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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 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Surrogate multi-fidelity data and model fusion for scientific discovery and uncertainty quantification in Earth System Models

This whitepaper addresses the Earth and Environmental Systems Sciences Division (EESSD)’s predictability challenges in modeling the integrated water cycle and data-model integration. Specifically, it focuses on reducing and characterizing the uncertainty in the representation of process models for unresolved physics, either due to model resolution or limited by the physical under standing or computational efficiency, and the use of observational data for in-situ process parameter optimization within ESM. The described methods may also be used to determine the nature of responses (e.g. strength and direction), and hence to identify critical processes that drive the overall ESM responses to perturbation in the forcing

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

ETHOS: An automated framework to generate multi-fidelity constitutive data tables and propagate uncertainties to hydrodynamic simulations

Accurate constitutive data, such as equations of state and plasma transport coefficients, are necessary for reliable hydrodynamic simulations of plasma systems such as fusion targets, planets, and stars. Here, we develop a framework for automatically generating transport-coefficient tables using a parameterized model that incorporates data from both high-fidelity sources (e.g., density functional theory calculations and reference experiments) and lower-fidelity sources (e.g., average-atom and analytic models). The framework incorporates uncertainties from these multi-fidelity sources, generating ensembles of optimally diverse tables that are suitable for uncertainty quantification of hydrodynamic simulations. We illustrate the utility of the framework with magnetohydrodynamic simulations of magnetically launched flyer plates, which are used to measure material properties in pulsed-power experiments. We explore how changes in the uncertainties assigned to the multi-fidelity data sources propagate to changes in simulation outputs and find that our simulations are most sensitive to uncertainties near the melting transition. The presented framework enables computationally efficient uncertainty quantification that readily incorporates new high-fidelity measurements or calculations and identifies plasma regimes where additional data will have high impact.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Multi-Fidelity Learning for Distribution System Voltage Probabilistic Analysis with High Penetration of PVs

This paper proposes a multi-fidelity learning approach for distribution voltage probabilistic analysis with high penetration of PVs. Unlike the existing machine learning-based approaches that require a large number of high fidelity data to achieve satisfactory results, our approach strategically leverage massive low fidelity data from inaccurate model simulations and limited high fidelity historical data. The key idea is to use low-fidelity data to establish an initial model and then the high-fidelity data to calibrate and correct the constructed low-fidelity model. This allows us to fuse low- and high-fidelity data, yielding a high fidelity prediction model. Results obtained from a realistic feeder in US with 80% penetration of PVs show that the proposed approach can achieve a similar accuracy to the one with a large number of high fidelity data. This significantly highlights the advantages of the proposed method as compared to existing data-hungry machine learning methods. Different levels of fidelity data and their impacts are also investigated.

distribution system↗
NASA NTRS2020

CyberGAN: Generating High-fidelity Cybersecurity Data With Generative Adversarial Networks

Machine learning for cyber defense offers the promise of detecting adversarial activity against the ground data systems managing critical space assets. A fundamental challenge facing machine learning research in cybersecurity is the lack of high-fidelity, shareable datasets for robust evaluation and testing of machine learning-based solutions. High-fidelity, real-world datasets are necessary for reliable benchmarking of nominal system behavior and malicious activity. Unfortunately, such realistic datasets of both nominal and adversarial activity are rarely shared publicly by data owners due to security and privacy concerns. Besides, the available adversarial data is sparse, which makes training models on malicious activity much harder. This situation has impeded and continues to impede the research and successful adoption of machine learning methods for cyber defense. Researchers have dealt with this problem by generating data within a low-fidelity lab environment, using classified and thus unshareable datasets, or downloading low-fidelity public datasets made available by others. We propose an innovative solution to the problem by employing machine learning methods to generate high-fidelity data. Specifically, we propose the use of Generative Adversarial Networks (GANs) to generate high-fidelity data for cybersecurity purposes. GANs have found successful image processing and natural language applications, but have not yet been investigated for cyber data generation. Our proposed approach first involves training the `discriminator' network of the GAN with a sample of real-world data consisting of malicious and nominal samples. We then use the `generator' network to generate new high-fidelity data samples consisting of an appropriate mix of malicious and nominal activity. We demonstrate applications of our architecture by generating high-fidelity cybersecurity data containing both malicious and nominal samples. We thoroughly evaluate the fidelity of our generated data using heuristics and evaluate its usefulness for machine learning applications using three different datasets. Overall, our approach results in high-fidelity, shareable datasets.

Zhang, Yuening↗
DOE OSTI2020

Data-driven learning of nonlocal physics from high-fidelity synthetic data

A key challenge to nonlocal models is the analytical complexity of deriving them from first principles, and frequently their use is justified a posteriori. Here, we extract nonlocal models from data, circumventing these challenges and providing data-driven justification for the resulting model form. Extracting data-driven surrogates is a major challenge for machine learning (ML) approaches, due to nonlinearities and lack of convexity — it is particularly challenging to extract surrogates which are provably well-posed and numerically stable. Our scheme not only yields a convex optimization problem, but also allows extraction of nonlocal models whose kernels may be partially negative while maintaining well-posedness even in small-data regimes. To achieve this, based on established nonlocal theory, we embed in our algorithm sufficient conditions on the non-positive part of the kernel that guarantee well-posedness of the learnt operator. These conditions are imposed as inequality constraints to meet the requisite conditions of the nonlocal theory. We demonstrate this workflow for a range of applications, including reproduction of manufactured nonlocal kernels; numerical homogenization of Darcy flow associated with a heterogeneous periodic microstructure; nonlocal approximation to high-order local transport phenomena; and approximation of globally supported fractional diffusion operators by truncated kernels.

42 ENGINEERING↗
DOE OSTI2022

Accelerating Multiscale Materials Modeling with Machine Learning

The focus of this project is to accelerate and transform the workflow of multiscale materials modeling by developing an integrated toolchain seamlessly combining DFT, SNAP, LAMMPS, (shown in Figure 1-1) and a machine-learning (ML) model that will more efficiently extract information from a smaller set of first-principles calculations. Our ML model enables us to accelerate first-principles data generation by interpolating existing high fidelity data, and extend the simulation scale by extrapolating high fidelity data (10 2 atoms) to the mesoscale (10 4 atoms). It encodes the underlying physics of atomic interactions on the microscopic scale by adapting a variety of ML techniques such as deep neural networks (DNNs), and graph neural networks (GNNs). We developed a new surrogate model for density functional theory using deep neural networks. The developed ML surrogate is demonstrated in a workflow to generate accurate band energies, total energies, and density of the 298K and 933K Aluminum systems. Furthermore, the models can be used to predict the quantities of interest for systems with more number of atoms than the training data set. We have demonstrated that the ML model can be used to compute the quantities of interest for systems with 100,000 Al atoms. When compared with 2000 Al system the new surrogate model is as accurate as DFT, but three orders of magnitude faster. We also explored optimal experimental design techniques to choose the training data and novel Graph Neural Networks to train on smaller data sets. These are promising methods that need to be explored in the future.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Multifidelity deep operator networks for data-driven and physics-informed problems

Operator learning for complex nonlinear systems is increasingly common in modeling multi-physics and multi-scale systems. However, training such high-dimensional operators requires a large amount of expensive, high-fidelity data, either from experiments or simulations. In this work, we present a composite Deep Operator Network (DeepONet) for learning using two datasets with different levels of fidelity to accurately learn complex operators when sufficient high-fidelity data is not available. Additionally, we demonstrate that the presence of low-fidelity data can improve the predictions of physics-informed learning with DeepONets. We demonstrate the new multi-fidelity training in diverse examples, including modeling of the ice-sheet dynamics of the Humboldt glacier, Greenland, using two different fidelity models and also using the same physical model at two different resolutions.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Towards multi-fidelity deep learning of wind turbine wakes

We report engineering wake models that accurately predict wake in a computationally efficient manner are very important for tasks such as layout optimization and control of wind farms. In this paper, we explore an application of deep learning (DL) to learn the wake model from hierarchies of physics-based approaches ranging from analytical models to an approximate form of the Reynolds-averaged Navier-Stokes equations. We first illustrate the application of principal component analysis to obtain a lower-dimensional representation that allows a computationally tractable training and deployment of DL models. Then, the DL model is trained to learn the mapping from input parameter space to the principal components, which are then used to reconstruct the three-dimensional flow field. Additionally, we investigate a composite framework consisting of two neural networks to learn the correlation between low- and high-fidelity data with Gauss and curl models treated as proxies for low- and high-fidelity models, respectively. The prediction from both DL models matches well with the high-fidelity data with a maximum relative percentage error for the kinetic energy flux of <1%. This work opens up possibilities for data-efficient construction of surrogate models for wake prediction that can be used to study the influence of wind speed and yaw angles on wind farm power production.

17 WIND ENERGY↗
NASA NTRS2016

Multi-Disciplinary, Multi-Fidelity Discrete Data Transfer Using Degenerate Geometry Forms

In a typical multi-fidelity design process, different levels of geometric abstraction are used for different analysis methods, and transitioning from one phase of design to the next often requires a complete re-creation of the geometry. To maintain consistency between lower-order and higher-order analysis results, Vehicle Sketch Pad (OpenVSP) recently introduced the ability to generate and export several degenerate forms of the geometry, representing the type of abstraction required to perform low- to medium-order analysis for a range of aeronautical disciplines. In this research, the functionality of these degenerate models was extended, so that in addition to serving as repositories for the geometric information that is required as input to an analysis, the degenerate models can also store the results of that analysis mapped back onto the geometric nodes. At the same time, the results are also mapped indirectly onto the nodes of lower-order degenerate models using a process called aggregation, and onto higher-order models using a process called disaggregation. The mapped analysis results are available for use by any subsequent analysis in an integrated design and analysis process. A simple multi-fidelity analysis process for a single-aisle subsonic transport aircraft is used as an example case to demonstrate the value of the approach.

Olson, Erik D.↗
NASA NTRS2022

Framework for Estimating Performance and Associated Uncertainty for Modified Aircraft Configurations

Flight testing has been the historical standard for determining aircraft airworthiness - however, increases in the cost of flight testing and the accuracy of inexpensive CFD promote certification by analysis to reduce or replace flight testing. A framework is introduced to predict the performance in the special case of a modification to an existing, previously certified aircraft. This framework uses a combination of existing flight test or high fidelity data of the original aircraft as well as lower fidelity data of the original and modified configurations. Two methods are presented which estimate the model form uncertainty of the modified configuration, which is then used to conduct non-deterministic simulations. The framework is applied to an example aircraft system with simulated flight test data to demonstrate the ability to predict the performance and associated uncertainty of modified aircraft configurations. However, it is important that the models and methods used are applicable and accurate throughout the intended use domain. The factors and limitations of the framework are explored to determine the range of applicability of the framework. The effects of these factors on the performance and uncertainty results are demonstrated using the example aircraft system. The framework is then applied to NASA’s X-57 Maxwell and each of its modifications. The estimated performance and associated uncertainties are then compared to the airworthiness criteria to evaluate the potential of the framework as a component to the certification by analysis process.

Uncertainty Quantification↗
NASA NTRS2022

Framework for Estimating Performance and Associated Uncertainty for Modified Aircraft Configurations

Flight testing has been the historical standard for determining aircraft airworthiness. However, increases in the cost of flight testing and the accuracy of inexpensive CFD encourage the adoption of certification by analysis to reduce or replace flight testing. A framework is introduced to predict the performance in the special case of a modification to an existing, previously certified aircraft. This framework uses a combination of existing flight tests or high fidelity data of the original aircraft as well as lower fidelity data from CFD or wind tunnel testing of the original and modified configurations to create 6-DOF flight dynamics models. Two methods are presented which generate an updated flight dynamics model and estimate the model form uncertainty for the modified aircraft configuration using knowledge of the original aircraft. This updated dynamics model and uncertainty estimate are then used to conduct non-deterministic simulations with wind turbulence included. The framework is applied to an example aircraft system to demonstrate the ability to predict the performance and associated model from the uncertainty of modified aircraft configurations.

uncertainty quantification↗
DOE OSTI2023

Feature-adjacent multi-fidelity physics-informed machine learning for partial differential equations

Physics-informed neural networks have emerged as an alternative method for solving partial differential equations. However, for complex problems, the training of such networks can still require high-fidelity data which can be expensive to generate. To reduce or even eliminate the dependency on high-fidelity data, we propose a novel multi-fidelity architecture which is based on a feature space shared by the low- and high-fidelity solutions. In the feature space, the projections of the low-fidelity and high-fidelity solutions are adjacent by constraining their relative distance. The feature space is represented with an encoder and its mapping to the original solution space is effected through a decoder. In conclusion, the proposed multi-fidelity approach is validated on forward and inverse problems for steady and unsteady problems described by partial differential equations.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Machine learning for impurity charge-state transition levels in semiconductors from elemental properties using multi-fidelity datasets

Quantifying charge-state transition energy levels of impurities in semiconductors is critical to understanding and engineering their optoelectronic properties for applications ranging from solar photovoltaics to infrared lasers. While these transition levels can be measured and calculated accurately, such efforts are time-consuming and more rapid prediction methods would be beneficial. Here, we significantly reduce the time typically required to predict impurity transition levels using multi-fidelity datasets and a machine learning approach employing features based on elemental properties and impurity positions. We use transition levels obtained from low-fidelity (i.e., local-density approximation or generalized gradient approximation) density functional theory (DFT) calculations, corrected using a recently proposed modified band alignment scheme, which well-approximates transition levels from high-fidelity DFT (i.e., hybrid HSE06). Further, the model fit to the large multi-fidelity database shows improved accuracy compared to the models trained on the more limited high-fidelity values. Crucially, in our approach, when using the multi-fidelity data, high-fidelity values are not required for model training, significantly reducing the computational cost required for training the model. Our machine learning model of transition levels has a root mean squared (mean absolute) error of 0.36 (0.27) eV vs high-fidelity hybrid functional values when averaged over 14 semiconductor systems from the II–VI and III–V families. As a guide for use on other systems, we assessed the model on simulated data to show the expected accuracy level as a function of bandgap for new materials of interest. Finally, we use the model to predict a complete space of impurity charge-state transition levels in all zinc blende III–V and II–VI systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗