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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 CO 2 plume predictions near, and far away, from the monitoring wells.

We introduce Devito, a new domain-specific language for implementing high-performance finite-difference partial differential equation solvers. The motivating application is exploration seismology for which methods such as full-waveform inversion and reverse-time migration are used to invert terabytes of seismic data to create images of the Earth's subsurface. Even using modern supercomputers, it can take weeks to process a single seismic survey and create a useful subsurface image. The computational cost is dominated by the numerical solution of wave equations and their corresponding adjoints. Therefore, a great deal of effort is invested in aggressively optimizing the performance of these wave-equation propagators for different computer architectures. Additionally, the actual set of partial differential equations being solved and their numerical discretization is under constant innovation as increasingly realistic representations of the physics are developed, further ratcheting up the cost of practical solvers. By embedding a domain-specific language within Python and making heavy use of SymPy, a symbolic mathematics library, we make it possible to develop finite-difference simulators quickly using a syntax that strongly resembles the mathematics. The Devito compiler reads this code and applies a wide range of analysis to generate highly optimized and parallel code. This approach can reduce the development time of a verified and optimized solver from months to days.

Seismic inversion, and more generally geophysical exploration, aims at better understanding the earth’s subsurface, which is one of today’s most important challenges. Firstly, it contains natural resources that are critical to our technologies such as water, minerals and oil and gas. Secondly, monitoring the subsurface in the context of CO2 sequestration, earthquake detection and global seismology are of major interests with regard to safety and the environment hazards. However, the technologies to monitor the subsurface or find resources are scientifically extremely challenging. Seismic inversion can be formulated as a mathematical optimization problem that minimizes the difference between field recorded data and numerically modeled synthetic data. The process of solving this optimization problem then requires to numerically model, thousands of times, wave-propagation in large three-dimensional representations of part of the earth subsurface. The mathematical and computational complexity of this problem, therefore, calls for software design that abstracts these requirements and facilitates algorithm and software development.My thesis addresses some of the challenges that arise from these problems; mainly the computational cost and access to the right software for research and development. In the first part, I will discuss a performance metric that improves the current runtime-only benchmarks in exploration geophysics. This metric, the roofline model, first provides insight at the hardware level of the performance of a given implementation relative to the maximum achievable performance. Second, this study demonstrates that the choice of numerical discretization has a major impact on the achievable performance depending on the hardware at hand and shows that a flexible framework with respect to the discretization parameters is necessary. In the second part, I will introduce and describe Devito, a symbolic finite-difference DSL that provides a high-level interface to the definition of partial differential equations (PDE) such as the wave equation. Devito, from the symbolic definition of PDEs, then generates and compiles highly optimized C code on-the-fly to compute the solution of the PDE. The combination of the high-level abstractions and the just-in-time compiler enable research for geophysical exploration and PDE-constrainted optimization based on the paradigm of separation of concerns. This allows researchers to concentrate on their respective field of study while having access to computationally performant solvers with a flexible and easy to use interface to successfully implement complex representations of the physics. The second part of my thesis will be split into two sub-parts; first describing the symbolic application programming interface (API), before describing and benchmarking the just-in-time compiler. I will end my thesis with concluding remarks, the latest developments and a brief description of projects that were enabled by Devito.

This paper proposes a new method that combines checkpointing methods with error-controlled lossy compression for large-scale high-performance full-waveform inversion (FWI), an inverse problem commonly used in geophysical exploration. This combination can significantly reduce data movement, allowing a reduction in run time as well as peak memory.In the exascale computing era, frequent data transfer (e.g., memory bandwidth, PCIe bandwidth for GPUs, or network) is the performance bottleneck rather than the peak FLOPS of the processing unit.Like many other adjoint-based optimization problems, FWI is costly in terms of the number of floating-point operations, large memory footprint during backpropagation, and data transfer overheads. Past work for adjoint methods has developed checkpointing methods that reduce the peak memory requirements during backpropagation at the cost of additional floating-point computations.Combining this traditional checkpointing with error-controlled lossy compression, we explore the three-way tradeoff between memory, precision, and time to solution. We investigate how approximation errors introduced by lossy compression of the forward solution impact the objective function gradient and final inverted solution. Empirical results from these numerical experiments indicate that high lossy-compression rates (compression factors ranging up to 100) have a relatively minor impact on convergence rates and the quality of the final solution.

Time-lapse seismic monitoring necessitates integrated workflows that combine seismic and reservoir modeling to enhance reservoir property estimation. We present a feasibility study of an end-to-end inversion framework that directly inverts for permeability from prestack time-lapse seismic data. To assess the method's robustness, we design experiments focusing on its sensitivity to initial models and potential errors in modeling. Our study leverages the Compass model to simulate CO2 storage in saline aquifers, which is derived from well and seismic data from the North Sea, a candidate site for geological carbon storage.

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.

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.

Time-lapse seismic monitoring of carbon storage and sequestration is often challenging because the time-lapse signature of the growth of CO2 plumes is weak in amplitude and therefore difficult to detect seismically. This situation is compounded by the fact that the surveys are often coarsely sampled and not replicated to reduce costs. As a result, images obtained for different vintages (baseline and monitor surveys) often contain artifacts that may be attributed wrongly to time-lapse changes. To address these issues, we propose to invert the baseline and monitor surveys jointly. By using the joint recovery model, we exploit information shared between multiple time-lapse surveys. Contrary to other time-lapse methods, our approach does not rely on replicating the surveys to detect time-lapse changes. To illustrate this advantage, we present a numerical sensitivity study where CO2 is injected in a realistic synthetic model. This model is representative of the geology in the southeast of the North Sea, an area currently considered for carbon sequestration. Our example demonstrates that the joint recovery model improves the quality of time-lapse images allowing us to monitor the CO2 plume seismically.

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.

The massive cost of 3D acquisition calls for methods to reduce the number of receivers by designing optimal receiver sampling masks. Recent studies on 2D seismic showed that maximizing the spectral gap of the subsampling mask leads to better wavefield reconstruction results. We enrich the current study by proposing a simulation-free method to generate optimal 3D acquisition by maximizing the spectral gap of the subsampling mask via a simulated annealing algorithm. Numerical experiments confirm improvement of the proposed method over receiver sampling locations obtained by jittered sampling.