Mohammed Al Kobaisi

Mohammed Al Kobaisi, Dmitry Ammosov, Yalchin Efendiev et al.

We develop a multicontinuum Generalized Multiscale Finite Element Method (MC-GMsFEM) for constructing coarse-scale models in heterogeneous media that simultaneously provide accurate numerical approximations and physically consistent macroscopic equations. Classical multiscale methods efficiently approximate fine-scale solutions on coarse grids using localized basis functions, but they do not offer a systematic pathway for deriving macroscopic governing equations. To overcome this limitation, we introduce a unified framework that integrates multiscale finite element constructions with multicontinuum representations. The proposed method builds on the structure of GMsFEM and exploits a representation of multiscale basis functions that separates coarse variables and their gradients. We construct continuum-dependent basis functions using auxiliary fields defined through local problems with integral constraints, ensuring that each basis function is associated with a specific continuum. This leads to a decomposition of the coarse-scale solution into continuum variables and their gradients, establishing a direct connection between multiscale discretizations and multicontinuum homogenization. Compared to existing multicontinuum approaches, the proposed framework provides greater flexibility in handling heterogeneous media with spatially varying numbers of continua and is naturally embedded within a standard finite element setting. This enables both systematic derivation of macroscopic equations and straightforward numerical implementation. We apply the proposed method to the upscaling of two-phase immiscible flow in heterogeneous porous media, where multiple interacting continua, including mobile and trapped phases, arise. With the proposed approaches, we derive new macroscopic models and show that if classical models are used, the errors can be large.

Waleed Diab, Omar Chaabi, Shayma Alkobaisi et al.

Traditional numerical schemes for simulating fluid flow and transport in porous media can be computationally expensive. Advances in machine learning for scientific computing have the potential to help speed up the simulation time in many scientific and engineering fields. DeepONet has recently emerged as a powerful tool for accelerating the solution of partial differential equations (PDEs) by learning operators (mapping between function spaces) of PDEs. In this work, we learn the mapping between the space of flux functions of the Buckley-Leverett PDE and the space of solutions (saturations). We use Physics-Informed DeepONets (PI-DeepONets) to achieve this mapping without any paired input-output observations, except for a set of given initial or boundary conditions; ergo, eliminating the expensive data generation process. By leveraging the underlying physical laws via soft penalty constraints during model training, in a manner similar to Physics-Informed Neural Networks (PINNs), and a unique deep neural network architecture, the proposed PI-DeepONet model can predict the solution accurately given any type of flux function (concave, convex, or non-convex) while achieving up to four orders of magnitude improvements in speed over traditional numerical solvers. Moreover, the trained PI-DeepONet model demonstrates excellent generalization qualities, rendering it a promising tool for accelerating the solution of transport problems in porous media.

Djulustan Nikiforov, Leonardo A. Poveda, Dmitry Ammosov et al.

In this work, we extend the meshfree generalized multiscale exponential integration framework introduced in Nikiforov et al. (2025) to the simulation of three-dimensional advection--diffusion problems in heterogeneous and high-contrast media. The proposed approach combines meshfree generalized multiscale finite element methods (GMsFEM) for spatial discretization with exponential integration techniques for time advancement, enabling stable and efficient computations in the presence of stiffness induced by multiscale coefficients and transport effects. We introduce new constructions of multiscale basis functions that incorporate advection either at the snapshot level or within the local spectral problems, improving the approximation properties of the coarse space in advection-dominated regimes. The extension to three-dimensional settings poses additional computational and methodological challenges, including increased complexity in basis construction, higher-dimensional coarse representations, and stronger stiffness effects, which we address within the proposed framework. A series of numerical experiments in three-dimensional domains demonstrates the viability of the method, showing that it preserves accuracy while allowing for significantly larger time steps compared to standard time discretizations. The results highlight the robustness and efficiency of the proposed approach for large-scale multiscale simulations in complex heterogeneous media.

Mohammed Al Kobaisi, Wenjuan Zhang, Waleed Diab et al.

In the past three decades, a wide array of computational methodologies and simulation frameworks has emerged to address the complexities of modeling multi-phase flow and transport processes in fractured porous media. The conformal mesh approaches which explicitly align the computational grid with fracture surfaces are considered by many to be the most accurate. However, such methods require excessive fine-scale meshing, rendering them impractical for large or complex fracture networks. In this work, we propose to learn the complex multi-phase flow and transport dynamics in fractured porous media with graph neural networks (GNN). GNNs are well suited for this task due to the unstructured topology of the computation grid resulting from the Embedded Discrete Fracture Model (EDFM) discretization. We propose two deep learning architectures, a GNN and a recurrent GNN. Both networks follow a two-stage training strategy: an autoregressive one step roll-out, followed by a fine-tuning step where the model is supervised using the whole ground-truth sequence. We demonstrate that the two-stage training approach is effective in mitigating error accumulation during autoregressive model rollouts in the testing phase. Our findings indicate that both GNNs generalize well to unseen fracture realizations, with comparable performance in forecasting saturation sequences, and slightly better performance for the recurrent GNN in predicting pressure sequences. While the second stage of training proved to be beneficial for the GNN model, its impact on the recurrent GNN model was less pronounced. Finally, the performance of both GNNs for temporal extrapolation is tested. The recurrent GNN significantly outperformed the GNN in terms of accuracy, thereby underscoring its superior capability in predicting long sequences.

Waleed Diab, Mohammed Al Kobaisi

The displacement of two immiscible fluids is a common problem in fluid flow in porous media. Such a problem can be posed as a partial differential equation (PDE) in what is commonly referred to as a Buckley-Leverett (B-L) problem. The B-L problem is a non-linear hyperbolic conservation law that is known to be notoriously difficult to solve using traditional numerical methods. Here, we address the forward hyperbolic B-L problem with a nonconvex flux function using physics-informed neural networks (PINNs). The contributions of this paper are twofold. First, we present a PINN approach to solve the hyperbolic B-L problem by embedding the Oleinik entropy condition into the neural network residual. We do not use a diffusion term (artificial viscosity) in the residual-loss, but we rely on the strong form of the PDE. Second, we use the Adam optimizer with residual-based adaptive refinement (RAR) algorithm to achieve an ultra-low loss without weighting. Our solution method can accurately capture the shock-front and produce an accurate overall solution. We report a L2 validation error of 2 x 10-2 and a L2 loss of 1x 10-6. The proposed method does not require any additional regularization or weighting of losses to obtain such accurate solution.