Structure-Oriented Randomized Neural Networks for Poisson-Nernst-Planck and Poisson-Nernst-Planck-Navier-Stokes Systems
Authors: Yunlong Li, Fei Wang
Organizations: School of Mathematics and Statistics, Xi’an Jiaotong University, Xi’an, Shaanxi 710049, P.R. China. · School of Mathematics and Statistics & State Key Laboratory of Multiphase Flow in Power Engineering, Xi’an Jiaotong University, Xi’an, Shaanxi 710049, China.
Abstract
We develop a structure-oriented randomized neural network framework, termed SO-RaNN, for the Poisson-Nernst-Planck (PNP) system and the Poisson-Nernst-Planck-Navier-Stokes (PNP-NS) system. The decoupled linearized subproblems are solved iteratively by randomized neural networks in a space-time framework. For the concentration variables, a pointwise cut-off is used to enforce positivity at the value level, and discrete mass-scaling factors are computed at selected correction instants and interpolated in time, so as to ensure exact mass matching at those instants and to promote approximate mass preservation between them. To introduce an auxiliary discrete dissipation mechanism, we further employ an SAV-type post-processing correction, which yields monotonicity of the SAV auxiliary variable under the ideal SAV update. For the PNP-NS system, a structure-preserving randomized neural network (SP-RaNN) is used for the velocity field, so that the velocity approximation satisfies the incompressibility constraint pointwise by construction. On the theoretical side, we derive residual-based estimates for the raw, uncorrected RaNN solvers of the linearized subproblems, formulate a conditional local-in-time convergence result for the raw outer Picard iteration of the PNP system, and analyze the value-level positivity correction together with the mass-correction and SAV post-processing steps. For the PNP-NS system, we establish an approximation result for the SP-RaNN space and provide a conditional error statement for the corresponding linearized Oseen-type problem. Numerical experiments demonstrate approximation accuracy in the source-driven manufactured tests and illustrate the intended value-level positivity correction, selected-time mass matching, computed free-energy curves based on the final gauge-fixed potential, and divergence-free approximation in benchmark tests.
Neural networks with randomly generated hidden weights (RaNNs) have been extensively studied, both as a standalone learning method and as an initialization for fully trainable deep learning methods. In this work, we study RaNN expressivity for learning solutions to non-linear partial differential equations (PDEs). Despite their widespread use in practical applications, a rigorous theoretical understanding of the approximation properties of RaNNs in this context remains limited. Here, we derive error bounds for RaNN approximations to time-dependent Sobolev functions and obtain a dimension-free approximation rate 21 for sufficiently regular functions. We apply our results to two important classes of non-linear PDEs: Porous Medium Equations and Compressible Navier-Stokes Equations, showing that RaNNs are capable of efficiently approximating solutions to these complex, non-linear PDEs. Our theoretical analysis is supported by numerical experiments, showing that the obtained convergence rates extend beyond the considered setting.
Randomized neural networks (RaNNs) are attractive for partial differential equations (PDEs) because they replace expensive end-to-end training with a linear least-squares solve over randomized hidden features. Their practical performance, however, depends strongly on the sampling distribution of the hidden-layer parameters, which is usually chosen heuristically and problem by problem. This distribution sensitivity is a central bottleneck in randomized neural PDE solvers. In this work, we propose Adaptive-Distribution Randomized Neural Networks (AD-RaNN), a framework that promotes randomized feature generation from a fixed heuristic choice to a low-dimensional adaptive optimization problem. Instead of training all hidden weights and biases, AD-RaNN parameterizes the hidden-feature sampling distribution by a low-dimensional vector p and optimizes only p, thereby preserving the least-squares structure of RaNNs while reducing manual distribution tuning. The method uses a two-stage strategy: ridge-regularized reduced training for stable distribution-parameter optimization, followed by an unregularized least-squares refit for final solution recovery. We develop two adaptive mechanisms, PDE-Driven Adaptive Distribution (PDAD) and Data-Driven Adaptive Distribution (DDAD), and deploy them in space-time solvers, discrete-time solvers, and operator-learning models. We also incorporate an adaptive layer-growth enhancement for localized structures. For the reduced optimization problem, we establish well-posedness of the reduced objectives, consistency of ridge-regularized minimizers, an efficient gradient formula, and a practical lower-bound estimate for the ridge parameter. Numerical experiments on benchmark problems show that AD-RaNN provides an effective distribution-level adaptation mechanism, reduces reliance on hand-crafted hidden-feature distributions, and achieves strong empirical accuracy.
Neural surrogate models offer fast approximate mappings from PDE parameters to solutions, but they typically treat solving as a purely statistical task: once trained, they struggle to correct their own constraint violations and extrapolate beyond the training distribution. Recent hybrid methods promote physical correctness by targeting the PDE residual via gradient descent or Gauss--Newton steps, but inherit the compute cost and instability of the underlying classical optimizers. We show, theoretically and empirically, that numerically minimizing the PDE residual can be an unreliable proxy for reconstruction accuracy in ill-conditioned systems, explaining why these methods often do not make accurate predictions despite achieving low residuals. We propose error-conditioned Neural Solvers (ENS), built on a different principle: rather than an optimization target, the PDE residual field is passed as a direct input to the network at each iteration, enabling it to read the spatial structure of its own errors and learn an update policy to iteratively correct its predictions. Across four PDE families, ENS attains the highest prediction accuracy in the large majority of settings, with gains reaching 10× on turbulent Kolmogorov flow, while avoiding the expensive compute cost of hybrid methods. ENS's learned correction policy generalizes under distribution shift, including zero-shot parameter changes and cross-equation transfer, where its relative advantage is largest in the ill-conditioned regimes where residual minimization is least reliable. Project website: https://neuralsolver.github.io/.