An end-to-end differentiable, graph neural network-embedded pore network model for permeability prediction

Accurate prediction of permeability in porous media is essential for modeling subsurface flow. While pure data-driven models offer computational efficiency, they often lack generalization across scales and do not incorporate explicit physical constraints. Pore network models (PNMs), on the other hand, are physics-based and efficient but rely on idealized geometric assumptions to estimate pore-scale hydraulic conductance, limiting their accuracy in complex structures. To overcome these limitations, we present an end-to-end differentiable hybrid framework that embeds a graph neural network (GNN) into a PNM. In this framework, the analytical formulas used for conductance calculations are replaced by GNN-based predictions derived from pore and throat features. The predicted conductances are then passed to the PNM solver for permeability computation. In this way, the model avoids the idealized geometric assumptions of PNM while preserving the physics-based flow calculations. The GNN is first pretrained to regress PNM conductances from local pore and throat features, and is then fine-tuned using a single scalar permeability, avoiding the need for DNS derived pore-scale labels. This is made possible by backpropagating gradients through both the GNN (via automatic differentiation) and the PNM solver (via a discrete adjoint method), enabling fully coupled, end-to-end training. The resulting model achieves high accuracy and generalizes well across different scales, outperforming both pure data-driven and traditional PNM approaches. Gradient-based sensitivity analysis further reveals physically consistent feature influences, enhancing model interpretability. This approach offers a scalable and physically informed framework for permeability prediction in complex porous media, reducing model uncertainty and improving accuracy.