Homogenization With Guaranteed Bounds via Primal‐Dual Physically Informed Neural Networks

ABSTRACT Physics‐informed neural networks (PINNs) have shown promise in solving partial differential equations (PDEs) relevant to multiscale modeling, but they often fail when applied to materials with discontinuous coefficients, such as media with piecewise constant properties. This paper introduces a dual formulation for the PINN framework to improve the reliability of the homogenization of periodic thermo‐conductive composites, for both strong and variational (weak) formulations. The dual approach facilitates the derivation of guaranteed upper and lower error bounds, enabling more robust detection of PINN failure. We compare standard PINNs applied to smoothed material approximations with variational PINNs (VPINNs) using both spectral and neural network‐based test functions. Our results indicate that while strong‐form PINNs may outperform VPINNs in controlled settings, they are sensitive to material discontinuities and may fail without clear diagnostics. In contrast, VPINNs accommodate piecewise constant material parameters directly but require careful selection of test functions to avoid instability. Dual formulation serves as a reliable indicator of convergence quality, and its integration into PINN frameworks enhances their applicability to homogenization problems in micromechanics.