Tapan Mukerji

Ali Kashefi, Tapan Mukerji

ChatGPT is a large language model recently released by the OpenAI company. In this technical report, we explore for the first time the capability of ChatGPT for programming numerical algorithms. Specifically, we examine the capability of GhatGPT for generating codes for numerical algorithms in different programming languages, for debugging and improving written codes by users, for completing missed parts of numerical codes, rewriting available codes in other programming languages, and for parallelizing serial codes. Additionally, we assess if ChatGPT can recognize if given codes are written by humans or machines. To reach this goal, we consider a variety of mathematical problems such as the Poisson equation, the diffusion equation, the incompressible Navier-Stokes equations, compressible inviscid flow, eigenvalue problems, solving linear systems of equations, storing sparse matrices, etc. Furthermore, we exemplify scientific machine learning such as physics-informed neural networks and convolutional neural networks with applications to computational physics. Through these examples, we investigate the successes, failures, and challenges of ChatGPT. Examples of failures are producing singular matrices, operations on arrays with incompatible sizes, programming interruption for relatively long codes, etc. Our outcomes suggest that ChatGPT can successfully program numerical algorithms in different programming languages, but certain limitations and challenges exist that require further improvement of this machine learning model.

Ali Kashefi, Leonidas J. Guibas, Tapan Mukerji

Regular physics-informed neural networks (PINNs) predict the solution of partial differential equations using sparse labeled data but only over a single domain. On the other hand, fully supervised learning models are first trained usually over a few thousand domains with known solutions (i.e., labeled data) and then predict the solution over a few hundred unseen domains. Physics-informed PointNet (PIPN) is primarily designed to fill this gap between PINNs (as weakly supervised learning models) and fully supervised learning models. In this article, we demonstrate that PIPN predicts the solution of desired partial differential equations over a few hundred domains simultaneously, while it only uses sparse labeled data. This framework benefits fast geometric designs in the industry when only sparse labeled data are available. Particularly, we show that PIPN predicts the solution of a plane stress problem over more than 500 domains with different geometries, simultaneously. Moreover, we pioneer implementing the concept of remarkable batch size (i.e., the number of geometries fed into PIPN at each sub-epoch) into PIPN. Specifically, we try batch sizes of 7, 14, 19, 38, 76, and 133. Additionally, the effect of the PIPN size, symmetric function in the PIPN architecture, and static and dynamic weights for the component of the sparse labeled data in the loss function are investigated.

Jaehong Chung, Rasool Ahmad, WaiChing Sun et al.

This study presents a Graph Neural Networks (GNNs)-based approach for predicting the effective elastic moduli of rocks from their digital CT-scan images. We use the Mapper algorithm to transform 3D digital rock images into graph datasets, encapsulating essential geometrical information. These graphs, after training, prove effective in predicting elastic moduli. Our GNN model shows robust predictive capabilities across various graph sizes derived from various subcube dimensions. Not only does it perform well on the test dataset, but it also maintains high prediction accuracy for unseen rocks and unexplored subcube sizes. Comparative analysis with Convolutional Neural Networks (CNNs) reveals the superior performance of GNNs in predicting unseen rock properties. Moreover, the graph representation of microstructures significantly reduces GPU memory requirements (compared to the grid representation for CNNs), enabling greater flexibility in the batch size selection. This work demonstrates the potential of GNN models in enhancing the prediction accuracy of rock properties and boosting the efficiency of digital rock analysis.

Divakar Vashisth, Tapan Mukerji

Petrophysical inversion is an important aspect of reservoir modeling. However due to the lack of a unique and straightforward relationship between seismic traces and rock properties, predicting petrophysical properties directly from seismic data is a complex task. Many studies have attempted to identify the direct end-to-end link using supervised machine learning techniques, but face different challenges such as a lack of large petrophysical training dataset or estimates that may not conform with physics or depositional history of the rocks. We present a rock and wave physics informed neural network (RW-PINN) model that can estimate porosity directly from seismic image traces with no or limited number of wells, with predictions that are consistent with rock physics and geologic knowledge of deposition. As an example, we use the uncemented sand rock physics model and normal-incidence wave physics to guide the learning of RW-PINN to eventually get good estimates of porosities from normal-incidence seismic traces and limited well data. Training RW-PINN with few wells (weakly supervised) helps in tackling the problem of non-uniqueness as different porosity logs can give similar seismic traces. We use weighted normalized root mean square error loss function to train the weakly supervised network and demonstrate the impact of different weights on porosity predictions. The RW-PINN estimated porosities and seismic traces are compared to predictions from a completely supervised model, which gives slightly better porosity estimates but poorly matches the seismic traces, in addition to requiring a large amount of labeled training data. In this paper, we demonstrate the complete workflow for executing petrophysical inversion of seismic data using self-supervised or weakly supervised rock physics informed neural networks.

Abdulrahman Al-Fakih, A. Koeshidayatullah, Tapan Mukerji et al.

Well log analysis is crucial for hydrocarbon exploration, providing detailed insights into subsurface geological formations. However, gaps and inaccuracies in well log data, often due to equipment limitations, operational challenges, and harsh subsurface conditions, can introduce significant uncertainties in reservoir evaluation. Addressing these challenges requires effective methods for both synthetic data generation and precise imputation of missing data, ensuring data completeness and reliability. This study introduces a novel framework utilizing sequence-based generative adversarial networks (GANs) specifically designed for well log data generation and imputation. The framework integrates two distinct sequence-based GAN models: Time Series GAN (TSGAN) for generating synthetic well log data and Sequence GAN (SeqGAN) for imputing missing data. Both models were tested on a dataset from the North Sea, Netherlands region, focusing on different sections of 5, 10, and 50 data points. Experimental results demonstrate that this approach achieves superior accuracy in filling data gaps compared to other deep learning models for spatial series analysis. The method yielded R^2 values of 0.921, 0.899, and 0.594, with corresponding mean absolute percentage error (MAPE) values of 8.320, 0.005, and 151.154, and mean absolute error (MAE) values of 0.012, 0.005, and 0.032, respectively. These results set a new benchmark for data integrity and utility in geosciences, particularly in well log data analysis.

Ali Kashefi, Tapan Mukerji

Fourier neural operators (FNOs) are invariant with respect to the size of input images, and thus images with any size can be fed into FNO-based frameworks without any modification of network architectures, in contrast to traditional convolutional neural networks (CNNs). Leveraging the advantage of FNOs, we propose a novel deep-learning framework for classifying images with varying sizes. Particularly, we simultaneously train the proposed network on multi-sized images. As a practical application, we consider the problem of predicting the label (e.g., permeability) of three-dimensional digital porous media. To construct the framework, an intuitive approach is to connect FNO layers to a classifier using adaptive max pooling. First, we show that this approach is only effective for porous media with fixed sizes, whereas it fails for porous media of varying sizes. To overcome this limitation, we introduce our approach: instead of using adaptive max pooling, we use static max pooling with the size of channel width of FNO layers. Since the channel width of the FNO layers is independent of input image size, the introduced framework can handle multi-sized images during training. We show the effectiveness of the introduced framework and compare its performance with the intuitive approach through the example of the classification of three-dimensional digital porous media of varying sizes.

Ali Kashefi, Tapan Mukerji

Kolmogorov-Arnold Networks (KANs) have gained attention as an alternative to traditional multilayer perceptrons (MLPs) for deep learning applications in computational physics, particularly for solving inverse problems with sparse data, as exemplified by the physics-informed Kolmogorov-Arnold network (PIKAN). However, the capability of KANs to simultaneously solve inverse problems over multiple irregular geometries within a single training run remains unexplored. To address this gap, we introduce the physics-informed Kolmogorov-Arnold PointNet (PI-KAN-PointNet), in which shared KANs are integrated into the PointNet architecture to capture the geometric features of computational domains. The loss function comprises the squared residuals of the governing equations, computed via automatic differentiation, along with sparse observations and partially known boundary conditions. We construct shared KANs using Jacobi polynomials and investigate their performance by considering Jacobi polynomials of different degrees and types in terms of both computational cost and prediction accuracy. As a benchmark test case, we consider natural convection in a square enclosure with a cylinder, where the cylinder's shape varies across a dataset of 135 geometries. PI-KAN-PointNet offers two main advantages. First, it overcomes the limitation of current PIKANs, which are restricted to solving only a single computational domain per training run, thereby reducing computational costs. Second, when comparing the performance of PI-KAN-PointNet with that of the physics-informed PointNet using MLPs, we observe that, with approximately the same number of trainable parameters and comparable computational cost in terms of the number of epochs, training time per epoch, and memory usage, PI-KAN-PointNet yields more accurate predictions, particularly for values on unknown boundary conditions involving nonsmooth geometries.

Abdulrahman Al-Fakih, A. Koeshidayatullah, Tapan Mukerji et al.

Although generative adversarial networks (GANs) have shown significant success in modeling data distributions for image datasets, their application to structured or tabular data, such as well logs, remains relatively underexplored. This study extends the ensemble GANs (EGANs) framework to capture the distribution of well log data and detect anomalies that fall outside of these distributions. The proposed approach compares the performance of traditional methods, such as Gaussian mixture models (GMMs), with EGANs in detecting anomalies outside the expected data distributions. For the gamma ray (GR) dataset, EGANs achieved a precision of 0.62 and F1 score of 0.76, outperforming GMM's precision of 0.38 and F1 score of 0.54. Similarly, for travel time (DT), EGANs achieved a precision of 0.70 and F1 score of 0.79, surpassing GMM 0.56 and 0.71. In the neutron porosity (NPHI) dataset, EGANs recorded a precision of 0.53 and F1 score of 0.68, outshining GMM 0.47 and 0.61. For the bulk density (RHOB) dataset, EGANs achieved a precision of 0.52 and an F1 score of 0.67, slightly outperforming GMM, which yielded a precision of 0.50 and an F1 score of 0.65. This work's novelty lies in applying EGANs for well log data analysis, showcasing their ability to learn data patterns and identify anomalies that deviate from them. This approach offers more reliable anomaly detection compared to traditional methods like GMM. The findings highlight the potential of EGANs in enhancing anomaly detection for well log data, delivering significant implications for optimizing drilling strategies and reservoir management through more accurate, data-driven insights into subsurface characterization.

Jaehong Chung, Michael Manga, Timothy Kneafsey et al.

Microearthquakes (MEQs) generated by subsurface fluid injection record the evolving stress state and permeability of reservoirs. Forecasting their full spatiotemporal evolution is therefore critical for applications such as enhanced geothermal systems (EGS), CO$_2$ sequestration and other geo-engineering applications. We present a transformer-based deep learning model that ingests hydraulic stimulation history and prior MEQ observations to forecast four key quantities: cumulative MEQ count, cumulative logarithmic seismic moment, and the 50th- and 95th-percentile extents ($P_{50}, P_{95}$) of the MEQ cloud. Applied to the EGS Collab Experiment 1 dataset, the model achieves $R^2 >0.98$ for the 1-second forecast horizon and $R^2 >0.88$ for the 15-second forecast horizon across all targets, and supplies uncertainty estimates through a learned standard deviation term. These accurate, uncertainty-quantified forecasts enable real-time inference of fracture propagation and permeability evolution, demonstrating the strong potential of deep-learning approaches to improve seismic-risk assessment and guide mitigation strategies in future fluid-injection operations.

Ali Kashefi, Tapan Mukerji

Vision Mamba has recently received attention as an alternative to Vision Transformers (ViTs) for image classification. The network size of Vision Mamba scales linearly with input image resolution, whereas ViTs scale quadratically, a feature that improves computational and memory efficiency. Moreover, Vision Mamba requires a significantly smaller number of trainable parameters than traditional convolutional neural networks (CNNs), and thus, they can be more memory efficient. Because of these features, we introduce, for the first time, a neural network that uses Vision Mamba as its backbone for predicting the permeability of three-dimensional porous media. We compare the performance of Vision Mamba with ViT and CNN models across multiple aspects of permeability prediction and perform an ablation study to assess the effects of its components on accuracy. We demonstrate in practice the aforementioned advantages of Vision Mamba over ViTs and CNNs in the permeability prediction of three-dimensional porous media. We make the source code publicly available to facilitate reproducibility and to enable other researchers to build on and extend this work. We believe the proposed framework has the potential to be integrated into large vision models in which Vision Mamba is used instead of ViTs.

Abdulrahman Al-Fakih, Ardiansyah Koeshidayatullah, Nabil A. Saraih et al.

Accurate geological modeling is critical for reservoir characterization, yet traditional methods struggle with complex subsurface heterogeneity, and they have problems with conditioning to observed data. This study introduces Pix2Geomodel, a novel conditional generative adversarial network (cGAN) framework based on Pix2Pix, designed to predict reservoir properties (facies, porosity, permeability, and water saturation) from the Rotliegend reservoir of the Groningen gas field. Utilizing a 7.6 million-cell dataset from the Nederlandse Aardolie Maatschappij, accessed via EPOS-NL, the methodology included data preprocessing, augmentation to generate 2,350 images per property, and training with a U-Net generator and PatchGAN discriminator over 19,000 steps. Evaluation metrics include pixel accuracy (PA), mean intersection over union (mIoU), frequency weighted intersection over union (FWIoU), and visualizations assessed performance in masked property prediction and property-to-property translation tasks. Results demonstrated high accuracy for facies (PA 0.88, FWIoU 0.85) and water saturation (PA 0.96, FWIoU 0.95), with moderate success for porosity (PA 0.70, FWIoU 0.55) and permeability (PA 0.74, FWIoU 0.60), and robust translation performance (e.g., facies-to-facies PA 0.98, FWIoU 0.97). The framework captured spatial variability and geological realism, as validated by variogram analysis, and calculated the training loss curves for the generator and discriminator for each property. Compared to traditional methods, Pix2Geomodel offers enhanced fidelity in direct property mapping. Limitations include challenges with microstructural variability and 2D constraints, suggesting future integration of multi-modal data and 3D modeling (Pix2Geomodel v2.0). This study advances the application of generative AI in geoscience, supporting improved reservoir management and open science initiatives.

Jaehong Chung, Wei Cai, Tapan Mukerji

This study proposes a systematic image registration approach to align 2D optical thin-section images within a 3D digital rock volume. Using template image matching with differential evolution optimization, we identify the most similar 2D plane in 3D. The method is validated on a synthetic porous medium, achieving exact registration, and applied to Berea sandstone, where it achieves a structural similarity index (SSIM) of 0.990. With the registered images, we explore upscaling properties based on paired multimodal images, focusing on pore characteristics and effective elastic moduli. The thin-section image reveals 50 % more porosity and submicron pores than the registered CT plane. In addition, bulk and shear moduli from thin sections are 25 % and 30 % lower, respectively, than those derived from CT images. Beyond numerical comparisons, thin sections provide additional geological insights, including cementation, mineral phases, and weathering effects, which are not clear in CT images. This study demonstrates the potential of multimodal image registration to improve computed rock properties in digital rock physics by integrating complementary imaging modalities.

Divakar Vashisth, Rohan Sharma, Tejas Ganesh Iyer et al.

Seismic inversion-including post-stack, pre-stack, and full waveform inversion is compute and memory-intensive. Recently, several approaches, including physics-informed machine learning, have been developed to address some of these limitations. Motivated by the potential of quantum computing, we report on our attempt to map one such classical physics-informed algorithm to a quantum framework. The primary goal is to investigate the technical challenges of this mapping, given that quantum algorithms rely on computing principles fundamentally different from those in classical computing. Quantum computers operate using qubits, which exploit superposition and entanglement, offering the potential to solve classically intractable problems. While current quantum hardware is limited, hybrid quantum-classical algorithms-particularly in quantum machine learning (QML)-demonstrate potential for near-term applications and can be readily simulated. We apply QML to subsurface imaging through the development of a hybrid quantum physics-informed neural network (HQ-PINN) for post-stack and pre-stack seismic inversion. The HQ-PINN architecture adopts an encoder-decoder structure: a hybrid quantum neural network encoder estimates P- and S-impedances from seismic data, while the decoder reconstructs seismic responses using geophysical relationships. Training is guided by minimizing the misfit between the input and reconstructed seismic traces. We systematically assess the impact of quantum layer design, differentiation strategies, and simulator backends on inversion performance. We demonstrate the efficacy of our approach through the inversion of both synthetic and the Sleipner field datasets. The HQ-PINN framework consistently yields accurate results, showcasing quantum computing's promise for geosciences and paving the way for future quantum-enhanced geophysical workflows.

Ali Kashefi, Tapan Mukerji

We propose a novel deep learning framework for predicting permeability of porous media from their digital images. Unlike convolutional neural networks, instead of feeding the whole image volume as inputs to the network, we model the boundary between solid matrix and pore spaces as point clouds and feed them as inputs to a neural network based on the PointNet architecture. This approach overcomes the challenge of memory restriction of graphics processing units and its consequences on the choice of batch size, and convergence. Compared to convolutional neural networks, the proposed deep learning methodology provides freedom to select larger batch sizes, due to reducing significantly the size of network inputs. Specifically, we use the classification branch of PointNet and adjust it for a regression task. As a test case, two and three dimensional synthetic digital rock images are considered. We investigate the effect of different components of our neural network on its performance. We compare our deep learning strategy with a convolutional neural network from various perspectives, specifically for maximum possible batch size. We inspect the generalizability of our network by predicting the permeability of real-world rock samples as well as synthetic digital rocks that are statistically different from the samples used during training. The network predicts the permeability of digital rocks a few thousand times faster than a Lattice Boltzmann solver with a high level of prediction accuracy.

John Mern, Anil Yildiz, Larry Bush et al.

Online solvers for partially observable Markov decision processes have difficulty scaling to problems with large action spaces. This paper proposes a method called PA-POMCPOW to sample a subset of the action space that provides varying mixtures of exploitation and exploration for inclusion in a search tree. The proposed method first evaluates the action space according to a score function that is a linear combination of expected reward and expected information gain. The actions with the highest score are then added to the search tree during tree expansion. Experiments show that PA-POMCPOW is able to outperform existing state-of-the-art solvers on problems with large discrete action spaces.

John Mern, Anil Yildiz, Zachary Sunberg et al.

Online solvers for partially observable Markov decision processes have difficulty scaling to problems with large action spaces. Monte Carlo tree search with progressive widening attempts to improve scaling by sampling from the action space to construct a policy search tree. The performance of progressive widening search is dependent upon the action sampling policy, often requiring problem-specific samplers. In this work, we present a general method for efficient action sampling based on Bayesian optimization. The proposed method uses a Gaussian process to model a belief over the action-value function and selects the action that will maximize the expected improvement in the optimal action value. We implement the proposed approach in a new online tree search algorithm called Bayesian Optimized Monte Carlo Planning (BOMCP). Several experiments show that BOMCP is better able to scale to large action space POMDPs than existing state-of-the-art tree search solvers.

Rayan Kanfar, Obai Shaikh, Mehrdad Yousefzadeh et al.

The objective is to study the feasibility of predicting subsurface rock properties in wells from real-time drilling data. Geophysical logs, namely, density, porosity and sonic logs are of paramount importance for subsurface resource estimation and exploitation. These wireline petro-physical measurements are selectively deployed as they are expensive to acquire; meanwhile, drilling information is recorded in every drilled well. Hence a predictive tool for wireline log prediction from drilling data can help management make decisions about data acquisition, especially for delineation and production wells. This problem is non-linear with strong ineractions between drilling parameters; hence the potential for deep learning to address this problem is explored. We present a workflow for data augmentation and feature engineering using Distance-based Global Sensitivity Analysis. We propose an Inception-based Convolutional Neural Network combined with a Temporal Convolutional Network as the deep learning model. The model is designed to learn both low and high frequency content of the data. 12 wells from the Equinor dataset for the Volve field in the North Sea are used for learning. The model predictions not only capture trends but are also physically consistent across density, porosity, and sonic logs. On the test data, the mean square error reaches a low value of 0.04 but the correlation coefficient plateaus around 0.6. The model is able however to differentiate between different types of rocks such as cemented sandstone, unconsolidated sands, and shale.

Anshuman Pradhan, Tapan Mukerji

We present a framework that enables estimation of low-dimensional sub-resolution reservoir properties directly from seismic data, without requiring the solution of a high dimensional seismic inverse problem. Our workflow is based on the Bayesian evidential learning approach and exploits learning the direct relation between seismic data and reservoir properties to efficiently estimate reservoir properties. The theoretical framework we develop allows incorporation of non-linear statistical models for seismic estimation problems. Uncertainty quantification is performed with Approximate Bayesian Computation. With the help of a synthetic example of estimation of reservoir net-to-gross and average fluid saturations in sub-resolution thin-sand reservoir, several nuances are foregrounded regarding the applicability of unsupervised and supervised learning methods for seismic estimation problems. Finally, we demonstrate the efficacy of our approach by estimating posterior uncertainty of reservoir net-to-gross in sub-resolution thin-sand reservoir from an offshore delta dataset using 3D pre-stack seismic data.