🤖 AI Summary
This work addresses the challenge of jointly modeling forward and inverse problems for partial differential equations (PDEs) in multiphase media, where discrete microstructures induce non-differentiability and conventional approaches suffer from either low physical fidelity or model redundancy. To this end, we propose GenPANIS, a unified generative framework that enables end-to-end optimization by embedding discrete microstructures into continuous latent variables, thereby facilitating gradient backpropagation while strictly preserving structural discreteness. Integrating a physics-aware decoder, a learnable normalizing flow prior, and a differentiable coarse-grained PDE solver, GenPANIS achieves unsupervised training, extrapolation generalization, and uncertainty quantification with minimal labeled data. In Darcy flow and Helmholtz equation tasks, GenPANIS outperforms existing methods with 10–100× fewer parameters, maintaining high accuracy and reliable uncertainty estimates under unseen boundary conditions, volume fractions, and microstructural morphologies.
📝 Abstract
Inverse problems and inverse design in multiphase media, i.e., recovering or engineering microstructures to achieve target macroscopic responses, require operating on discrete-valued material fields, rendering the problem non-differentiable and incompatible with gradient-based methods. Existing approaches either relax to continuous approximations, compromising physical fidelity, or employ separate heavyweight models for forward and inverse tasks. We propose GenPANIS, a unified generative framework that preserves exact discrete microstructures while enabling gradient-based inference through continuous latent embeddings. The model learns a joint distribution over microstructures and PDE solutions, supporting bidirectional inference (forward prediction and inverse recovery) within a single architecture. The generative formulation enables training with unlabeled data, physics residuals, and minimal labeled pairs. A physics-aware decoder incorporating a differentiable coarse-grained PDE solver preserves governing equation structure, enabling extrapolation to varying boundary conditions and microstructural statistics. A learnable normalizing flow prior captures complex posterior structure for inverse problems. Demonstrated on Darcy flow and Helmholtz equations, GenPANIS maintains accuracy on challenging extrapolative scenarios - including unseen boundary conditions, volume fractions, and microstructural morphologies, with sparse, noisy observations. It outperforms state-of-the-art methods while using 10 - 100 times fewer parameters and providing principled uncertainty quantification.