@article {gahlot2024uads,
	title = {An uncertainty-aware Digital Shadow for underground multimodal CO2 storage monitoring},
	journal = {Geophysical Journal International},
	year = {2025},
	note = {(Geophysical Journal International)},
	month = {5},
	abstract = {As a society, we are faced with important challenges to combat climate change. Geological Carbon Storage (GCS), during which gigatonnes of super-critical CO2 are stored underground, is arguably the only scalable net-negative CO2-emission technology that is available. While promising, subsurface complexities and heterogeneity of reservoir properties demand a systematic approach to quantify uncertainty when optimizing production and mitigating storage risks, which include assurances of Containment and Conformance of injected supercritical CO2. As a first step towards the design and implementation of a Digital Twin for monitoring and control of underground storage operations, a machine-learning-based data-assimilation framework is introduced and validated on carefully designed realistic numerical simulations. Because our implementation is based on Bayesian inference, but does not yet support control and decision-making, we coin our approach an uncertainty-aware Digital Shadow. To characterize the posterior distribution for the state of CO2 plumes (its CO2 concentration and pressure), conditioned on multi-modal time-lapse data, the envisioned Shadow combines techniques from Simulation-Based Inference (SBI) and Ensemble Bayesian Filtering to establish probabilistic baselines and assimilate multi-modal data for GCS problems that are challenged by large degrees of freedom, nonlinear multiphysics, non-Gaussianity, and computationally expensive to evaluate fluid-flow and seismic simulations. To enable SBI for dynamic systems, a recursive scheme is proposed where the Digital Shadow{\textquoteright}s neural networks are trained on simulated ensembles for their state and observed data (well and/or seismic). Once training is completed, the system{\textquoteright}s state is inferred when time-lapse field data becomes available. Contrary to ensemble Kalman filtering, corrections to the predicted simulated states are not based on linear updates, but instead follow during the Analysis step of Bayesian filtering from a prior-to-posterior mapping through the latent space of a nonlinear transform. Starting from a probabilistic model for the permeability field, derived from a baseline surface-seismic survey, the proposed Digital Shadow is validated on unseen simulated ground-truth time-lapse data. In this computational study, we observe that a lack of knowledge on the permeability field can be factored into the Digital Shadow{\textquoteright}s uncertainty quantification. Our results also indicate that the highest reconstruction quality is achieved when the state of the CO2 plume is conditioned on both time-lapse seismic data and wellbore measurements. Despite the incomplete knowledge of the permeability field, the proposed Digital Shadow was able to accurately track the unseen physical state of the subsurface throughout the duration of a realistic CO2 injection project. To the best of our knowledge, this work represents the first proof-of-concept of an uncertainty-aware, in-principle scalable, Digital Shadow that captures the uncertainty arising from unknown reservoir properties and noisy observations. This framework provides a foundation for the development of a Digital Twin aimed at mitigating risks and optimizing the management of underground storage projects.},
	keywords = {Bayesian inference, conditional normalizing flows, deep learning, digital twin, GCS, Inverse problems, sequential Bayes, Summary Statistics, Uncertainty quantification},
	doi = {10.1093/gji/ggaf176},
	url = {https://slim.gatech.edu/Publications/Public/Submitted/2024/gahlot2024uads/paper.html},
	author = {Abhinav Prakash Gahlot and Rafael Orozco and Ziyi Yin and Felix J. Herrmann}
}
@article {dasilva2017uls,
	title = {A unified 2D/3D large scale software environment for nonlinear inverse problems},
	journal = {ACM Transactions on Mathematical Software},
	year = {2019},
	note = {Accepted on January 27, 2019.},
	abstract = {Large scale parameter estimation problems are some of the most computationally demanding problems. An academic researcher{\textquoteright}s domain-specific knowledge often precludes that of software design, which results in software frameworks for inversion that are technically correct, but not scalable to realistically-sized problems. On the other hand, the computational demands of the problem for realistic problems result in industrial codebases that are geared solely for performance, rather than comprehensibility or flexibility. We propose a new software design 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 using 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 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.},
	keywords = {large scale, Matlab, Optimization, PDE-constrained inversion},
	url = {https://slim.gatech.edu/Publications/Public/Journals/ACMTOMS/2019/dasilva2017uls/dasilva2017uls.html},
	author = {Curt Da Silva and Felix J. Herrmann}
}
@article {fang2017uqfip,
	title = {Uncertainty quantification for inverse problems with weak partial-differential-equation constraints},
	journal = {Geophysics},
	volume = {83},
	number = {6},
	year = {2018},
	note = {(Geophysics)},
	pages = {R629-R647},
	abstract = {In a statistical inverse problem, the objective is a complete statistical description of unknown parameters from noisy observations in order to quantify uncertainties of the parameters of interest. We consider inverse problems with partial-differential-equation-constraints, which are applicable to a variety of seismic problems. Bayesian inference is one of the most widely-used approaches to precisely quantify statistics through a posterior distribution, incorporating uncertainties in observed data, modeling kernel, and prior knowledge of the parameters. Typically when formulating the posterior distribution, the partial-differential-equation-constraints are required to be exactly satisfied, resulting in a highly nonlinear forward map and a posterior distribution with many local maxima. These drawbacks make it difficult to find an appropriate approximation for the posterior distribution. Another complicating factor is that traditional Markov chain Monte Carlo methods are known to converge slowly for realistically sized problems. In this work, we relax the partial-differential-equation-constraints by introducing an auxiliary variable, which allows for Gaussian deviations in the partial-differential-equations. Thus, we obtain a new bilinear posterior distribution consisting of both data and partial-differential-equation misfit terms. We illustrate that for a particular range of variance choices for the partial-differential-equation misfit term, the new posterior distribution has fewer modes and can be well-approximated by a Gaussian distribution, which can then be sampled in a straightforward manner. Since it is prohibitively expensive to explicitly construct the dense covariance matrix of the Gaussian approximation for intermediate to large-scale problems, we present a method to implicitly construct it, which enables efficient sampling. We apply this framework to two-dimensional seismic inverse problems with 1,800 and 92,455 unknown parameters. The results illustrate that our framework can produce comparable statistical quantities to those produced by conventional Markov chain Monte Carlo type methods while requiring far fewer partial-differential-equation solves, which are the main computational bottlenecks in these problems.},
	keywords = {acoustic, FWI, UQ, weak-constraint},
	doi = {10.1190/geo2017-0824.1},
	url = {https://slim.gatech.edu/Publications/Public/Journals/Geophysics/2018/fang2017uqfip/fang2017uqfip.html},
	author = {Zhilong Fang and Curt Da Silva and Rachel Kuske and Felix J. Herrmann}
}
@article {bougher2015CSEGust,
	title = {Using the scattering transform to predict stratigraphic units from well logs},
	journal = {CSEG Recorder},
	volume = {41},
	number = {1},
	year = {2016},
	note = {(CSEG Recorder)},
	month = {01},
	pages = {22-25},
	abstract = {Much of geophysical interpretation relies on trained pattern recognition of signals and images, a workflow that can be modeled by supervised machine learning. A challenge of supervised learning is determining a physically meaningful feature set that can successfully classify the data. Defined by a network of cascading wavelets, the scattering transform provides a non-linear multiscale analysis that has deep connections to the fractal statistics of the signal. Interestingly, the scattering transform takes the form of a pre-trained convolutional neural network. This paper uses the scattering transform to extract features from well logs in order to train a classifier that can predict stratigraphic units. The methodology is tested on interpreted well logs from Trenton-Black River project and initial results are presented.},
	keywords = {machine learning, scattering transform, well logs},
	url = {https://slim.gatech.edu/Publications/Public/Journals/CSEGRecorder/2016/bougher2015CSEGust/bougher2015CSEGust.html},
	url2 = {http://csegrecorder.com/articles/view/using-the-scattering-transform-to-predict-strat-units-from-well-logs},
	author = {Ben B. Bougher and Felix J. Herrmann}
}
