Felix J. Herrmann

Mathias Louboutin, Ziyi Yin, Rafael Orozco et al.

We present the Seismic Laboratory for Imaging and Modeling/Monitoring (SLIM) open-source software framework for computational geophysics and, more generally, inverse problems involving the wave-equation (e.g., seismic and medical ultrasound), regularization with learned priors, and learned neural surrogates for multiphase flow simulations. By integrating multiple layers of abstraction, our software is designed to be both readable and scalable. This allows researchers to easily formulate their problems in an abstract fashion while exploiting the latest developments in high-performance computing. We illustrate and demonstrate our design principles and their benefits by means of building a scalable prototype for permeability inversion from time-lapse crosswell seismic data, which aside from coupling of wave physics and multiphase flow, involves machine learning.

Thomas J. Grady, Rishi Khan, Mathias Louboutin et al.

Fourier neural operators (FNOs) are a recently introduced neural network architecture for learning solution operators of partial differential equations (PDEs), which have been shown to perform significantly better than comparable deep learning approaches. Once trained, FNOs can achieve speed-ups of multiple orders of magnitude over conventional numerical PDE solvers. However, due to the high dimensionality of their input data and network weights, FNOs have so far only been applied to two-dimensional or small three-dimensional problems. To remove this limited problem-size barrier, we propose a model-parallel version of FNOs based on domain-decomposition of both the input data and network weights. We demonstrate that our model-parallel FNO is able to predict time-varying PDE solutions of over 2.6 billion variables on Perlmutter using up to 512 A100 GPUs and show an example of training a distributed FNO on the Azure cloud for simulating multiphase CO$_2$ dynamics in the Earth's subsurface.

Ali Siahkoohi, Gabrio Rizzuti, Rafael Orozco et al.

Bayesian inference for high-dimensional inverse problems is computationally costly and requires selecting a suitable prior distribution. Amortized variational inference addresses these challenges via a neural network that approximates the posterior distribution not only for one instance of data, but a distribution of data pertaining to a specific inverse problem. During inference, the neural network -- in our case a conditional normalizing flow -- provides posterior samples at virtually no cost. However, the accuracy of amortized variational inference relies on the availability of high-fidelity training data, which seldom exists in geophysical inverse problems due to the Earth's heterogeneity. In addition, the network is prone to errors if evaluated over out-of-distribution data. As such, we propose to increase the resilience of amortized variational inference in the presence of moderate data distribution shifts. We achieve this via a correction to the latent distribution that improves the posterior distribution approximation for the data at hand. The correction involves relaxing the standard Gaussian assumption on the latent distribution and parameterizing it via a Gaussian distribution with an unknown mean and (diagonal) covariance. These unknowns are then estimated by minimizing the Kullback-Leibler divergence between the corrected and the (physics-based) true posterior distributions. While generic and applicable to other inverse problems, by means of a linearized seismic imaging example, we show that our correction step improves the robustness of amortized variational inference with respect to changes in the number of seismic sources, noise variance, and shifts in the prior distribution. This approach provides a seismic image with limited artifacts and an assessment of its uncertainty at approximately the same cost as five reverse-time migrations.

Ziyi Yin, Ali Siahkoohi, Mathias Louboutin et al.

Seismic monitoring of carbon storage sequestration is a challenging problem involving both fluid-flow physics and wave physics. Additionally, monitoring usually requires the solvers for these physics to be coupled and differentiable to effectively invert for the subsurface properties of interest. To drastically reduce the computational cost, we introduce a learned coupled inversion framework based on the wave modeling operator, rock property conversion and a proxy fluid-flow simulator. We show that we can accurately use a Fourier neural operator as a proxy for the fluid-flow simulator for a fraction of the computational cost. We demonstrate the efficacy of our proposed method by means of a synthetic experiment. Finally, our framework is extended to carbon sequestration forecasting, where we effectively use the surrogate Fourier neural operator to forecast the CO2 plume in the future at near-zero additional cost.

Ziyi Yin, Rafael Orozco, Mathias Louboutin et al.

Solving multiphysics-based inverse problems for geological carbon storage monitoring can be challenging when multimodal time-lapse data are expensive to collect and costly to simulate numerically. We overcome these challenges by combining computationally cheap learned surrogates with learned constraints. Not only does this combination lead to vastly improved inversions for the important fluid-flow property, permeability, it also provides a natural platform for inverting multimodal data including well measurements and active-source time-lapse seismic data. By adding a learned constraint, we arrive at a computationally feasible inversion approach that remains accurate. This is accomplished by including a trained deep neural network, known as a normalizing flow, which forces the model iterates to remain in-distribution, thereby safeguarding the accuracy of trained Fourier neural operators that act as surrogates for the computationally expensive multiphase flow simulations involving partial differential equation solves. By means of carefully selected experiments, centered around the problem of geological carbon storage, we demonstrate the efficacy of the proposed constrained optimization method on two different data modalities, namely time-lapse well and time-lapse seismic data. While permeability inversions from both these two modalities have their pluses and minuses, their joint inversion benefits from either, yielding valuable superior permeability inversions and CO2 plume predictions near, and far away, from the monitoring wells.

Curt Da Silva, Felix J. Herrmann

Large scale parameter estimation problems are among some of the most computationally demanding problems in numerical analysis. An academic researcher's domain-specific knowledge often precludes that of software design, which results in inversion frameworks that are technically correct, but not scalable to realistically-sized problems. On the other hand, the computational demands for realistic problems result in industrial codebases that are geared solely for high performance, rather than comprehensibility or flexibility. We propose a new software design for inverse problems constrained by partial differential equations that bridges the gap between these two seemingly disparate worlds. A hierarchical and modular design allows a user to delve into as much detail as she desires, while exploiting high performance primitives at the lower levels. Our code has the added benefit of actually reflecting the underlying mathematics of the problem, which lowers the cognitive load on user using it and reduces the initial startup period before a researcher can be fully productive. We also introduce a new preconditioner for the 3D Helmholtz equation that is suitable for fault-tolerant distributed systems. Numerical experiments on a variety of 2D and 3D test problems demonstrate the effectiveness of this approach on scaling algorithms from small to large scale problems with minimal code changes.

Ziyi Yin, Huseyin Tuna Erdinc, Abhinav Prakash Gahlot et al.

Geological carbon storage represents one of the few truly scalable technologies capable of reducing the CO2 concentration in the atmosphere. While this technology has the potential to scale, its success hinges on our ability to mitigate its risks. An important aspect of risk mitigation concerns assurances that the injected CO2 remains within the storage complex. Amongst the different monitoring modalities, seismic imaging stands out with its ability to attain high resolution and high fidelity images. However, these superior features come, unfortunately, at prohibitive costs and time-intensive efforts potentially rendering extensive seismic monitoring undesirable. To overcome this shortcoming, we present a methodology where time-lapse images are created by inverting non-replicated time-lapse monitoring data jointly. By no longer insisting on replication of the surveys to obtain high fidelity time-lapse images and differences, extreme costs and time-consuming labor are averted. To demonstrate our approach, hundreds of noisy time-lapse seismic datasets are simulated that contain imprints of regular CO2 plumes and irregular plumes that leak. These time-lapse datasets are subsequently inverted to produce time-lapse difference images used to train a deep neural classifier. The testing results show that the classifier is capable of detecting CO2 leakage automatically on unseen data and with a reasonable accuracy.

Huseyin Tuna Erdinc, Abhinav Prakash Gahlot, Ziyi Yin et al.

With the growing global deployment of carbon capture and sequestration technology to combat climate change, monitoring and detection of potential CO2 leakage through existing or storage induced faults are critical to the safe and long-term viability of the technology. Recent work on time-lapse seismic monitoring of CO2 storage has shown promising results in its ability to monitor the growth of the CO2 plume from surface recorded seismic data. However, due to the low sensitivity of seismic imaging to CO2 concentration, additional developments are required to efficiently interpret the seismic images for leakage. In this work, we introduce a binary classification of time-lapse seismic images to delineate CO2 plumes (leakage) using state-of-the-art deep learning models. Additionally, we localize the leakage region of CO2 plumes by leveraging Class Activation Mapping methods.

Ali Siahkoohi, Mathias Louboutin, Felix J. Herrmann

Seismic imaging is an ill-posed inverse problem that is challenged by noisy data and modeling inaccuracies -- due to errors in the background squared-slowness model. Uncertainty quantification is essential for determining how variability in the background models affects seismic imaging. Due to the costs associated with the forward Born modeling operator as well as the high dimensionality of seismic images, quantification of uncertainty is computationally expensive. As such, the main contribution of this work is a survey-specific Fourier neural operator surrogate to velocity continuation that maps seismic images associated with one background model to another virtually for free. While being trained with only 200 background and seismic image pairs, this surrogate is able to accurately predict seismic images associated with new background models, thus accelerating seismic imaging uncertainty quantification. We support our method with a realistic data example in which we quantify seismic imaging uncertainties using a Fourier neural operator surrogate, illustrating how variations in background models affect the position of reflectors in a seismic image.

Huseyin Tuna Erdinc, Ipsita Bhar, Rafael Orozco et al.

Recent advances in generative networks have enabled new approaches to subsurface velocity model synthesis, offering a compelling alternative to traditional methods such as Full Waveform Inversion. However, these approaches predominantly rely on the availability of large-scale datasets of high-quality, geologically realistic subsurface velocity models, which are often difficult to obtain in practice. We introduce SAGE, a novel framework for statistically consistent proxy velocity generation from incomplete observations, specifically sparse well logs and migrated seismic images. During training, SAGE learns a proxy posterior over velocity models conditioned on both modalities (wells and seismic); at inference, it produces full-resolution velocity fields conditioned solely on migrated images, with well information implicitly encoded in the learned distribution. This enables the generation of geologically plausible and statistically accurate velocity realizations. We validate SAGE on both synthetic and field datasets, demonstrating its ability to capture complex subsurface variability under limited observational constraints. Furthermore, samples drawn from the learned proxy distribution can be leveraged to train downstream networks, supporting inversion workflows. Overall, SAGE provides a scalable and data-efficient pathway toward learning geological proxy posterior for seismic imaging and inversion. Repo link: https://github.com/slimgroup/SAGE.

Rafael Orozco, Mathias Louboutin, Felix J. Herrmann

Photoacoustic imaging (PAI) can image high-resolution structures of clinical interest such as vascularity in cancerous tumor monitoring. When imaging human subjects, geometric restrictions force limited-view data retrieval causing imaging artifacts. Iterative physical model based approaches reduce artifacts but require prohibitively time consuming PDE solves. Machine learning (ML) has accelerated PAI by combining physical models and learned networks. However, the depth and overall power of ML methods is limited by memory intensive training. We propose using invertible neural networks (INNs) to alleviate memory pressure. We demonstrate INNs can image 3D photoacoustic volumes in the setting of limited-view, noisy, and subsampled data. The frugal constant memory usage of INNs enables us to train an arbitrary depth of learned layers on a consumer GPU with 16GB RAM.

Bas Peters, Felix J. Herrmann

Many works on inverse problems in the imaging sciences consider regularization via one or more penalty functions or constraint sets. When the models/images are not easily described using one or a few penalty functions/constraints, additive model descriptions for regularization lead to better imaging results. These include cartoon-texture decomposition, morphological component analysis, and robust principal component analysis; methods that typically rely on penalty functions. We propose a regularization framework, based on the Minkowski set, that merges the strengths of additive models and constrained formulations. We generalize the Minkowski set, such that the model parameters are the sum of two components, each of which is constrained to an intersection of sets. Furthermore, the sum of the components is also an element of another intersection of sets. These generalizations allow us to include multiple pieces of prior knowledge on each of the components, as well as on the sum of components, which is necessary to ensure physical feasibility of partial-differential-equation based parameters estimation problems. We derive the projection operation onto the generalized Minkowski sets and construct an algorithm based on the alternating direction method of multipliers. We illustrate how we benefit from using more prior knowledge in the form of the generalized Minkowski set using seismic waveform inversion and video background-anomaly separation.

Abhinav Prakash Gahlot, Huseyin Tuna Erdinc, Rafael Orozco et al.

As the global deployment of carbon capture and sequestration (CCS) technology intensifies in the fight against climate change, it becomes increasingly imperative to establish robust monitoring and detection mechanisms for potential underground CO2 leakage, particularly through pre-existing or induced faults in the storage reservoir's seals. While techniques such as history matching and time-lapse seismic monitoring of CO2 storage have been used successfully in tracking the evolution of CO2 plumes in the subsurface, these methods lack principled approaches to characterize uncertainties related to the CO2 plumes' behavior. Inclusion of systematic assessment of uncertainties is essential for risk mitigation for the following reasons: (i) CO2 plume-induced changes are small and seismic data is noisy; (ii) changes between regular and irregular (e.g., caused by leakage) flow patterns are small; and (iii) the reservoir properties that control the flow are strongly heterogeneous and typically only available as distributions. To arrive at a formulation capable of inferring flow patterns for regular and irregular flow from well and seismic data, the performance of conditional normalizing flow will be analyzed on a series of carefully designed numerical experiments. While the inferences presented are preliminary in the context of an early CO2 leakage detection system, the results do indicate that inferences with conditional normalizing flows can produce high-fidelity estimates for CO2 plumes with or without leakage. We are also confident that the inferred uncertainty is reasonable because it correlates well with the observed errors. This uncertainty stems from noise in the seismic data and from the lack of precise knowledge of the reservoir's fluid flow properties.

Ipsita Bhar, Huseyin Tuna Erdinc, Thales Souza et al.

The advent of machine learning (ML) and computer vision has significantly accelerated seismic inversion workflows by reducing the computational cost of traditionally expensive iterative methods. However, the development and evaluation of ML methods remain limited by the scarcity of realistic velocity models, as most high-quality data are privately owned by oil and gas companies. To address this gap, we present OpenSeisML, a collection of real seismic datasets designed to support generative AI (Gen-AI) workflows for seismic inversion. The datasets are curated from publicly available surveys in the UK National Data Repository (NDR). When seismic volumes are in the time domain and wells are in depth, a time-to-depth conversion is required. We use checkshot data to establish the time-depth relationship and construct a velocity model through interpolation for accurate conversion of post-stack seismic data. Here, we present an automated data curation pipeline that enables seismic data preparation while ensuring reproducibility. The objective is to train a generative model that captures the statistical distribution of subsurface properties, enabling the synthesis of multiple statistically consistent realizations for uncertainty quantification which can act as a prior for seismic inversion.

Mathias Louboutin, Fabio Luporini, Philipp Witte et al.

[Devito] is an open-source Python project based on domain-specific language and compiler technology. Driven by the requirements of rapid HPC applications development in exploration seismology, the language and compiler have evolved significantly since inception. Sophisticated boundary conditions, tensor contractions, sparse operations and features such as staggered grids and sub-domains are all supported; operators of essentially arbitrary complexity can be generated. To accommodate this flexibility whilst ensuring performance, data dependency analysis is utilized to schedule loops and detect computational-properties such as parallelism. In this article, the generation and simulation of MPI-parallel propagators (along with their adjoints) for the pseudo-acoustic wave-equation in tilted transverse isotropic media and the elastic wave-equation are presented. Simulations are carried out on industry scale synthetic models in a HPC Cloud system and reach a performance of 28TFLOP/s, hence demonstrating Devito's suitability for production-grade seismic inversion problems.

Ziyi Yin, Rafael Orozco, Mathias Louboutin et al.

We introduce a probabilistic technique for full-waveform inversion, employing variational inference and conditional normalizing flows to quantify uncertainty in migration-velocity models and its impact on imaging. Our approach integrates generative artificial intelligence with physics-informed common-image gathers, reducing reliance on accurate initial velocity models. Considered case studies demonstrate its efficacy producing realizations of migration-velocity models conditioned by the data. These models are used to quantify amplitude and positioning effects during subsequent imaging.

Rafael Orozco, Felix J. Herrmann, Peng Chen

Bayesian optimal experimental design (OED) seeks to conduct the most informative experiment under budget constraints to update the prior knowledge of a system to its posterior from the experimental data in a Bayesian framework. Such problems are computationally challenging because of (1) expensive and repeated evaluation of some optimality criterion that typically involves a double integration with respect to both the system parameters and the experimental data, (2) suffering from the curse-of-dimensionality when the system parameters and design variables are high-dimensional, (3) the optimization is combinatorial and highly non-convex if the design variables are binary, often leading to non-robust designs. To make the solution of the Bayesian OED problem efficient, scalable, and robust for practical applications, we propose a novel joint optimization approach. This approach performs simultaneous (1) training of a scalable conditional normalizing flow (CNF) to efficiently maximize the expected information gain (EIG) of a jointly learned experimental design (2) optimization of a probabilistic formulation of the binary experimental design with a Bernoulli distribution. We demonstrate the performance of our proposed method for a practical MRI data acquisition problem, one of the most challenging Bayesian OED problems that has high-dimensional (320 $\times$ 320) parameters at high image resolution, high-dimensional (640 $\times$ 386) observations, and binary mask designs to select the most informative observations.

Rafael Orozco, Philipp Witte, Mathias Louboutin et al.

InvertibleNetworks.jl is a Julia package designed for the scalable implementation of normalizing flows, a method for density estimation and sampling in high-dimensional distributions. This package excels in memory efficiency by leveraging the inherent invertibility of normalizing flows, which significantly reduces memory requirements during backpropagation compared to existing normalizing flow packages that rely on automatic differentiation frameworks. InvertibleNetworks.jl has been adapted for diverse applications, including seismic imaging, medical imaging, and CO2 monitoring, demonstrating its effectiveness in learning high-dimensional distributions.

Rafael Orozco, Ali Siahkoohi, Mathias Louboutin et al.

Due to their uncertainty quantification, Bayesian solutions to inverse problems are the framework of choice in applications that are risk averse. These benefits come at the cost of computations that are in general, intractable. New advances in machine learning and variational inference (VI) have lowered the computational barrier by learning from examples. Two VI paradigms have emerged that represent different tradeoffs: amortized and non-amortized. Amortized VI can produce fast results but due to generalizing to many observed datasets it produces suboptimal inference results. Non-amortized VI is slower at inference but finds better posterior approximations since it is specialized towards a single observed dataset. Current amortized VI techniques run into a sub-optimality wall that can not be improved without more expressive neural networks or extra training data. We present a solution that enables iterative improvement of amortized posteriors that uses the same networks architectures and training data. The benefits of our method requires extra computations but these remain frugal since they are based on physics-hybrid methods and summary statistics. Importantly, these computations remain mostly offline thus our method maintains cheap and reusable online evaluation while bridging the approximation gap these two paradigms. We denote our proposed method ASPIRE - Amortized posteriors with Summaries that are Physics-based and Iteratively REfined. We first validate our method on a stylized problem with a known posterior then demonstrate its practical use on a high-dimensional and nonlinear transcranial medical imaging problem with ultrasound. Compared with the baseline and previous methods from the literature our method stands out as an computationally efficient and high-fidelity method for posterior inference.

Rafael Orozco, Huseyin Tuna Erdinc, Yunlin Zeng et al.

Accurately characterizing migration velocity models is crucial for a wide range of geophysical applications, from hydrocarbon exploration to monitoring of CO2 sequestration projects. Traditional velocity model building methods such as Full-Waveform Inversion (FWI) are powerful but often struggle with the inherent complexities of the inverse problem, including noise, limited bandwidth, receiver aperture and computational constraints. To address these challenges, we propose a scalable methodology that integrates generative modeling, in the form of Diffusion networks, with physics-informed summary statistics, making it suitable for complicated imaging problems including field datasets. By defining these summary statistics in terms of subsurface-offset image volumes for poor initial velocity models, our approach allows for computationally efficient generation of Bayesian posterior samples for migration velocity models that offer a useful assessment of uncertainty. To validate our approach, we introduce a battery of tests that measure the quality of the inferred velocity models, as well as the quality of the inferred uncertainties. With modern synthetic datasets, we reconfirm gains from using subsurface-image gathers as the conditioning observable. For complex velocity model building involving salt, we propose a new iterative workflow that refines amortized posterior approximations with salt flooding and demonstrate how the uncertainty in the velocity model can be propagated to the final product reverse time migrated images. Finally, we present a proof of concept on field datasets to show that our method can scale to industry-sized problems.

Abhinav Prakash Gahlot, Felix J. Herrmann

To meet climate targets, the IPCC underscores the necessity of technologies capable of removing gigatonnes of CO2 annually, with Geological Carbon Storage (GCS) playing a central role. GCS involves capturing CO2 and injecting it into deep geological formations for long-term storage, requiring precise monitoring to ensure containment and prevent leakage. Time-lapse seismic imaging is essential for tracking CO2 migration but often struggles to capture the complexities of multi-phase subsurface flow. Digital Shadows (DS), leveraging machine learning-driven data assimilation techniques such as nonlinear Bayesian filtering and generative AI, provide a more detailed, uncertainty-aware monitoring approach. By incorporating uncertainties in reservoir properties, DS frameworks improve CO2 migration forecasts, reducing risks in GCS operations. However, data assimilation depends on assumptions regarding reservoir properties, rock physics models, and initial conditions, which, if inaccurate, can compromise prediction reliability. This study demonstrates that augmenting forecast ensembles with diverse rock physics models mitigates the impact of incorrect assumptions and improves predictive accuracy, particularly in differentiating uniform versus patchy saturation models.

Abhinav Prakash Gahlot, Rafael Orozco, Felix J. Herrmann

Geological Carbon Storage (GCS) is a key technology for achieving global climate goals by capturing and storing CO2 in deep geological formations. Its effectiveness and safety rely on accurate monitoring of subsurface CO2 migration using advanced time-lapse seismic imaging. A Digital Shadow framework integrates field data, including seismic and borehole measurements, to track CO2 saturation over time. Machine learning-assisted data assimilation techniques, such as generative AI and nonlinear ensemble Bayesian filtering, update a digital model of the CO2 plume while incorporating uncertainties in reservoir properties. Compared to 2D approaches, 3D monitoring enhances the spatial accuracy of GCS assessments, capturing the full extent of CO2 migration. This study extends the uncertainty-aware 2D Digital Shadow framework by incorporating 3D seismic imaging and reservoir modeling, improving decision-making and risk mitigation in CO2 storage projects.

Jeongjin, Park, Grant Bruer et al.

Neural operators have emerged as cost-effective surrogates for expensive fluid-flow simulators, particularly in computationally intensive tasks such as permeability inversion from time-lapse seismic data, and uncertainty quantification. In these applications, the fidelity of the surrogate's gradients with respect to system parameters is crucial, as the accuracy of downstream tasks, such as optimization and Bayesian inference, relies directly on the quality of the derivative information. Recent advances in physics-informed methods have leveraged derivative information to improve surrogate accuracy. However, incorporating explicit Jacobians can become computationally prohibitive, as the complexity typically scales quadratically with the number of input parameters. To address this limitation, we propose DeFINO (Derivative-based Fisher-score Informed Neural Operator), a reduced-order, derivative-informed training framework. DeFINO integrates Fourier neural operators (FNOs) with a novel derivative-based training strategy guided by the Fisher Information Matrix (FIM). By projecting Jacobians onto dominant eigen-directions identified by the FIM, DeFINO captures critical sensitivity information directly informed by observational data, significantly reducing computational expense. We validate DeFINO through synthetic experiments in the context of subsurface multi-phase fluid-flow, demonstrating improvements in gradient accuracy while maintaining robust forward predictions of underlying fluid dynamics. These results highlight DeFINO's potential to offer practical, scalable solutions for inversion problems in complex real-world scenarios, all at substantially reduced computational cost.

Huseyin Tuna Erdinc, Yunlin Zeng, Abhinav Prakash Gahlot et al.

We propose a score-based generative algorithm for sampling from power-scaled priors and likelihoods within the Bayesian inference framework. Our algorithm enables flexible control over prior-likelihood influence without requiring retraining for different power-scaling configurations. Specifically, we focus on synthesizing seismic velocity models conditioned on imaged seismic. Our method enables sensitivity analysis by sampling from intermediate power posteriors, allowing us to assess the relative influence of the prior and likelihood on samples of the posterior distribution. Through a comprehensive set of experiments, we evaluate the effects of varying the power parameter in different settings: applying it solely to the prior, to the likelihood of a Bayesian formulation, and to both simultaneously. The results show that increasing the power of the likelihood up to a certain threshold improves the fidelity of posterior samples to the conditioning data (e.g., seismic images), while decreasing the prior power promotes greater structural diversity among samples. Moreover, we find that moderate scaling of the likelihood leads to a reduced shot data residual, confirming its utility in posterior refinement.

Shiqin Zeng, Haoyun Li, Abhinav Prakash Gahlot et al.

This study investigates the use of score-based generative models for reservoir simulation, with a focus on reconstructing spatially varying permeability and saturation fields in saline aquifers, inferred from sparse observations at two well locations. By modeling the joint distribution of permeability and saturation derived from high-fidelity reservoir simulations, the proposed neural network is trained to learn the complex spatiotemporal dynamics governing multiphase fluid flow in porous media. During inference, the framework effectively reconstructs both permeability and saturation fields by conditioning on sparse vertical profiles extracted from well log data. This approach introduces a novel methodology for incorporating physical constraints and well log guidance into generative models, significantly enhancing the accuracy and physical plausibility of the reconstructed subsurface states. Furthermore, the framework demonstrates strong generalization capabilities across varying geological scenarios, highlighting its potential for practical deployment in data-scarce reservoir management tasks.

Zijun Deng, Rafael Orozco, Abhinav Prakash Gahlot et al.

Reducing CO$_2$ emissions is crucial to mitigating climate change. Carbon Capture and Storage (CCS) is one of the few technologies capable of achieving net-negative CO$_2$ emissions. However, predicting fluid flow patterns in CCS remains challenging due to uncertainties in CO$_2$ plume dynamics and reservoir properties. Building on existing seismic imaging methods like the Joint Recovery Method (JRM), which lacks uncertainty quantification, we propose the Probabilistic Joint Recovery Method (pJRM). By estimating posterior distributions across surveys using a shared generative model, pJRM provides uncertainty information to improve risk assessment in CCS projects.

Huseyin Tuna Erdinc, Rafael Orozco, Felix J. Herrmann

In this study, we introduce a novel approach to synthesizing subsurface velocity models using diffusion generative models. Conventional methods rely on extensive, high-quality datasets, which are often inaccessible in subsurface applications. Our method leverages incomplete well and seismic observations to produce high-fidelity velocity samples without requiring fully sampled training datasets. The results demonstrate that our generative model accurately captures long-range structures, aligns with ground-truth velocity models, achieves high Structural Similarity Index (SSIM) scores, and provides meaningful uncertainty estimations. This approach facilitates realistic subsurface velocity synthesis, offering valuable inputs for full-waveform inversion and enhancing seismic-based subsurface modeling.

Rafael Orozco, Abhinav Gahlot, Felix J. Herrmann

CO$_2$ sequestration is a crucial engineering solution for mitigating climate change. However, the uncertain nature of reservoir properties, necessitates rigorous monitoring of CO$_2$ plumes to prevent risks such as leakage, induced seismicity, or breaching licensed boundaries. To address this, project managers use borehole wells for direct CO$_2$ and pressure monitoring at specific locations. Given the high costs associated with drilling, it is crucial to strategically place a limited number of wells to ensure maximally effective monitoring within budgetary constraints. Our approach for selecting well locations integrates fluid-flow solvers for forecasting plume trajectories with generative neural networks for plume inference uncertainty. Our methodology is extensible to three-dimensional domains and is developed within a Bayesian framework for optimal experimental design, ensuring scalability and mathematical optimality. We use a realistic case study to verify these claims by demonstrating our method's application in a large scale domain and optimal performance as compared to baseline well placement.

Rafael Orozco, Ali Siahkoohi, Mathias Louboutin et al.

We present an iterative framework to improve the amortized approximations of posterior distributions in the context of Bayesian inverse problems, which is inspired by loop-unrolled gradient descent methods and is theoretically grounded in maximally informative summary statistics. Amortized variational inference is restricted by the expressive power of the chosen variational distribution and the availability of training data in the form of joint data and parameter samples, which often lead to approximation errors such as the amortization gap. To address this issue, we propose an iterative framework that refines the current amortized posterior approximation at each step. Our approach involves alternating between two steps: (1) constructing a training dataset consisting of pairs of summarized data residuals and parameters, where the summarized data residual is generated using a gradient-based summary statistic, and (2) training a conditional generative model -- a normalizing flow in our examples -- on this dataset to obtain a probabilistic update of the unknown parameter. This procedure leads to iterative refinement of the amortized posterior approximations without the need for extra training data. We validate our method in a controlled setting by applying it to a stylized problem, and observe improved posterior approximations with each iteration. Additionally, we showcase the capability of our method in tackling realistically sized problems by applying it to transcranial ultrasound, a high-dimensional, nonlinear inverse problem governed by wave physics, and observe enhanced posterior quality through better image reconstruction with the posterior mean.

Ali Siahkoohi, Gabrio Rizzuti, Felix J. Herrmann

We propose to use techniques from Bayesian inference and deep neural networks to translate uncertainty in seismic imaging to uncertainty in tasks performed on the image, such as horizon tracking. Seismic imaging is an ill-posed inverse problem because of bandwidth and aperture limitations, which is hampered by the presence of noise and linearization errors. Many regularization methods, such as transform-domain sparsity promotion, have been designed to deal with the adverse effects of these errors, however, these methods run the risk of biasing the solution and do not provide information on uncertainty in the image space and how this uncertainty impacts certain tasks on the image. A systematic approach is proposed to translate uncertainty due to noise in the data to confidence intervals of automatically tracked horizons in the image. The uncertainty is characterized by a convolutional neural network (CNN) and to assess these uncertainties, samples are drawn from the posterior distribution of the CNN weights, used to parameterize the image. Compared to traditional priors, it is argued in the literature that these CNNs introduce a flexible inductive bias that is a surprisingly good fit for a diverse set of problems. The method of stochastic gradient Langevin dynamics is employed to sample from the posterior distribution. This method is designed to handle large scale Bayesian inference problems with computationally expensive forward operators as in seismic imaging. Aside from offering a robust alternative to maximum a posteriori estimate that is prone to overfitting, access to these samples allow us to translate uncertainty in the image, due to noise in the data, to uncertainty on the tracked horizons. For instance, it admits estimates for the pointwise standard deviation on the image and for confidence intervals on its automatically tracked horizons.

Mathias Louboutin, Ali Siahkoohi, Rongrong Wang et al.

Thanks to the combination of state-of-the-art accelerators and highly optimized open software frameworks, there has been tremendous progress in the performance of deep neural networks. While these developments have been responsible for many breakthroughs, progress towards solving large-scale problems, such as video encoding and semantic segmentation in 3D, is hampered because access to on-premise memory is often limited. Instead of relying on (optimal) checkpointing or invertibility of the network layers -- to recover the activations during backpropagation -- we propose to approximate the gradient of convolutional layers in neural networks with a multi-channel randomized trace estimation technique. Compared to other methods, this approach is simple, amenable to analyses, and leads to a greatly reduced memory footprint. Even though the randomized trace estimation introduces stochasticity during training, we argue that this is of little consequence as long as the induced errors are of the same order as errors in the gradient due to the use of stochastic gradient descent. We discuss the performance of networks trained with stochastic backpropagation and how the error can be controlled while maximizing memory usage and minimizing computational overhead.

Ali Siahkoohi, Felix J. Herrmann

Uncertainty quantification provides quantitative measures on the reliability of candidate solutions of ill-posed inverse problems. Due to their sequential nature, Monte Carlo sampling methods require large numbers of sampling steps for accurate Bayesian inference and are often computationally infeasible for large-scale inverse problems, such as seismic imaging. Our main contribution is a data-driven variational inference approach where we train a normalizing flow (NF), a type of invertible neural net, capable of cheaply sampling the posterior distribution given previously unseen seismic data from neighboring surveys. To arrive at this result, we train the NF on pairs of low- and high-fidelity migrated images. In our numerical example, we obtain high-fidelity images from the Parihaka dataset and low-fidelity images are derived from these images through the process of demigration, followed by adding noise and migration. During inference, given shot records from a new neighboring seismic survey, we first compute the reverse-time migration image. Next, by feeding this low-fidelity migrated image to the NF we gain access to samples from the posterior distribution virtually for free. We use these samples to compute a high-fidelity image including a first assessment of the image's reliability. To our knowledge, this is the first attempt to train a conditional network on what we know from neighboring images to improve the current image and assess its reliability.

Ali Siahkoohi, Gabrio Rizzuti, Mathias Louboutin et al.

Obtaining samples from the posterior distribution of inverse problems with expensive forward operators is challenging especially when the unknowns involve the strongly heterogeneous Earth. To meet these challenges, we propose a preconditioning scheme involving a conditional normalizing flow (NF) capable of sampling from a low-fidelity posterior distribution directly. This conditional NF is used to speed up the training of the high-fidelity objective involving minimization of the Kullback-Leibler divergence between the predicted and the desired high-fidelity posterior density for indirect measurements at hand. To minimize costs associated with the forward operator, we initialize the high-fidelity NF with the weights of the pretrained low-fidelity NF, which is trained beforehand on available model and data pairs. Our numerical experiments, including a 2D toy and a seismic compressed sensing example, demonstrate that thanks to the preconditioning considerable speed-ups are achievable compared to training NFs from scratch.

Ali Siahkoohi, Gabrio Rizzuti, Philipp A. Witte et al.

In inverse problems, we often have access to data consisting of paired samples $(x,y)\sim p_{X,Y}(x,y)$ where $y$ are partial observations of a physical system, and $x$ represents the unknowns of the problem. Under these circumstances, we can employ supervised training to learn a solution $x$ and its uncertainty from the observations $y$. We refer to this problem as the "supervised" case. However, the data $y\sim p_{Y}(y)$ collected at one point could be distributed differently than observations $y'\sim p_{Y}'(y')$, relevant for a current set of problems. In the context of Bayesian inference, we propose a two-step scheme, which makes use of normalizing flows and joint data to train a conditional generator $q_θ(x|y)$ to approximate the target posterior density $p_{X|Y}(x|y)$. Additionally, this preliminary phase provides a density function $q_θ(x|y)$, which can be recast as a prior for the "unsupervised" problem, e.g.~when only the observations $y'\sim p_{Y}'(y')$, a likelihood model $y'|x$, and a prior on $x'$ are known. We then train another invertible generator with output density $q'_φ(x|y')$ specifically for $y'$, allowing us to sample from the posterior $p_{X|Y}'(x|y')$. We present some synthetic results that demonstrate considerable training speedup when reusing the pretrained network $q_θ(x|y')$ as a warm start or preconditioning for approximating $p_{X|Y}'(x|y')$, instead of learning from scratch. This training modality can be interpreted as an instance of transfer learning. This result is particularly relevant for large-scale inverse problems that employ expensive numerical simulations.

Gabrio Rizzuti, Ali Siahkoohi, Philipp A. Witte et al.

Uncertainty quantification for full-waveform inversion provides a probabilistic characterization of the ill-conditioning of the problem, comprising the sensitivity of the solution with respect to the starting model and data noise. This analysis allows to assess the confidence in the candidate solution and how it is reflected in the tasks that are typically performed after imaging (e.g., stratigraphic segmentation following reservoir characterization). Classically, uncertainty comes in the form of a probability distribution formulated from Bayesian principles, from which we seek to obtain samples. A popular solution involves Monte Carlo sampling. Here, we propose instead an approach characterized by training a deep network that "pushes forward" Gaussian random inputs into the model space (representing, for example, density or velocity) as if they were sampled from the actual posterior distribution. Such network is designed to solve a variational optimization problem based on the Kullback-Leibler divergence between the posterior and the network output distributions. This work is fundamentally rooted in recent developments for invertible networks. Special invertible architectures, besides being computational advantageous with respect to traditional networks, do also enable analytic computation of the output density function. Therefore, after training, these networks can be readily used as a new prior for a related inversion problem. This stands in stark contrast with Monte-Carlo methods, which only produce samples. We validate these ideas with an application to angle-versus-ray parameter analysis for reservoir characterization.

Mi Zhang, Ali Siahkoohi, Felix J. Herrmann

Achieving desirable receiver sampling in ocean bottom acquisition is often not possible because of cost considerations. Assuming adequate source sampling is available, which is achievable by virtue of reciprocity and the use of modern randomized (simultaneous-source) marine acquisition technology, we are in a position to train convolutional neural networks (CNNs) to bring the receiver sampling to the same spatial grid as the dense source sampling. To accomplish this task, we form training pairs consisting of densely sampled data and artificially subsampled data using a reciprocity argument and the assumption that the source-site sampling is dense. While this approach has successfully been used on the recovery monochromatic frequency slices, its application in practice calls for wavefield reconstruction of time-domain data. Despite having the option to parallelize, the overall costs of this approach can become prohibitive if we decide to carry out the training and recovery independently for each frequency. Because different frequency slices share information, we propose the use the method of transfer training to make our approach computationally more efficient by warm starting the training with CNN weights obtained from a neighboring frequency slices. If the two neighboring frequency slices share information, we would expect the training to improve and converge faster. Our aim is to prove this principle by carrying a series of carefully selected experiments on a relatively large-scale five-dimensional data synthetic data volume associated with wide-azimuth 3D ocean bottom node acquisition. From these experiments, we observe that by transfer training we are able t significantly speedup in the training, specially at relatively higher frequencies where consecutive frequency slices are more correlated.

Ali Siahkoohi, Gabrio Rizzuti, Felix J. Herrmann

In inverse problems, uncertainty quantification (UQ) deals with a probabilistic description of the solution nonuniqueness and data noise sensitivity. Setting seismic imaging into a Bayesian framework allows for a principled way of studying uncertainty by solving for the model posterior distribution. Imaging, however, typically constitutes only the first stage of a sequential workflow, and UQ becomes even more relevant when applied to subsequent tasks that are highly sensitive to the inversion outcome. In this paper, we focus on how UQ trickles down to horizon tracking for the determination of stratigraphic models and investigate its sensitivity with respect to the imaging result. As such, the main contribution of this work consists in a data-guided approach to horizon tracking uncertainty analysis. This work is fundamentally based on a special reparameterization of reflectivity, known as "deep prior". Feasible models are restricted to the output of a convolutional neural network with a fixed input, while weights and biases are Gaussian random variables. Given a deep prior model, the network parameters are sampled from the posterior distribution via a Markov chain Monte Carlo method, from which the conditional mean and point-wise standard deviation of the inferred reflectivities are approximated. For each sample of the posterior distribution, a reflectivity is generated, and the horizons are tracked automatically. In this way, uncertainty on model parameters naturally translates to horizon tracking. As part of the validation for the proposed approach, we verified that the estimated confidence intervals for the horizon tracking coincide with geologically complex regions, such as faults.

Ali Siahkoohi, Gabrio Rizzuti, Felix J. Herrmann

Uncertainty quantification is essential when dealing with ill-conditioned inverse problems due to the inherent nonuniqueness of the solution. Bayesian approaches allow us to determine how likely an estimation of the unknown parameters is via formulating the posterior distribution. Unfortunately, it is often not possible to formulate a prior distribution that precisely encodes our prior knowledge about the unknown. Furthermore, adherence to handcrafted priors may greatly bias the outcome of the Bayesian analysis. To address this issue, we propose to use the functional form of a randomly initialized convolutional neural network as an implicit structured prior, which is shown to promote natural images and excludes images with unnatural noise. In order to incorporate the model uncertainty into the final estimate, we sample the posterior distribution using stochastic gradient Langevin dynamics and perform Bayesian model averaging on the obtained samples. Our synthetic numerical experiment verifies that deep priors combined with Bayesian model averaging are able to partially circumvent imaging artifacts and reduce the risk of overfitting in the presence of extreme noise. Finally, we present pointwise variance of the estimates as a measure of uncertainty, which coincides with regions that are more difficult to image.

Ali Siahkoohi, Mathias Louboutin, Felix J. Herrmann

Accurate forward modeling is important for solving inverse problems. An inaccurate wave-equation simulation, as a forward operator, will offset the results obtained via inversion. In this work, we consider the case where we deal with incomplete physics. One proxy of incomplete physics is an inaccurate discretization of Laplacian in simulation of wave equation via finite-difference method. We exploit intrinsic one-to-one similarities between timestepping algorithm with Convolutional Neural Networks (CNNs), and propose to intersperse CNNs between low-fidelity timesteps. Augmenting neural networks with low-fidelity timestepping algorithms may allow us to take large timesteps while limiting the numerical dispersion artifacts. While simulating the wave-equation with low-fidelity timestepping algorithm, by correcting the wavefield several time during propagation, we hope to limit the numerical dispersion artifact introduced by a poor discretization of the Laplacian. As a proof of concept, we demonstrate this principle by correcting for numerical dispersion by keeping the velocity model fixed, and varying the source locations to generate training and testing pairs for our supervised learning algorithm.

Felix J. Herrmann, Ali Siahkoohi, Gabrio Rizzuti

We outline new approaches to incorporate ideas from deep learning into wave-based least-squares imaging. The aim, and main contribution of this work, is the combination of handcrafted constraints with deep convolutional neural networks, as a way to harness their remarkable ease of generating natural images. The mathematical basis underlying our method is the expectation-maximization framework, where data are divided in batches and coupled to additional "latent" unknowns. These unknowns are pairs of elements from the original unknown space (but now coupled to a specific data batch) and network inputs. In this setting, the neural network controls the similarity between these additional parameters, acting as a "center" variable. The resulting problem amounts to a maximum-likelihood estimation of the network parameters when the augmented data model is marginalized over the latent variables.

Rajiv Kumar, Oscar López, Damek Davis et al.

Acquisition cost is a crucial bottleneck for seismic workflows, and low-rank formulations for data interpolation allow practitioners to `fill in' data volumes from critically subsampled data acquired in the field. Tremendous size of seismic data volumes required for seismic processing remains a major challenge for these techniques. We propose a new approach to solve residual constrained formulations for interpolation. We represent the data volume using matrix factors, and build a block-coordinate algorithm with constrained convex subproblems that are solved with a primal-dual splitting scheme. The new approach is competitive with state of the art level-set algorithms that interchange the role of objectives with constraints. We use the new algorithm to successfully interpolate a large scale 5D seismic data volume, generated from the geologically complex synthetic 3D Compass velocity model, where 80% of the data has been removed.

Aleksandr Y. Aravkin, Rajiv Kumar, Hassan Mansour et al.

Recent SVD-free matrix factorization formulations have enabled rank minimization for systems with millions of rows and columns, paving the way for matrix completion in extremely large-scale applications, such as seismic data interpolation. In this paper, we consider matrix completion formulations designed to hit a target data-fitting error level provided by the user, and propose an algorithm called LR-BPDN that is able to exploit factorized formulations to solve the corresponding optimization problem. Since practitioners typically have strong prior knowledge about target error level, this innovation makes it easy to apply the algorithm in practice, leaving only the factor rank to be determined. Within the established framework, we propose two extensions that are highly relevant to solving practical challenges of data interpolation. First, we propose a weighted extension that allows known subspace information to improve the results of matrix completion formulations. We show how this weighting can be used in the context of frequency continuation, an essential aspect to seismic data interpolation. Second, we propose matrix completion formulations that are robust to large measurement errors in the available data. We illustrate the advantages of LR-BPDN on the collaborative filtering problem using the MovieLens 1M, 10M, and Netflix 100M datasets. Then, we use the new method, along with its robust and subspace re-weighted extensions, to obtain high-quality reconstructions for large scale seismic interpolation problems with real data, even in the presence of data contamination.