Xin Ju

Xin Ju, Nok Hei, Fung et al.

The Earth's subsurface is a cornerstone of modern society, providing essential energy resources like hydrocarbons, geothermal, and minerals while serving as the primary reservoir for $CO_2$ sequestration. However, full physics numerical simulations of these systems are notoriously computationally expensive due to geological heterogeneity, high resolution requirements, and the tight coupling of physical processes with distinct propagation time scales. Here we propose the $\textbf{Adaptive Physics Transformer}$ (APT), a geometry-, mesh-, and physics-agnostic neural operator that explicitly addresses these challenges. APT fuses a graph-based encoder to extract high-resolution local heterogeneous features with a global attention mechanism to resolve long-range physical impacts. Our results demonstrate that APT outperforms state-of-the-art architectures in subsurface tasks across both regular and irregular grids with robust super-resolution capabilities. Notably, APT is the first architecture that learns directly from HR-adaptive mesh refinement simulations. We also demonstrate APT's favorable scaling behavior and cross-dataset learning capability, positioning it as a robust and scalable backbone for large-scale subsurface foundation model development.

Xin Ju, François P. Hamon, Gege Wen et al.

Deep-learning-based surrogate models provide an efficient complement to numerical simulations for subsurface flow problems such as CO$_2$ geological storage. Accurately capturing the impact of faults on CO$_2$ plume migration remains a challenge for many existing deep learning surrogate models based on Convolutional Neural Networks (CNNs) or Neural Operators. We address this challenge with a graph-based neural model leveraging recent developments in the field of Graph Neural Networks (GNNs). Our model combines graph-based convolution Long-Short-Term-Memory (GConvLSTM) with a one-step GNN model, MeshGraphNet (MGN), to operate on complex unstructured meshes and limit temporal error accumulation. We demonstrate that our approach can accurately predict the temporal evolution of gas saturation and pore pressure in a synthetic reservoir with impermeable faults. Our results exhibit a better accuracy and a reduced temporal error accumulation compared to the standard MGN model. We also show the excellent generalizability of our algorithm to mesh configurations, boundary conditions, and heterogeneous permeability fields not included in the training set. This work highlights the potential of GNN-based methods to accurately and rapidly model subsurface flow with complex faults and fractures.

Xin Ju, Jiachen Yao, Anima Anandkumar et al.

Accurate characterization of subsurface flow is critical for Carbon Capture and Storage (CCS) but remains challenged by the ill-posed nature of inverse problems with sparse observations. We present Function-space Decoupled Diffusion Posterior Sampling (Fun-DDPS), a generative framework that combines function-space diffusion models with differentiable neural operator surrogates for both forward and inverse modeling. Our approach learns a prior distribution over geological parameters (geomodel) using a single-channel diffusion model, then leverages a Local Neural Operator (LNO) surrogate to provide physics-consistent guidance for cross-field conditioning on the dynamics field. This decoupling allows the diffusion prior to robustly recover missing information in parameter space, while the surrogate provides efficient gradient-based guidance for data assimilation. We demonstrate Fun-DDPS on synthetic CCS modeling datasets, achieving two key results: (1) For forward modeling with only 25% observations, Fun-DDPS achieves 7.7% relative error compared to 86.9% for standard surrogates (an 11x improvement), proving its capability to handle extreme data sparsity where deterministic methods fail. (2) We provide the first rigorous validation of diffusion-based inverse solvers against asymptotically exact Rejection Sampling (RS) posteriors. Both Fun-DDPS and the joint-state baseline (Fun-DPS) achieve Jensen-Shannon divergence less than 0.06 against the ground truth. Crucially, Fun-DDPS produces physically consistent realizations free from the high-frequency artifacts observed in joint-state baselines, achieving this with 4x improved sample efficiency compared to rejection sampling.

Chunyang Wang, Linqi Zhu, Yuxuan Gu et al.

Multiphase flow in porous media underpins subsurface energy and environmental technologies, including geological CO$_2$ storage and underground hydrogen storage, yet pore-scale dynamics in realistic three-dimensional materials remain difficult to characterize and predict. Here we introduce a multimodal learning framework that infers multiphase pore-scale flow directly from time-resolved four-dimensional (4D) micro-velocimetry measurements. The model couples a graph network simulator for Lagrangian tracer-particle motion with a 3D U-Net for voxelized interface evolution. The imaged pore geometry serves as a boundary constraint to the flow velocity and the multiphase interface predictions, which are coupled and updated iteratively at each time step. Trained autoregressively on experimental sequences in capillary-dominated conditions ($Ca\approx10^{-6}$), the learned surrogate captures transient, nonlocal flow perturbations and abrupt interface rearrangements (Haines jumps) over rollouts spanning seconds of physical time, while reducing hour-to-day--scale direct numerical simulations to seconds of inference. By providing rapid, experimentally informed predictions, the framework opens a route to ''digital experiments'' to replicate pore-scale physics observed in multiphase flow experiments, offering an efficient tool for exploring injection conditions and pore-geometry effects relevant to subsurface carbon and hydrogen storage.

Hewei Tang, Pengcheng Fu, Christopher S. Sherman et al.

Fast assimilation of monitoring data to update forecasts of pressure buildup and carbon dioxide (CO2) plume migration under geologic uncertainties is a challenging problem in geologic carbon storage. The high computational cost of data assimilation with a high-dimensional parameter space impedes fast decision-making for commercial-scale reservoir management. We propose to leverage physical understandings of porous medium flow behavior with deep learning techniques to develop a fast history matching-reservoir response forecasting workflow. Applying an Ensemble Smoother Multiple Data Assimilation framework, the workflow updates geologic properties and predicts reservoir performance with quantified uncertainty from pressure history and CO2 plumes interpreted through seismic inversion. As the most computationally expensive component in such a workflow is reservoir simulation, we developed surrogate models to predict dynamic pressure and CO2 plume extents under multi-well injection. The surrogate models employ deep convolutional neural networks, specifically, a wide residual network and a residual U-Net. The workflow is validated against a flat three-dimensional reservoir model representative of a clastic shelf depositional environment. Intelligent treatments are applied to bridge between quantities in a true-3D reservoir model and those in a single-layer reservoir model. The workflow can complete history matching and reservoir forecasting with uncertainty quantification in less than one hour on a mainstream personal workstation.

Meng Tang, Xin Ju, Louis J. Durlofsky

A deep-learning-based surrogate model capable of predicting flow and geomechanical responses in CO2 storage operations is presented and applied. The 3D recurrent R-U-Net model combines deep convolutional and recurrent neural networks to capture the spatial distribution and temporal evolution of saturation, pressure and surface displacement fields. The method is trained using high-fidelity simulation results for 2000 storage-aquifer realizations characterized by multi-Gaussian porosity and log-permeability fields. These numerical solutions are expensive because the domain that must be considered for the coupled problem includes not only the storage aquifer but also a surrounding region, overburden and bedrock. The surrogate model is trained to predict the 3D CO2 saturation and pressure fields in the storage aquifer, and 2D displacement maps at the Earth's surface. Detailed comparisons between surrogate model and full-order simulation results for new (test-case) storage-aquifer realizations are presented. The saturation, pressure and surface displacement fields provided by the surrogate model display a high degree of accuracy, both for individual test-case realizations and for ensemble statistics. Finally, the the recurrent R-U-Net surrogate model is applied with a rejection sampling procedure for data assimilation. Although the observations consist of only a small number of surface displacement measurements, significant uncertainty reduction in pressure buildup at the top of the storage aquifer (caprock) is achieved.