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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Noise Robustness and Experimental Demonstration of a Quantum Generative Adversarial Network for Continuous Distributions

Abstract The potential advantage of machine learning in quantum computers is a topic of intense discussion in the literature. Theoretical, numerical, and experimental explorations will most likely be required to understand its power. There have been different algorithms proposed to exploit the probabilistic nature of variational quantum circuits for generative modeling. In this paper, a hybrid architecture for quantum generative adversarial networks (QGANs) is employed and their robustness in the presence of noise is studied. A simple way of adding different types of noise to the quantum generator circuit is devised, and the noisy hybrid QGANs (HQGANs) are simulated numerically to learn continuous probability distributions, and to show that the performance of HQGANs remains unaffected. The effect of different parameters on the training time is also investigated to reduce the computational scaling of the algorithm and simplify its deployment on a quantum computer. The training on Rigetti's Aspen‐4‐2Q‐A quantum processing unit is then performed, and the results from the training are presented. The authors' results pave the way for experimental exploration of different quantum machine learning algorithms on noisy intermediate‐scale quantum devices.

Anand, Abhinav↗
DOE OSTI2021

ForSE: A GAN-based Algorithm for Extending CMB Foreground Models to Subdegree Angular Scales

We present ForSE (Foreground Scale Extender), a novel Python package that aims to overcome the current limitations in the simulation of diffuse Galactic radiation, in the context of cosmic microwave background (CMB) experiments. ForSE exploits the ability of generative adversarial neural networks (GANs) to learn and reproduce complex features present in a set of images, with the goal of simulating realistic and non-Gaussian foreground radiation at subdegree angular scales. This is of great importance in order to estimate the foreground contamination to lensing reconstruction, delensing, and primordial B-modes for future CMB experiments. We applied this algorithm to Galactic thermal dust emission in both total intensity and polarization. Our results show how ForSE is able to generate small-scale features (at 12') having as input the large-scale ones (80'). The injected structures have statistical properties, evaluated by means of the Minkowski functionals, in good agreement with those of the real sky and which show the correct amplitude scaling as a function of the angular dimension. Furthermore, the obtained thermal dust Stokes Q and U full-sky maps as well as the ForSE package are publicly available for download.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

FeederGAN: Synthetic Feeder Generation via Deep Graph Adversarial Nets

This paper presents a novel, automated, generative adversarial networks (GAN) based synthetic feeder generation mechanism, abbreviated as FeederGAN. FeederGAN digests real feeder models represented by directed graphs via a deep learning framework powered by GAN and graph convolutional networks (GCN). Information of a distribution feeder circuit is extracted from its model input files so that the device connectivity is mapped onto the adjacency matrix and the device characteristics, such as circuit types (i.e., 3-phase, 2-phase, and 1-phase) and component attributes (e.g., length and current ratings), are mapped onto the attribute matrix. Then, Wasserstein distance is used to optimize the GAN and GCN is used to discriminate the generated graphs from the actual ones. A greedy method based on graph theory is developed to reconstruct the feeder using the generated adjacency and attribute matrices. Furthermore, our results show that the GAN generated feeders resemble the actual feeder in both topology and attributes verified by visual inspection and by empirical statistics obtained from actual distribution feeders.

42 ENGINEERING↗
NASA NTRSDate not supplied

Data Augmentation for Intelligent Contingency Management Using Generative Adversarial Neural Networks

Artificial intelligence (AI)-based techniques for intelligent contingency management (ICM) require that intelligent agents learn various aspects of system dynamics to create and execute contingencies. For high assurance contingency management, agents achieve the most compelling results through supervised or semi-supervised machine learning, for which agents require large datasets to learn the dynamics of the system. Unfortunately, data collection in aerospace applications can be costly, due to both time and resources. Presented work describes a framework for data augmentation of ICM databases containing training data for machine learning models. This framework populates the database with the outputs of generative adversarial network (GAN) models that were trained on flight data. Methods for evaluating the suitability of these models based on the equations of motion, as well as other physical constraints, are discussed. The paper demonstrates the utility of this database for training intelligent agents on the NASA T2 generic transport aircraft model and experimental vertical takeoff and landing (VTOL) simulation model.

Generative Machine Learning↗
NASA NTRSDate not supplied

Data Augmentation for Intelligent Contingency Management Using Generative Adversarial Neural Networks

Artificial intelligence (AI)-based techniques for intelligent contingency management (ICM) require that intelligent agents learn various aspects of system dynamics to create and execute contingencies. For high assurance contingency management, agents achieve the most compelling results through supervised or semi-supervised machine learning, for which agents require large datasets to learn the dynamics of the system. Unfortunately, data collection in aerospace applications can be costly, due to both time and resources. Presented work describes a framework for data augmentation of ICM databases containing training data for machine learning models. This framework populates the database with the outputs of generative adversarial network (GAN) models that were trained on flight data. Methods for evaluating the suitability of these models based on the equations of motion, as well as other physical constraints, are discussed. The paper demonstrates the utility of this database for training intelligent agents on the NASA T2 generic transport aircraft model and experimental vertical takeoff and landing (VTOL) simulation model.

Generative Machine Learning↗
DOE OSTI2023

Parameters, Properties, and Process: Conditional Neural Generation of Realistic SEM Imagery Toward ML-Assisted Advanced Manufacturing

Abstract The research and development cycle of advanced manufacturing processes traditionally requires a large investment of time and resources. Experiments can be expensive and are hence conducted on relatively small scales. This poses problems for typically data-hungry machine learning tools which could otherwise expedite the development cycle. We build upon prior work by applying conditional generative adversarial networks (GANs) to scanning electron microscope (SEM) imagery from an emerging advanced manufacturing process, shear-assisted processing and extrusion (ShAPE). We generate realistic images conditioned on temper and either experimental parameters or material properties. In doing so, we are able to integrate machine learning into the development cycle, by allowing a user to immediately visualize the microstructure that would arise from particular process parameters or properties. This work forms a technical backbone for a fundamentally new approach for understanding manufacturing processes in the absence of first-principle models. By characterizing microstructure from a topological perspective, we are able to evaluate our models’ ability to capture the breadth and diversity of experimental scanning electron microscope (SEM) samples. Our method is successful in capturing the visual and general microstructural features arising from the considered process, with analysis highlighting directions to further improve the topological realism of our synthetic imagery.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Super Resolution for Renewable Energy Resource Data With Wind From Reanalysis Data (Sup3rWind) and Application to Ukraine [Slides]

In this work we present a novel deep learning-based downscaling method, using generative adversarial networks (GANs), for generating high-resolution wind resource data from ECMWF Reanalysis v5 data (ERA5). We show that by training a GAN model on ERA5, as opposed to coarsened high-resolution data, we achieve results that are competitive with conventional dynamical downscaling. This GAN-based downscaling method additionally reduces computational costs over dynamical downscaling by two orders of magnitude. All GANs are trained on data sampled from CONUS, selected to provide a diverse sampling of terrain conditions, and validated on observational data along with data held out from training. This cross-validation shows low error and high correlations with observations and excellent agreement with hold out data across physical distributions. Our approach is finally used to downscale 30km hourly ERA5 to 2-km 5-minute wind data, for January 2000 through December 2023, at multiple hub heights, over Ukraine, Moldova, and part of Romania. Comparisons against observational data from Meteorological Assimilation Data Ingest System (MADIS) and multiple wind farms show the same level of performance as for CONUS validation. This 24 year data record is the first member of the "super resolution for renewable energy resource data with wind from reanalysis data" dataset (Sup3rWind).

17 WIND ENERGY↗
DOE OSTI2024

Deep Generative Models for Fast Photon Shower Simulation in ATLAS

The need for large-scale production of highly accurate simulated event samples for the extensive physics programme of the ATLAS experiment at the Large Hadron Collider motivates the development of new simulation techniques. Building on the recent success of deep learning algorithms, variational autoencoders and generative adversarial networks are investigated for modelling the response of the central region of the ATLAS electromagnetic calorimeter to photons of various energies. The properties of synthesised showers are compared with showers from a full detector simulation using GEANT4 . Both variational autoencoders and generative adversarial networks are capable of quickly simulating electromagnetic showers with correct total energies and stochasticity, though the modelling of some shower shape distributions requires more refinement. This feasibility study demonstrates the potential of using such algorithms for ATLAS fast calorimeter simulation in the future and shows a possible way to complement current simulation techniques.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

High-precision inversion of dynamic radiography using hydrodynamic features

While radiography is routinely used to probe complex, evolving density fields in research areas ranging from materials science to shock physics to inertial confinement fusion and other national security applications, complications resulting from noise, scatter, complex beam dynamics, etc. prevent current methods of reconstructing density from being accurate enough to identify the underlying physics with sufficient confidence. In this work, we show that using only features that are robustly identifiable in radiographs and combining them with the underlying hydrodynamic equations of motion using a machine learning approach of a conditional generative adversarial network (cGAN) provides a new and effective approach to determine density fields from a dynamic sequence of radiographs. In particular, we demonstrate the ability of this method to outperform a traditional, direct radiograph to density reconstruction in the presence of scatter, even when relatively small amounts of scatter are present. Our experiments on synthetic data show that the approach can produce high quality, robust reconstructions. We also show that the distance (in feature space) between a testing radiograph and the training set can serve as a diagnostic of the accuracy of the reconstruction.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Generative adversarial networks (GAN) based efficient sampling of chemical composition space for inverse design of inorganic materials

A major challenge in materials design is how to efficiently search the vast chemical design space to find the materials with desired properties. One effective strategy is to develop sampling algorithms that can exploit both explicit chemical knowledge and implicit composition rules embodied in the large materials database. Here, we propose a generative machine learning model (MatGAN) based on a generative adversarial network (GAN) for efficient generation of new hypothetical inorganic materials. Trained with materials from the ICSD database, our GAN model can generate hypothetical materials not existing in the training dataset, reaching a novelty of 92.53% when generating 2 million samples. The percentage of chemically valid (charge-neutral and electronegativity-balanced) samples out of all generated ones reaches 84.5% when generated by our GAN trained with such samples screened from ICSD, even though no such chemical rules are explicitly enforced in our GAN model, indicating its capability to learn implicit chemical composition rules to form compounds. Our algorithm is expected to be used to greatly expand the range of the design space for inverse design and large-scale computational screening of inorganic materials.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Diffusion-Model-Assisted Supervised Learning of Generative Models for Density Estimation

Here, we present a supervised learning framework of training generative models for density estimation. Generative models, including generative adversarial networks (GANs), normalizing flows, and variational auto-encoders (VAEs), are usually considered as unsupervised learning models, because labeled data are usually unavailable for training. Despite the success of the generative models, there are several issues with the unsupervised training, e.g., requirement of reversible architectures, vanishing gradients, and training instability. To enable supervised learning in generative models, we utilize the score-based diffusion model to generate labeled data. Unlike existing diffusion models that train neural networks to learn the score function, we develop a training-free score estimation method. This approach uses mini-batch-based Monte Carlo estimators to directly approximate the score function at any spatial-temporal location in solving an ordinary differential equation (ODE), corresponding to the reverse-time stochastic differential equation (SDE). This approach can offer both high accuracy and substantial time savings in neural network training. Once the labeled data are generated, we can train a simple, fully connected neural network to learn the generative model in the supervised manner. Compared with existing normalizing flow models, our method does not require the use of reversible neural networks and avoids the computation of the Jacobian matrix. Compared with existing diffusion models, our method does not need to solve the reverse-time SDE to generate new samples. As a result, the sampling efficiency is significantly improved. We demonstrate the performance of our method by applying it to a set of 2D datasets as well as real data from the University of California Irvine (UCI) repository.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Utilization of Synthetic Near-Infrared Spectra via Generative Adversarial Network to Improve Wood Stiffness Prediction

Near-infrared (NIR) spectroscopy is widely used as a nondestructive evaluation (NDE) tool for predicting wood properties. When deploying NIR models, one faces challenges in ensuring representative training data, which large datasets can mitigate but often at a significant cost. Machine learning and deep learning NIR models are at an even greater disadvantage because they typically require higher sample sizes for training. In this study, NIR spectra were collected to predict the modulus of elasticity (MOE) of southern pine lumber (training set = 573 samples, testing set = 145 samples). To account for the limited size of the training data, this study employed a generative adversarial network (GAN) to generate synthetic NIR spectra. The training dataset was fed into a GAN to generate 313, 573, and 1000 synthetic spectra. The original and enhanced datasets were used to train artificial neural networks (ANNs), convolutional neural networks (CNNs), and light gradient boosting machines (LGBMs) for MOE prediction. Overall, results showed that data augmentation using GAN improved the coefficient of determination (R 2 ) by up to 7.02% and reduced the error of predictions by up to 4.29%. ANNs and CNNs benefited more from synthetic spectra than LGBMs, which only yielded slight improvement. All models showed optimal performance when 313 synthetic spectra were added to the original training data; further additions did not improve model performance because the quality of the datapoints generated by GAN beyond a certain threshold is poor, and one of the main reasons for this can be the size of the initial training data fed into the GAN. LGBMs showed superior performances than ANNs and CNNs on both the original and enhanced training datasets, which highlights the significance of selecting an appropriate machine learning or deep learning model for NIR spectral-data analysis. The results highlighted the positive impact of GAN on the predictive performance of models utilizing NIR spectroscopy as an NDE technique and monitoring tool for wood mechanical-property evaluation. Further studies should investigate the impact of the initial size of training data, the optimal number of generated synthetic spectra, and machine learning or deep learning models that could benefit more from data augmentation using GANs.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Loosely Conditioned Emulation of Global Climate Models With Generative Adversarial Networks

Climate models encapsulate our best understanding of the Earth system, allowing research to be conducted on its future under alternative assumptions of how human-driven climate forces are going to evolve. An important application of climate models is to provide metrics of mean and extreme climate changes, particularly under these alternative future scenarios, as these quantities drive the impacts of climate on society and natural systems. Because of the need to explore a wide range of alternative scenarios and other sources of uncertainties in a computationally efficient manner, climate models can only take us so far, as they require significant computational resources, especially when attempting to characterize extreme events, which are rare and thus demand long and numerous simulations in order to accurately represent their changing statistics. Here we use deep learning in a proof of concept that lays the foundation for emulating global climate model output for different scenarios. We train two "loosely conditioned" Generative Adversarial Networks (GANs) that emulate daily precipitation output from a fully coupled Earth system model: one GAN modeling Fall-Winter behavior and the other Spring-Summer. Our GANs are trained to produce spatiotemporal samples: 32 days of precipitation over a 64x128 regular grid discretizing the globe. We evaluate the generator with a set of related performance metrics based upon KL divergence, and find the generated samples to be nearly as well matched to the test data as the validation data is to test. We also find the generated samples to accurately estimate the mean number of dry days and mean longest dry spell in the 32 day samples. Our trained GANs can rapidly generate numerous realizations at a vastly reduced computational expense, compared to large ensembles of climate models, which greatly aids in estimating the statistics of extreme events.

climate emulation, extreme climate, impacts, machi↗
DOE OSTI2024

Stochastic representation and conditioning of process-based geological model by deep generative and recognition networks

Accurate and realistic geological modeling is the core of oil and gas development and production. In recent years, process-based methods are developed to produce highly realistic geological models by simulating the physical processes that reproduce the sedimentary events and develop the geometry. However, the complex dynamic processes are extremely expensive to simulate, making process-based models difficult to be conditioned to field data. In this work, we propose a comprehensive generative adversarial network framework as a machine-learning-assisted approach for mimicking the outputs of process-based geological models with fast generation. The main objective of our work is to obtain a continuous parametrization of the highly realistic process-based geological models which enables us to calibrate the models and condition the models to data. Numerical results are presented to illustrate the capability of our proposed methodology.

58 GEOSCIENCES↗
DOE OSTI2022

$\mathrm{IH}$-$\mathrm{GAN}$: A conditional generative model for implicit surface-based inverse design of cellular structures

Variable-density cellular structures can overcome connectivity and manufacturability issues of topologically optimized structures, particularly those represented as discrete density maps. However, the optimization of such cellular structures is challenging due to the multiscale design problem. Past work addressing this problem generally either only optimizes the volume fraction of single-type unit cells but ignoring the effects of unit cell geometry on properties, or considers the geometry–property relation but builds this relation via heuristics. In contrast, we propose a simple yet more principled way to accurately model the property to geometry mapping using a conditional deep generative model, named Inverse Homogenization Generative Adversarial Network (IH-GAN). It learns the conditional distribution of unit cell geometries given properties and can realize the one-to-many mapping from properties to geometries. Here we further reduce the complexity of IH-GAN by using the implicit function parameterization to represent unit cell geometries. Results show that our method can 1) generate various unit cells that satisfy given material properties with high accuracy (R 2 -scores between target properties and properties of generated unit cells >98%) and 2) improve the optimized structural performance over the conventional variable-density single-type structure. In the minimum compliance example, our IH-GAN generated structure achieves a 79.7% reduction in concentrated stress and an extra 3.03% reduction in displacement. In the target deformation examples, our IH-GAN generated structure reduces the target matching error by 86.4% and 79.6% for two test cases, respectively. We also demonstrated that the connectivity issue for multi-type unit cells can be solved by transition layer blending.

42 ENGINEERING↗
DOE OSTI2022

Synthetic Data Generation Using Machine Learning

Robust machine learning techniques for image analysis require a substantial amount of data to yield confident results. In the nuclear domain, data scarcity is a substantial challenge because there are so few facilities worldwide. This research focuses on being able alleviate the data scarcity problem by generating synthetic data to bridge the gap between large and small datasets. This work achieves that goal using a Generative Adversarial Network (GAN) architectural approach, by training a model on real-world data and expands that small dataset through synthetic data amendments. Model performance is impacted by the size of the real-world dataset and the number of training epochs utilized. This means that 1) It is important to develop your GAN to be optimized with the specific data type, and 2) approaches taken when training the GAN should be specialized to encompass important aspects of the dataset that it is generating. By taking a step to improve dataset sizes in this way, the gap between models trained by parties with significant amount of data and those without access to large data, closes, allowing for robust analyses of satellite imagery for nuclear domain applications.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2020

miniGAN: A Generative Adversarial Network proxy application WBS 2.2.6.08 ECP-2.1.3 (Q3 FY2020 Milestone Report) (V.1.0)

In order to support the machine learning co-design needs of ECP applications in current and future DOE HPC hardware, we have developed a generative adversarial network (GAN) proxy application, miniGAN, that has been released through the ECP proxy application suite. The proxy application is representative of the needs of ExaLearn's target applications, specifically the Cosmoflow and ExaGAN cosmology applications and the ExaWind energy application. The proxy application also demonstrates the first use of performance portable kernels within widely-used machine learning frameworks: PyTorch (Facebook) and Horovod (Uber). We provide performance scaling results for similar workloads to ExaGAN and a profile of individual GAN training components.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Machine learning for domain transfer between simulated and experimental 2D X-ray diffraction patterns using generative adversarial networks

X-ray diffraction (XRD) is a well-established technique for analyzing materials at an atomic level. Dynamic compression experiments (DCE), in which materials are subject to extreme pressures, can provide fundamental understanding to pressure-induced phase transitions and compression of the crystal lattice. The analysis of XRD patterns from highly compressed samples is non-trivial given the sparsity of data, high experimental costs, and the fact that the data is often marred with X-ray background and other artifacts. While accurate computational frameworks exist, they solve the forward problem—from structures and orientations to XRD patterns. Solving the inverse problem for 2D experimental diffraction patterns is currently a complex manual process of matching and comparing experimentally observed patterns to computationally generated ones. Machine learning is a promising tool for automating the matching process but often requires data-intensive architectures. Here, in this study, we use a CycleGAN to translate the domain of limited experimental data to a domain in which there is readily available simulated data. This domain shift allows data-intensive machine learning models that have only been trained on simulated XRD patterns to be used in the analysis of experiments.

Brozak, Samantha Jean [Sandia National Laboratorie↗