Search arXivSearch

arXiv · 2503.06403

Global physics-informed neural networks (GPINNs): from local point-wise constraint to global nodal association

Abstract

Recently, physics-informed neural networks (PINNs) and their variants have gained significant popularity as a scientific computing method for solving partial differential equations (PDEs), whereas accuracy is still its main shortcoming. Despite numerous development efforts, there is no literature demonstrating that these methods surpass classic numerical algorithms in solving the forward issue. In this paper, by analyzing the disparities between PINNs and traditional numerical methods based on mesh discretization, we investigate the underlying causes for the in adequate precision of PINNs and introduce a novel approach named global physics-informed neural networks (GPINNs). Inspired by the crucial concept of global nodal association in conventional numerical algorithms, GPINNs leverages the prior field distribution information from pre-trained PINNs to estimate the association weights between arbitrary nodes in space. GPINNs can not only be regarded as a meshless approach but also be demonstrated, both theoretically and in practical circumstances, to have the ability of second-order convergence when trained with equidistant nodes. Overall, GPINNs may be seen as an ideal approach to inheriting the merits of scientific machine learning (SciML) and conventional numerical computing, which also represent the first SciML algorithm to surpass standard numerical methods in terms of accuracy.

Explore related subjects

Keep this discovery

Explore connections, maps & timelines

BibTeXRIS

Feng Chen, Yiran Meng, Kegan Li, Chaoran Yang, Jiong Yang. 2025-03-09. Global physics-informed neural networks (GPINNs): from local point-wise constraint to global nodal association. https://arxiv.org/abs/2503.06403

Cite the original work for its findings. Save a collection to share your selection of sources.

KEEP EXPLORING

Related papers

Bi-Hamiltonian in Semiflexible Polymers built upon Overdamping Process

Quantifying the interaction between a system of interest and its ambient conditions, the memory effect links the states of two distinct Hamiltonians: one for the target system and one for the environment. In this paper, we propose the diffusion process derived from the Smoluchowski equation that can derive the evolution process described by the memory effect integration in a non Markovian regime. The Smoluchowski picture, within the framework of stochastic thermodynamics, justifies a diffusion process incorporated into the equations of motion, and the result of the derivation enables a coarse-grained molecular dynamics simulation with the modified equation of motion to reproduce attenuation from collisions between single walled carbon nanotubes (SWCNTs) under far from equilibrium conditions. The results of the numerical experiments on the collision confirm that heat diffusion compensates for the correlated momentum arising from the memory effect between the two Hamiltonians in both equilibrium and far from equilibrium states.

physics.comp-ph

Translation of transient acoustic fields

A method is presented for the translation of acoustic field data from a source to a target region. Field data are represented as spherical harmonic expansions on spheres surrounding the source and target regions respectively and expansions are translated using a ``point and shoot'' method using the Kirchhoff--Helmholtz integral to carry out an axial translation from one sphere to the other. The principal motivation for the method is its use in a time-domain Fast Multipole Method, and test cases reflective of this application are presented. The method converges to six digits for appropriate values of parameters and for the values of $N$ considered here computational effort scales approximately as $N^{2}$ where $N$ is the order of spherical harmonic expansion for the field data. The method is causal and thus avoids artifacts generated in methods which are not based on intrinsically causal formulations.

physics.comp-ph

Learning continuous reaction paths for transition-state prediction

Transition states are defined by reaction pathways, yet most machine-learning methods predict them as isolated geometries. We introduce MARC-TS, a two-stage framework that learns a continuous, endpoint-conditioned path, queries it at any resolution and uses local path context to refine a transition-state candidate. We construct T1x-IRC-8K, a dataset of 8,209 reactions and 1,088,725 path-resolved geometries. On held-out reactions, the path model reduced complete-path error by 48.4% relative to endpoint interpolation, and the localizer achieved a mean aligned structural error of 0.127 Å. Quantum-chemical optimization and vibrational analysis yielded 405 frequency-confirmed first-order saddle-point candidates from 410 predictions. In a 100-reaction nudged elastic band comparison, learned-path initialization reached a joint geometry-and-force target for 66% of reactions, compared with 12% for geometric interpolation after 100 optimizer steps. By treating the path as a reusable representation rather than an auxiliary output, MARC-TS connects transition-state prediction, mechanistic interpretation and quantum-chemical refinement.

physics.comp-ph