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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 271 records · Page 15
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Leveraging generative artificial intelligence to bridge domain gaps in wind turbine research

A central challenge in wind turbine health monitoring is the scarcity of real-world data due to limited instrumentation, leading researchers to rely on simulation models that often suffer from reduced fidelity. However, even within simulation environments, discrepancies arise because of modeling assumptions, and configuration fidelities, creating domain gaps that limit the transferability of learned representations. Here, to investigate domain translation under controlled conditions, this project explores the use of generative artificial intelligence, specifically cycle-consistent generative adversarial networks (CGANs), to bridge the gap between OpenFAST simulation models representing 1.5 MW and 5 MW wind turbines. A physics-informed CGAN architecture is introduced, where a simplified turbine tower dynamics model is incorporated into the training loss to ensure physically consistent outputs. Quantitative results showed moderate to high agreement in frequency-domain features. Incorporating the physics-informed loss function improved the R 2 values by 30%, reduced the RMSE from 1.39 to 1.1 m/s 2 , and reduced training time by 82%. Furthermore, under increased turbulence intensity (IEC Category A), the RMSE remained stable at approximately 1.1 m/s 2 . While the present study is entirely simulation-based, it establishes a pipeline for evaluating physics-informed generative domain translation, which may serve as a foundation for future simulation-to-reality validation studies.

17 WIND ENERGY↗
DOE OSTI2022

Physics-driven learning of Wasserstein GAN for density reconstruction in dynamic tomography

Object density reconstruction from projections containing scattered radiation and noise is of critical importance in many applications. Existing scatter correction and density reconstruction methods may not provide the high accuracy needed in many applications and can break down in the presence of unmodeled or anomalous scatter and other experimental artifacts. Incorporating machine-learning models could prove beneficial for accurate density reconstruction, particularly in dynamic imaging, where the time evolution of the density fields could be captured by partial differential equations or by learning from hydrodynamics simulations. In this work, we demonstrate the ability of learned deep neural networks to perform artifact removal in noisy density reconstructions, where the noise is imperfectly characterized. Here, we use a Wasserstein generative adversarial network (WGAN), where the generator serves as a denoiser that removes artifacts in densities obtained from traditional reconstruction algorithms. We train the networks from large density time-series datasets, with noise simulated according to parametric random distributions that may mimic noise in experiments. The WGAN is trained with noisy density frames as generator inputs, to match the generator outputs to the distribution of clean densities (time series) from simulations. A supervised loss is also included in the training, which leads to an improved density restoration performance. In addition, we employ physics-based constraints such as mass conservation during the network training and application to further enable highly accurate density reconstructions. Our preliminary numerical results show that the models trained in our frameworks can remove significant portions of unknown noise in density time-series data.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Security-by-Design: Light Water Small Modular Reactor

The growing demand for nuclear power is increasing pressure to find solutions to cost prohibitive requirements of both construction and security. Offsite response has been proposed as an option to reduce costs associated with training and maintaining an onsite response force. A previous report explored this option and revealed that security could be provided at the required level, but cost savings was not a result of this methodology. An offsite response strategy required costly active and passive delay barriers to provide sufficient time for responders to muster and deploy to a site in time to interrupt a determined and well-equipped adversary. Also, contrary to the hypothesis, the number of responders required for this strategy exceeded that needed for an onsite response force, as the adversaries could avail themselves of advantageous positions within the facility to repel arriving responders. This report builds upon the previous evaluation by using the same hypothetical light water small modular reactor (LWSMR) facility model, but this time an onsite response strategy was assessed. The goal of this analysis was to show that an onsite response strategy could be implemented effectively at a cost point that removes barriers within the industry at this critical time of growth and development. The assessment of the facility design and response strategy was completed through modeling using Scribe3D© and subsequent scenario analysis over the course of a two-day tabletop exercise. Subject matter experts in nuclear security, nuclear facility design, and response strategy and tactics contributed to the effort to ensure accurate representation of hypothetical scenarios. Several adaptations were made to the layout of the LWSMR based on lessons learned during the first day of scenario analysis. The subsequent design evaluated on the second day proved to provide a robust response posture against a large and well-trained adversary force. This report details the process of the analysis and compares the cost of the final facility design with that of the LWSMR model used for evaluation of offsite response. Ultimately, the results of this effort indicate that, when implemented correctly, an onsite response strategy is the best option from a security and cost perspective.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2022

End-to-end learning of multiple sequence alignments with differentiable Smith–Waterman

Abstract Motivation Multiple sequence alignments (MSAs) of homologous sequences contain information on structural and functional constraints and their evolutionary histories. Despite their importance for many downstream tasks, such as structure prediction, MSA generation is often treated as a separate pre-processing step, without any guidance from the application it will be used for. Results Here, we implement a smooth and differentiable version of the Smith–Waterman pairwise alignment algorithm that enables jointly learning an MSA and a downstream machine learning system in an end-to-end fashion. To demonstrate its utility, we introduce SMURF (Smooth Markov Unaligned Random Field), a new method that jointly learns an alignment and the parameters of a Markov Random Field for unsupervised contact prediction. We find that SMURF learns MSAs that mildly improve contact prediction on a diverse set of protein and RNA families. As a proof of concept, we demonstrate that by connecting our differentiable alignment module to AlphaFold2 and maximizing predicted confidence, we can learn MSAs that improve structure predictions over the initial MSAs. Interestingly, the alignments that improve AlphaFold predictions are self-inconsistent and can be viewed as adversarial. This work highlights the potential of differentiable dynamic programming to improve neural network pipelines that rely on an alignment and the potential dangers of optimizing predictions of protein sequences with methods that are not fully understood. Availability and implementation Our code and examples are available at: https://github.com/spetti/SMURF. Supplementary information Supplementary data are available at Bioinformatics online.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Measuring Equality in Machine Learning Security Defenses: A Case Study in Speech Recognition

Over the past decade, the machine learning security community has developed a myriad of defenses for evasion attacks. An understudied question in that community is: for whom do these defenses defend? This work considers common approaches to defending learned systems and how security defenses result in performance inequities across different sub-populations. We outline appropriate parity metrics for analysis and begin to answer this question through empirical results of the fairness implications of machine learning security methods. We find that many methods that have been proposed can cause direct harm, like false rejection and unequal benefits from robustness training. The framework we propose for measuring defense equality can be applied to robustly trained models, preprocessing-based defenses, and rejection methods. We identify a set of datasets with a user-centered application and a reasonable computational cost suitable for case studies in measuring the equality of defenses. In our case study of speech command recognition, we show how such adversarial training and augmentation have non-equal but complex protections for social subgroups across gender, accent, and age in relation to user coverage. We present a comparison of equality between two rejection-based defenses: randomized smoothing and neural rejection, finding randomized smoothing more equitable due to the sampling mechanism for minority groups. This represents the first work examining the disparity in the adversarial robustness in the speech domain and the fairness evaluation of rejection-based defenses.

• Artificial intelligence (AI) / machine learning ↗
DOE OSTI2023

Application of Quantum Machine Learning to High Energy Physics Analysis at LHC using IBM Quantum Computer Simulators and IBM Quantum Computer Hardware

Our group pioneers the use of Quantum Machine Learning (QML) on High Energy Physics analysis at LHC. We have successfully employed several QML classification algorithms in the ttH (Higgs production in association with a top quark pair) and Higgs to two muons (Higgs coupling to second generation fermions), two recent LHC flagship physics analysis, on gate-model quantum computer simulators and hardware. The simulation studies have been performed with the IBM Quantum Framework, Google Tensorflow Quantum Framework, and Amazon Braket Framework, and we have achieved good classification performance that is similar to the performances of the classical machine learning methods currently used in LHC physics analyses, classical SVM, classical BDT, and classical deep neural network for example. We have also performed our studies using IBM superconducting quantum computer hardware and the performance is promising and is approaching the performance from IBM quantum simulators. Moreover, we extend our studies to other QML areas such as quantum anomaly detection and quantum generative adversarial, and some preliminary results have been obtained. Also, we have overcome the challenges of intensive computing resources in the cases of large qubits (25 qubits or more) and large numbers of events using NVIDIA cuQuantum with NERSC Perlmutter HPC. Our studies give an example that Quantum Machine Learning performs as well as its classical counterpart for realistic High Energy Physics analysis datasets. Furthermore, our result on noisy quantum hardware provides important validation for the result on noiseless quantum simulators.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

ESM data downscaling: a comparison of super-resolution deep learning models

Abstract Climate projections at fine spatial resolutions are required to conduct accurate risk assessment for critical infrastructure and design adaptation planning. Generating these projections using advanced Earth system models (ESM) requires significant computational resources. To address this issue, various statistical downscaling techniques have been introduced to generate fine-resolution data from coarse-resolution simulations. In this study, we evaluate and compare five deep learning-based downscaling techniques, namely, super-resolution convolutional neural networks, fast super-resolution convolutional neural network ESM, efficient sub-pixel convolutional neural network, enhanced deep residual network (EDRN), and super-resolution generative adversarial network (SRGAN). These techniques are applied to a dataset generated by the Energy Exascale Earth System Model (E3SM), focusing on key surface variables such as surface temperature, shortwave heat flux, and longwave heat flux. Models are trained and validated using paired fine-resolution (0.25 $$^{\circ }$$ ∘ ) and coarse-resolution (1 $$^{\circ }$$ ∘ ) monthly data obtained from a 9-year simulation. Next, blind testing is performed using monthly data obtained from two different years outside of the training and validation set. To evaluate the efficiency of each technique, different statistical metrics are used, including mean squared error (MSE), peak signal-to-noise ratio (PSNR), structural similarity index measure (SSIM), and learned perceptual image patch similarity (LPIPS). The results show that EDRN outperforms other algorithms in terms of PSNR, SSIM, and MSE, but struggles to capture fine-scale features in the data. In contrast, SRGAN, a generative model that uses perceptual loss, excels in capturing fine details at boundaries and internal structures, resulting in lower LPIPS than other methods.

Pawar, Nikhil M. (ORCID:0000000211613289)↗
NASA NTRS2020

NeMO-Net – The Neural Multi-Modal Observation & Training Network for Global Coral Reef Assessment

We present NeMO-Net, the Srst open-source deep convolutional neural network (CNN) and interactive learning and training software aimed at assessing the present and past dynamics of coral reef ecosystems through habitat mapping into 10 biological and physical classes. Shallow marine systems, particularly coral reefs, are under significant pressures due to climate change, ocean acidification, and other anthropogenic pressures, leading to rapid, often devastating changes, in these fragile and diverse ecosystems. Historically, remote sensing of shallow marine habitats has been limited to meter-scale imagery due to the optical effects of ocean wave distortion, refraction, and optical attenuation. NeMO-Net combines 3D cm-scale distortion-free imagery captured using NASA FluidCam and Fluid lensing remote sensing technology with low resolution airborne and spaceborne datasets of varying spatial resolutions, spectral spaces, calibrations, and temporal cadence in a supercomputer-based machine learning framework. NeMO-Net augments and improves the benthic habitat classification accuracy of low-resolution datasets across large geographic ad temporal scales using high-resolution training data from FluidCam.NeMO-Net uses fully convolutional networks based upon ResNet and ReSneNet to perform semantic segmentation of remote sensing imagery of shallow marine systems captured by drones, aircraft, and satellites, including WorldView and Sentinel. Deep Laplacian Pyramid Super-Resolution Networks (LapSRN) alongside Domain Adversarial Neural Networks (DANNs) are used to reconstruct high resolution information from low resolution imagery, and to recognize domain-invariant features across datasets from multiple platforms to achieve high classification accuracies, overcoming inter-sensor spatial, spectral and temporal variations.Finally, we share our online active learning and citizen science platform, which allows users to provide interactive training data for NeMO-Net in 2D and 3D, integrated within a deep learning framework. We present results from the PaciSc Islands including Fiji, Guam and Peros Banhos 1 1 2 1 3 1 where 24-class classification accuracy exceeds 91%.

Chirayath, Ved↗
NASA NTRSDate not supplied

An Inverse Chance-constrained Approach to the Calibration of Robust Models

This paper proposes a strategy to calibrate computational models according to uncertain input-output data. To this end, uncertainty in the data is first quantified by creating adversarial data sets. Samples drawn from such sets are then mapped from the input-output space to the parameter space using an inverse mapping. This mapping minimizes the collective output spread of an ensemble of point predictions while satisfying a set of individual data-matching requirements. The distribution of the resulting parameter points, which often exhibits strong parameter dependencies, is then modeled using sliced-normals. The chance-constrained formulation used to learn this distribution enables the analyst to trade-off a greater likelihood for most of the data against a lower likelihood for some of the data thereby relaxing the conservatism of the calibrated model. This formulation not only neglects the worst-performing quantiles of each adversarial distribution but also eliminates the potentially serious effects that outliers might have on the resulting model. This calibration approach not only has a considerably lower computational cost than the standard forward approach but it also allows for the identification of suitable distribution classes, which in turn yield better calibrated models.

Calibration↗
DOE OSTI2025

Cyber-Physical Tabletop Exercise for Small Modular Reactor Facilities

U.S. nuclear power facilities face increasing challenges in meeting dynamic security requirements caused by evolving and expanding threats while keeping costs reasonable to make nuclear energy competitive. This evolving threat landscape includes adversaries having offensive cyber capabilities to attack information technology (IT) systems and operation technology (OT) systems. These adversaries may have the ability to attack the physical protection system (PPS) networks with potential consequential impacts that could degrade the effectiveness of the PPS. These cyber attacks may also be used to attack the safety and operational systems used to operate and ensure the safety of the reactor. Additionally, adversaries may gain access to unmanned aerial systems (UAS) that may be used to provide reconnaissance and surveillance of the facility, provide information to the adversaries, and be equipped with kinetic capabilities such as explosives or weapons that can be used to directly attack the facility. The Department of Energy’s Office of Nuclear Energy’s Advanced Reactor Safeguards and Security (ARSS) program funded Sandia National Laboratories (SNL) and Idaho National Laboratory (INL) to develop a cyber-physical tabletop exercise (TTX). This exercise was conducted on a hypothetical small modular reactor (SMR) facility, and only considered a potential adversary cyber attack on the PPS to a physical attack on the hypothetical facility to achieve a radiological release. This cyber-physical TTX is meant to provide lessons learned to integrate the cyber security system design and the physical protection system (PPS) design to decrease design, operation, and maintenance costs as well as increase effectiveness for defending against design basis threat attacks at the facility. This TTX will also provide a framework and method for SMR and microreactor vendors to conduct their own cyber-physical TTX and gain impactful insights to improving the cyber and physical protection system design for their SMR or microreactor facility design.

42 ENGINEERING↗
DOE OSTI2022

Adversarial methods to reduce simulation bias in neutrino interaction event filtering at liquid argon time projection chambers

For current and future neutrino oscillation experiments using large liquid argon time projection chambers (LAr-TPCs), a key challenge is identifying neutrino interactions from the pervading cosmic-ray background. Rejection of such background is often possible using traditional cut-based selections, but this typically requires the prior use of computationally expensive reconstruction algorithms. This work demonstrates an alternative approach of using a 3D submanifold sparse convolutional network trained on low-level information from the scintillation light signal of interactions inside LAr-TPCs. This technique is applied to example simulations from ICARUS, the far detector of the short baseline neutrino program at Fermilab. The results of the network, show that cosmic background is reduced by up to 76.3% whilst neutrino interaction selection efficiency remains over 98.9%. We further present a way to mitigate potential biases from imperfect input simulations by applying domain adversarial neural networks (DANNs), for which modified simulated samples are introduced to imitate real data and a small portion of them are used for adversarial training. A series of mock-data studies are performed and demonstrate the effectiveness of using DANNs to mitigate biases, showing neutrino interaction selection efficiency performances significantly better than that achieved without the adversarial training.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRSDate not supplied

Analyzing Natural Language Context in Human-Machine Teaming using Supervised Machine Learning

Building a foundation for trustworthiness and trust verification in multi-asset teaming is the research challenge of Autonomy Teaming and TRAjectories for Complex Trusted Operational Reliability (ATTRACTOR). The Design Reference Mission (DRM) for ATTRACTOR is a search and rescue mission objective governed by a multi-member team consisting of human and machine operators. A crucial component to the effort is the communication between humans and autonomous agents throughout both planning and execution stages of the mission. Intuitive communication methods and modalities are posited as critical enablers for certifying trust and trustworthiness. This paper reports on the data collection and analysis conducted in support of the Human Informed Natural-language GANs Evaluation (HINGE)project to attain explainable and trusted communication between human-machine assets. Two identically curated image description datasets were acquired for HINGE, both consisting of two unique input modalities (typed vs. verbal) and retrieved in two distinct contexts (general vs. specific). The gathered datasets were assessed and compared using Parts-of-Speech (POS)features, sentence similarity metrics, and linguistic analysis. Then, the datasets were modeled and tested separately and in combination with one another using machine learning algorithms. The comparison and testing results reveal a superior dataset, by which a preferred context and input is understood, for generating image representations of missing persons using a Generative Adversarial Network (GAN).

Bryan A Barrows↗
DOE OSTI2021

Semi-supervised Bayesian Low-shot Learning

Deep neural networks (NNs) typically outperform traditional machine learning (ML) approaches for complicated, non-linear tasks. It is expected that deep learning (DL) should offer superior performance for the important non-proliferation task of predicting explosive device configuration based upon observed optical signature, a task which human experts struggle with. However, supervised machine learning is difficult to apply in this mission space because most recorded signatures are not associated with the corresponding device description, or “truth labels.” This is challenging for NNs, which traditionally require many samples for strong performance. Semi-supervised learning (SSL), low-shot learning (LSL), and uncertainty quantification (UQ) for NNs are emerging approaches that could bridge the mission gaps of few labels and rare samples of importance. NN explainability techniques are important in gaining insight into the inferential feature importance of such a complex model. In this work, SSL, LSL, and UQ are merged into a single framework, a significant technical hurdle not previously demonstrated. Exponential Average Adversarial Training (EAAT) and Pairwise Neural Networks (PNNs) are chosen as the SSL and LSL methods of choice. Permutation feature importance (PFI) for functional data is used to provide explainability via the Variable importance Explainable Elastic Shape Analysis (VEESA) pipeline. A variety of uncertainty quantification approaches are explored: Bayesian Neural Networks (BNNs), ensemble methods, concrete dropout, and evidential deep learning. Two final approaches, one utilizing ensemble methods and one utilizing evidential learning, are constructed and compared using a well-quantified synthetic 2D dataset along with the DIRSIG Megascene.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Enhancing molecular design efficiency: Uniting language models and generative networks with genetic algorithms

This study examines the effectiveness of generative models in drug discovery, material science, and polymer science, aiming to overcome constraints associated with traditional inverse design methods relying on heuristic rules. Generative models generate synthetic data resembling real data, enabling deep learning model training without extensive labeled datasets. They prove valuable in creating virtual libraries of molecules for material science and facilitating drug discovery by generating molecules with specific properties. While generative adversarial networks (GANs) are explored for these purposes, mode collapse restricts their efficacy, limiting novel structure variability. To address this, we introduce a masked language model (LM) inspired by natural language processing. Although LMs alone can have inherent limitations, we propose a hybrid architecture combining LMs and GANs to efficiently generate new molecules, demonstrating superior performance over standalone masked LMs, particularly for smaller population sizes. This hybrid LM-GAN architecture enhances efficiency in optimizing properties and generating novel samples.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Deep Generative Modeling of Periodic Variable Stars Using Physical Parameters

The ability to generate physically plausible ensembles of variable sources is critical to the optimization of time domain survey cadences and the training of classification models on data sets with few to no labels. Traditional data augmentation techniques expand training sets by reenvisioning observed exemplars, seeking to simulate observations of specific training sources under different (exogenous) conditions. Unlike fully theory-driven models, these approaches do not typically allow principled interpolation nor extrapolation. Moreover, the principal drawback of theory-driven models lies in the prohibitive computational cost of simulating source observables from ab initio parameters. In this work, we propose a computationally tractable machine learning approach to generate realistic light curves of periodic variables capable of integrating physical parameters and variability classes as inputs. Our deep generative model, inspired by the transparent latent space generative adversarial networks, uses a variational autoencoder (VAE) architecture with temporal convolutional network layers, trained using the OGLE-III optical light curves and physical characteristics (e.g., effective temperature and absolute magnitude) from Gaia DR2. A test using the temperature–shape relationship of RR Lyrae demonstrates the efficacy of our generative “physics-enhanced latent space VAE” (PELS-VAE) model. Such deep generative models, serving as nonlinear nonparametric emulators, present a novel tool for astronomers to create synthetic time series over arbitrary cadences.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Detecting thermodynamic phase transition via explainable machine learning of photoemission spectroscopy

Identifying thermodynamic signatures of electronic phases, such as superconductivity, is challenging in low-dimensional materials due to strong fluctuations and low probing volume. Spectroscopic methods are often used to identify new bulk phases, but their main measurable quantity—electronic energy gaps—is no longer an effective order parameter in low-dimensional and fluctuating systems. Combining angle-resolved photoemission with a domain-adversarial neural network, we report a data-driven method to identify thermodynamic phase transitions solely based on single-particle spectra. We demonstrate 97.6% accuracy in cuprate superconductor Bi 2 Sr 2 CaCu 2 O 8+δ with strong superconducting fluctuations. This model notably compensates for the scarcity of experimental data by leveraging virtually inexhaustible simulated data. Further, its explainability reveals the crucial role of in-gap spectral weight in detecting phase fluctuations and thermodynamic transitions. Our work pinpoints the spectroscopic signatures of fluctuating orders and enables using spectroscopy for machine-learning-assisted material discovery for low-dimensional and strong coupling systems.

2D materials↗
DOE OSTI2021

Machine learning-based microstructure prediction during laser sintering of alumina

Abstract Predicting material’s microstructure under new processing conditions is essential in advanced manufacturing and materials science. This is because the material’s microstructure hugely influences the material’s properties. We demonstrate an elegant machine learning algorithm that faithfully predicts the microstructure under new conditions, without the need of knowing the governing laws. We name this algorithm, RCWGAN-GP, which is regression-based conditional generative adversarial networks with Wasserstein loss function and gradient penalty. This algorithm was trained with experimental SEM micrographs from laser-sintered alumina under various laser powers. The RCWGAN-GP realistically regenerates the SEM micrographs under the trained laser powers. Impressively, it also faithfully predicts the alumina’s microstructure under unexplored laser powers. The predicted microstructure features, including the morphology of the sintered particles and the pores, match the experimental SEM micrographs very well. We further quantitatively examined the prediction accuracy of the RCWGAN-GP. We trained the algorithm with computer-created micrograph datasets of secondary-phase growth governed by the well-known Johnson–Mehl–Avrami (JMA) equation. The RCWGAN-GP accurately regenerates the micrographs at the trained time series, in terms of the grains’ shapes, sizes, and spatial distributions. More importantly, the predicted secondary phase fraction accurately follows the JMA curve.

08 HYDROGEN↗