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@PHDTHESIS{Liang:980351,
      author       = {Liang, Zhouji},
      othercontributors = {Wellmann, Jan Florian and Ghattas, Omar},
      title        = {{D}erivative-informed {B}ayesian inference for trainable
                      geological modeling - in modern machine-learning framework},
      school       = {RWTH Aachen University},
      type         = {Dissertation},
      address      = {Aachen},
      publisher    = {RWTH Aachen University},
      reportid     = {RWTH-2024-02206},
      pages        = {1 Online-Ressource : Illustrationen},
      year         = {2023},
      note         = {Veröffentlicht auf dem Publikationsserver der RWTH Aachen
                      University 2024; Dissertation, RWTH Aachen University, 2023},
      abstract     = {Earth’s subsurface remains the most vital source of
                      energy and minerals for humankind. However, these subsurface
                      resources cannot be extracted without a comprehensive
                      understanding of what lies beneath our feet. Geoscientists
                      have dedicated significant efforts characterizing the
                      subsurface to guide resource development decisions and have
                      increasingly relied on computer modeling software. A 3D
                      structural geological model serves as such a tool that
                      encapsulates the knowledge of geoscientists and provides an
                      efficient visualization, communication, and advanced
                      analysis. Ensuring a faithful representation of the
                      subsurface is a crucial task for the geological model, both
                      from the financial point of view and for safety reasons.
                      Conventionally, a single model is developed based on the
                      modeler’s best knowledge. Yet, any criteria the model was
                      based on beyond our actual observation is subject to certain
                      uncertainties, for example, the input data, the
                      interpolation, and the missing knowledge. A good
                      quantification of these uncertainties is fundamental for the
                      success of the application of geological models. The
                      Bayesian framework offers a systematic approach to
                      simultaneously consider the uncertainties in the prior
                      knowledge and additional observations within the likelihood
                      function. The inferred probability with the consideration of
                      additional observations is referred to as the posterior
                      probability. This inference problem often cannot be solved
                      analytically. Evaluating the posterior distribution is
                      equivalent to the exploration of the posterior space and is
                      often solved using Markov Chain Monte Carlo (MCMC) methods.
                      In the geosciences, geophysical data is widely used to
                      characterize the subsurface through collection of
                      observations of physical signals. The accumulated scientific
                      expertise and collected geophysical surveys make geophysical
                      data an attractive candidate for uncertainty quantification.
                      However, integrating geophysical observations in the
                      Bayesian Framework is challenging due to difficulties in
                      calculating chained derivatives of geological followed by
                      geophysical simulations. This thesis presents an end-to-end
                      methodology to solve the problem of integrating potential
                      field data, specifically gravity, into the Bayesian
                      inference framework by leveraging advanced
                      derivative-informed inference methods, implemented in a
                      Machine Learning framework - TensorFlow. First, methods are
                      introduced to simulate gravity data from a geological model
                      using the implicit modeling method. The proposed kernel
                      methods for gravity simulation take advantage of the value
                      that can be queried at any position in space based on the
                      implicit modeling methods to achieve a more efficient
                      gravity calculation. In addition, a refinement strategy is
                      proposed to achieve better accuracy in the probabilistic
                      modeling framework. Then, methods to create trainable
                      geological models are introduced. The proposed methods
                      introduce a smooth slope function to bridge derivative
                      discontinuities between geological modeling and gravity
                      simulation. The proposed method enables meaningful
                      derivatives to be calculated from a geological inversion to
                      allow the application of advanced inference methods. A
                      visualization method using the order-reduction technique is
                      adopted to visualize the trainable posterior space. Finally,
                      by combining the introduced gravity simulation methods and
                      trainable geological modeling technique, this study is the
                      first attempt to adopt advanced inference methods, including
                      the Hessian-informed MCMC (generalized preconditioned
                      Crank-Nicolson, gpCN) and gradient-informed variational
                      method (Stein Variational Gradient Descent, SVGD) to the
                      application of probabilistic geological modeling. The
                      approach to efficiently evaluate Hessian information based
                      on the trainable geological concept is introduced. The
                      proposed methodology using gpCN has demonstrated the
                      superior performance of posterior exploration compared to
                      the state-of-the-art MCMC method in both synthetic examples
                      and real case studies and shows the potential for more
                      complex scenarios. The SVGD algorithm is proposed in an
                      attempt to tackle the multimodal posterior, which is a
                      challenge for many MCMC-type algorithms. Preliminary results
                      show that the posterior space in geological inversion with
                      gravity as the likelihood could be complex, and the
                      multimodal distribution is difficult to resolve in the
                      current configuration. This is intended to show the
                      possibility of applying SVGD to solve the model-based
                      inversion problem and indicates the need for further
                      improvement.},
      cin          = {532610 / 530000 / 080052},
      ddc          = {550},
      cid          = {$I:(DE-82)532610_20140620$ / $I:(DE-82)530000_20140620$ /
                      $I:(DE-82)080052_20160101$},
      pnm          = {GRK 2379 - GRK 2379: Hierarchische und hybride Ansätze
                      für moderne inverse Probleme (333849990)},
      pid          = {G:(GEPRIS)333849990},
      typ          = {PUB:(DE-HGF)11},
      doi          = {10.18154/RWTH-2024-02206},
      url          = {https://publications.rwth-aachen.de/record/980351},
}