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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 1,387 records · Page 77
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

A Scalable Space-Time Domain Decomposition Approach for Solving Large Scale Nonlinear Regularized Inverse Ill Posed Problems in 4D Variational Data Assimilation

We address the development of innovative algorithms designed to solve the strong-constraint Four Dimensional Variational Data Assimilation (4DVar DA) problems in large scale applications. We present a space-time decomposition approach which employs the whole domain decomposition, i.e. both along the spacial and temporal direction in the overlapping case, and the partitioning of both the solution and the operator. Starting from the global functional defined on the entire domain, we get to a sort of regularized local functionals on the set of sub domains providing the order reduction of both the predictive and the Data Assimilation models. The algorithm convergence is developed. Performance in terms of reduction of time complexity and algorithmic scalability is discussed on the Shallow Water Equations on the sphere. The number of state variables in the model, the number of observations in an assimilation cycle, as well as numerical parameters as the discretization step in time and in space domain are defined on the basis of discretization grid used by data available at repository Ocean Synthesis/Reanalysis Directory of Hamburg University.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Machine learning-aided inverse design for biogas upgrading through biological CO 2 conversion

The biogas upgrading process through bioconversion of CO 2 to CH 4 by hydrogenotrophic methanogens is an attractive strategy for energy decarbonation. Many studies have optimized operational parameters to improve key performance indicators such as CH 4 % and H 2 utilization efficiency. However, inconsistent laboratory conditions make it challenging to compare results. Existing models for analyzing operating conditions can only assess the impact of individual conditions and lack the ability to simultaneously optimize multiple conditions. To address this, two XGBoost models were built with R 2 of 0.779 and 0.903 with data collected from literatures and were embedded into multi-objective partitive swarm optimization algorithm to optimal operating conditions. Predictions were compared with experimental validations under optimized conditions, revealing an 8.50% and 2.95% relative error in CH 4 % and H 2 conversion rate, respectively. This approach streamlines biogas upgrading processes, offering a data-driven solution to enhance efficiency and consistency in the pursuit of sustainable methane production.

Biogas upgrading↗
DOE OSTI2020

Sequential ensemble transform for Bayesian inverse problems

In this work, we present the Sequential Ensemble Transform (SET) method, an approach for generating approximate samples from a Bayesian posterior distribution. The method explores the posterior distribution by solving a sequence of discrete optimal transport problems to produce a series of transport plans which map prior samples to posterior samples. We prove that the sequence of Dirac mixture distributions produced by the SET method converges weakly to the true posterior as the sample size approaches infinity. Furthermore, our numerical results indicate that, when compared to standard Sequential Monte Carlo (SMC) methods, the SET approach is more robust to the choice of Markov mutation kernels and requires less computational efforts to reach a similar accuracy when used to explore complex posterior distributions. Finally, we describe adaptive schemes that allow to completely automate the use of the SET method.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Physics-informed Karhunen-Loeve and Neural Network Approximations for Solving Inverse Differential Equation Problems

Here we present the PI-CKL-NN method for parameter estimation in differential equation (DE) models given sparse measurements of the parameters and states. In the proposed approach, the space- or time-dependent parameters are approximated by Karhunen-Loeve (KL) expansions that are conditioned on the parameters’ measurements, and the states are approximated by deep neural networks (DNNs). The unknown weights in the KL expansions and DNNs are found my minimizing the cost function that enforces the measurements of the states the DE constraint. Regularization is achieved by adding the l2 norm of the conditional KL coefficients into the loss function. Our approach assumes that the parameter fields are correlated in space or time and enforces the statistical knowledge (the mean and the covariance function) in addition to the DE constraints and measurements as opposed to the physics-informed neural network (PINN) and other similar physics-informed machine learning methods where only DE constraints and data are used for parameter estimation. We use the PI-CKL-NN method for parameter estimation in an ordinary differential equation with an unknown time-dependent parameter and the one- and two-dimensional partial differential diffusion equations with unknown space-dependent diffusion coefficients. We also demonstrate that PI-CKL-NN is more accurate than the PINN method, especially when the observations of the parameters are very sparse

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Alpert multi-wavelets for functional inverse problems: direct optimization and deep learning

Computational engineering models often contain unknown entities (e.g. parameters, initial and boundary conditions) that require estimation from other measured observable data. Estimating such unknown entities is challenging when they involve spatio-temporal fields because such functional variables often require an infinite-dimensional representation. Here, we address this problem by transforming an unknown functional field using Alpert wavelet bases and truncating the resulting spectrum. Hence the problem reduces to the estimation of few coefficients that can be performed using common optimization methods. We apply this method on a one-dimensional heat transfer problem where we estimate the heat source field varying in both time and space. The observable data is comprised of temperature measured at several thermocouples in the domain. This latter is composed of either copper or stainless steel. The optimization using our method based on wavelets is able to estimate the heat source with an error between 5% and 7%. We analyze the effect of the domain material and number of thermocouples as well as the sensitivity to the initial guess of the heat source. Finally, we estimate the unknown heat source using a different approach based on deep learning techniques where we consider the input and output of a multi-layer perceptron in wavelet form. We find that this deep learning approach is more accurate than the optimization approach with errors below 4%.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

On the use of adjoints in the inversion of observed quasi-static deformation

An adjoint-based conjugate gradient algorithm provides an efficient means for imaging sources of deformation within the Earth, such as volume stresses associated with fluid flow in aquifers and reservoirs. For time intervals over which the overburden deforms elastically, one can calculate the gradient elements for a single model update using just two numerical simulations. The first is a forward run that is used to compute the residuals associated with the given iteration. The second simulation is to evaluate the application of the adjoint operator to the residuals. In this adjoint calculation, the residual displacements are applied as sources at the measurement locations, driving the deformation in the simulation. The volume stress on the source grid blocks, in response to the residual displacements, provide the gradient components. We apply this technique to satellite-based interferometric synthetic aperture radar (InSAR) line-of-sight displacements that were observed over an oil reservoir in California’s Central Valley. Furthermore, we find that the adjoint-based gradient estimates, requiring 18 CPU seconds, agree with conventional numerical calculations that take over 3700 CPU seconds to compute. Conjugate gradient algorithms utilizing the conventional approach and adjoint-based gradient computations give roughly the same reductions in misfit and similar final estimates of reservoir volume change.

58 GEOSCIENCES↗