Mar 2026· arXiv.org· Vol abs/2603.27936· 0 citations· 49 references
MathematicsComputer Science
TL;DR
The results show that Deflation-PINNs can successfully identify and characterize multiple distinct crystal structures: a single unsupervised run recovers all six stable states of the benchmark and the discovered branches are refined to percent-level accuracy.
Abstract
Nonlinear Partial Differential Equations (PDEs) are ubiquitous in mathematical physics and engineering. Although Physics-Informed Neural Networks (PINNs) have emerged as a powerful tool for solving PDE problems, they typically struggle to identify multiple distinct solutions, since they are designed to find one solution at a time. To address this limitation, we introduce Deflation-PINNs, a novel framework that integrates a deflation loss with an architecture based on PINNs and Deep Operator Networks (DeepONets). By incorporating a deflation term into the loss function, our method systematically forces the Deflation-PINN to seek and converge upon distinct finitely many solution branches. We provide theoretical results on the approximation capabilities of our model and demonstrate the efficacy of Deflation-PINNs through numerical experiments on the Landau-de Gennes model of liquid crystals, a system renowned for its complex energy landscape and multiple equilibrium states, and on an Allen--Cahn benchmark whose solution set is provably known. Our results show that Deflation-PINNs can successfully identify and characterize multiple distinct crystal structures: a single unsupervised run recovers all six stable states of the benchmark, each branch certified to lie in the basin of attraction of a different equilibrium, and the discovered branches are refined to percent-level accuracy by a purely neural Deflation--Deep-Ritz stage and to the accuracy of a mesh-converged reference by a classical solver that they initialize.
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