additive Couplings (QPINN-MAC): a novel hybrid architecture that integrates the framework of Physics-Informed Neural Networks (PINNs) with that of Quantum Neural Networks (QNNs). Specifically, we prove that through strategic couplings between classical and quantum components, the QPINN-MAC retains the universal approximation property, ensuring its theoretical capacity to represent complex solutions of ordinary differential equations (ODEs). Simultaneously, we demonstrate that the hybrid QPINN-MAC architecture actively mitigates the barren plateau problem, regions in parameter space where cost-function gradients decay exponentially with circuit depth, a fundamental obstacle in QNNs that hinders optimization during training. Furthermore, we prove that these couplings prevent gradient collapse, ensuring trainability even in high-dimensional regimes. Thus, our results establish a new pathway for constructing quantum-classical hybrid models with theoretical convergence guarantees, which are essential for the practical application of QPINNs.
This paper proposes a novel approach for solving nonlinear partial differential equations (PDEs) with a quantum computer, the trainable embedding quantum physics informed neural network (TE-QPINN). We combine quantum machine learning (QML) with physics informed neural networks (PINNs) in a hybrid approach. By leveraging the advantages of classical and quantum computers, we can create algorithms that have a potential to be run on noisy intermediate-scale quantum devices (NISQ). We use feedforward neural networks (FNN) as problem-agnostic embedding functions, giving the used quantum circuit greater expressibility than previously introduced embedding. This expressibility allows us to solve a wide range of problems without using a problem specific ansatz. Additionally, we introduce a hybrid backpropagation algorithm that allows efficient updates of the used weights and biases in the FNN embedding functions. In this paper we showcase the capabilities of TE-QPINNs of a wide range of problems, including the two-dimensional Poisson, Burgers and Navier-Stokes equations. In direct comparison with classical PINNs, this approach showed an ability to achieve superior results while using the same number of parameters, highlighting their potential for more efficient optimization in high-dimensional parameter spaces, which could be transformative for future applications.
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.