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David Pankaczy

Publications and source records attributed to David Pankaczy.

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A Systematic Benchmark of Physics-Informed Neural Network Architectures for the Stiff Poisson-Nernst-Planck System: Adaptive LossWeighting and Multi-Scale Resolution

The Poisson Nernst Planck PNP system constitutes a canonical stiff coupled PDE problem where the charge density prefactor produces extreme coefficient ratios and the electric double layer imposes sharp boundary layers. Physics informed neural networks PINNs are appealing here because they require no mesh and differentiate through the physics automatically. Spectral bias and multi task loss imbalance however have limited their accuracy on stiff PNP systems. We present the first systematic data free benchmark of eleven PINN configurations organised into four strategy groups on a physically parametrised one dimensional PNP model for a lithium symmetric cell implemented within NVIDIA PhysicsNeMo Sym and validated against a finite volume method FVM reference. Root mean square errors RMSE span across architectures. The balanced residual decay rate BRDR scheme matches Neural Tangent Kernel NTK performance for concentration fields while reducing mean wall clock time making it the preferable strategy under compute constraints. Loss landscape geometry corroborates the RMSE ranking. We release an open source PhysicsNeMo Sym implementation for reuse on stiff coupled PDE problems in computational mechanics.

physics.app-ph

Neural Spectral Element Methods for stiff multiphysics PDEs with electrochemical transport benchmarks

The Neural Spectral Element Method (NSEM) evaluates each network only at fixed Legendre-Gauss-Lobatto quadrature nodes and replaces all derivative calls with precomputed spectral differentiation matrices. The resulting deterministic loss enables limited-memory BFGS (L-BFGS) to reach residuals of 10^-9 to 10^-10. A Kosloff-Tal-Ezer coordinate map resolves electrochemical boundary layers, while a mesh-free neural mortar framework couples multi-element domains. On the four-example Poisson-Nernst-Planck (PNP) benchmark of Huang and co-workers, NSEM attains 10^-4 to 10^-7 relative pointwise error with two orders of magnitude fewer collocation points than the adaptive-resampling PINN baseline. Both a tanh multilayer perceptron (MLP) and a basis-aligned Legendre Kolmogorov-Arnold Network (KAN) backbone attain spectral accuracy within the same NSEM infrastructure, with the KAN requiring roughly half the Adam steps to enter the L-BFGS basin of attraction on the 1D PNP benchmark.

cond-mat.mtrl-sci