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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 631 records · Page 35
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Evaluating Probability of Containment Effectiveness at a GCS Sites using integrated assessment modeling approach with Bayesian decision Networks

Improved scientific and engineering understanding of the behavior of geologic CO2 storage together with established regulatory framework and incentive structures raise the prospects for accelerated, large-scale deployment of this greenhouse gas emissions reduction approach. Incentive structures call for the establishment of appropriate verification and accounting approaches to support claims of the integrity of a geologic storage complex and to justify taking credit for long-term storage. In this study, we present a framework for assessing the probability of containment effectiveness over the lifetime of a geologic carbon storage site (e.g., after 70 years of injection and post-injection site performance) using forward stochastic model realizations based on site characterization data and using a monitoring-informed Bayesian network based on hypothetical detectability from surface seismic surveys over the site injection and post-injection phases. The National Risk Assessment Partnership’s open-source Integrated Assessment Model (NRAP-Open-IAM) was utilized to develop an ensemble of 10,000 a priori stochastic forecasts of CO2 containment. Those simulations were used to train the Bayesian network model to estimate the prior probabilities of the CO2 leakage mass into overlying, monitorable aquifers considering the uncertainties in the reservoir properties, permeability of potentially leaky wells and the overlying aquifers. The conditional probabilities in the Bayesian network were either learned from the NRAP-Open-IAM simulations or derived from the predefined detection thresholds for the monitoring method. Observations obtained from monitoring, over time during the site operation phases were then used to generate updated posterior probabilities of containment (and any loss from containment) in the Bayesian network by propagating the prior probabilities through the conditional probabilities. We demonstrate how to construct and use the Bayesian network for verifying the long-term storage complex effectiveness informed by monitoring based on the NRAP-Open-IAM simulations previously developed for the FutureGen 2.0 site. This approach may have relevance for stake holders to demonstrate secure geologic storage, provide a defensible, probabilistic approach to claim credit for geologic storage, and to estimate the likelihood that any fraction of the claimed credit may need to be refunded to the creditor based on available monitoring information.

Bayesian network, Risk assessment, Monitoring, car↗
NASA NTRS1983

Development of a Persistent Chemical Agent Simulator System (PCASS)

The development of a persistent chemical agent simulation system (PCASS) is described. This PCASS is to be used for the military training of troops to simulate actual chemical warfare. The purpose of this system is to facilitate in the determination of chemical contamination and effectiveness of decontamination for training purposes. The fluorescent tracer employed has no daylight activation, but yet is easily removed with a decontaminate solution or water and surfactants. Also employed is a time delayed color developing system. When an individual is subjected to the PCASS and does not decontaminate adequately, red blotches or red coloration will develop as a function of time and temperature. The intent of this is to simulate the delayed chemical reaction of mustard contaminates.

Mcginness, W. G.↗
DOE OSTI2020

A systematic feature extraction and selection framework for data-driven whole-building automated fault detection and diagnostics in commercial buildings

In data-driven automated fault detection and diagnostics (AFDD) modeling for building energy systems, feature engineering is a critical process of extracting information from high-dimensional and noisy sensor measurement and turning it into informative and representative inputs or features for data-driven modeling. However, few studies specifically discuss the feature engineering, especially the interactions between feature extraction and feature selection in whole-building AFDD. We developed a systematic feature extraction and selection framework for whole-building AFDD. In this framework, features are aggressively extracted from raw sensor data using statistical feature extraction techniques with various window sizes and statistics. With many features extracted, a hybrid feature selection algorithm that combines the filter and wrapper method then selects the best feature set. The framework considers diversity in the duration of fault behavior among fault types in whole-building AFDD, thus achieving high model generalization. We implemented our developed framework in a virtual testbed calibrated with measured data from Oak Ridge National Laboratory's Flexible Research Platform designed to mimic the operation of a typical small commercial building. The AFDD model is trained by the simulation data generated from the virtual testbed. The results show that (1) the developed framework improves the generalization of the AFDD model by 10.7% compared with literature-reported feature extraction and selection methods and (2) features with diverse window sizes and statistics are selected, providing insight into physical systems beyond the current understanding of buildings and faults and improving the detection and diagnostics of multiple fault types.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2025

Structural origin of disorder-induced ion conduction in NaFePO 4 cathode materials

Diffusion in NaFePO 4 can be enhanced through amorphization. Based on computations using DFT and machine learning potentials, we ascribe this phenomenon to the formation of less constrained Na-ion environments upon disordering. Most modern battery technologies depend on solid-state crystalline cathode materials. However, some of these materials are constrained by the low ionic conductivity of their most stable phases. An example of this is maricite (NaFePO 4 ). Interestingly, experiments have shown that maricite can improve its rate capability through disordering (amorphization). However, experimental characterization of amorphous cathode materials remains a major challenge, hindering a clear understanding of the structural origin of the disorder-induced improvement in sodium-ion mobility. To address this, we here employ molecular dynamics simulations by first training a machine learning potential for NaFePO 4 based on the atomic cluster expansion approach and a batch active learning potential parameterization scheme. This potential is then applied to explore the structural and dynamical properties of NaFePO 4 glasses as cathode materials. Specifically, we investigate the effect of glass structure on sodium-ion diffusion, revealing the relative influences of short-range and medium-range order features. We find significant heterogeneity in sodium-ion diffusivity in the glass, with fast-conducting ions residing in less constrained atomic environments with fewer P and Fe neighbors. These more mobile ions are also surrounded by larger ring-type structures. Overall, the results and developed approach present promising avenues for developing high-performance glassy cathodes for next-generation batteries.

Christensen, Rasmus↗
DOE OSTI2024

Toward ultra-efficient high-fidelity predictions of wind turbine wakes: Augmenting the accuracy of engineering models with machine learning

This study proposes a novel machine learning (ML) methodology for the efficient and cost-effective prediction of high-fidelity three-dimensional velocity fields in the wake of utility-scale turbines. The model consists of an autoencoder convolutional neural network with U-Net skipped connections, fine-tuned using high-fidelity data from large-eddy simulations (LES). The trained model takes the low-fidelity velocity field cost-effectively generated from the analytical engineering wake model as input and produces the high-fidelity velocity fields. The accuracy of the proposed ML model is demonstrated in a utility-scale wind farm for which datasets of wake flow fields were previously generated using LES under various wind speeds, wind directions, and yaw angles. Comparing the ML model results with those of LES, the ML model was shown to reduce the error in the prediction from 20% obtained from the Gauss Curl hybrid (GCH) model to less than 5%. In addition, the ML model captured the non-symmetric wake deflection observed for opposing yaw angles for wake steering cases, demonstrating a greater accuracy than the GCH model. The computational cost of the ML model is on par with that of the analytical wake model while generating numerical outcomes nearly as accurate as those of the high-fidelity LES.

Mechanics↗
DOE OSTI2022

A Machine Learning Method for the Forensics Attribution of Separated Plutonium

Plutonium (Pu) source attribution would be a powerful tool to support nuclear nonproliferation efforts. This capability to find the source of a Pu sample would act as a deterrent to smuggling efforts, and also help regulatory agencies verify declared nuclear activities. Work at Texas A&M University yielded a nuclear forensics methodology, which is capable of determining separated Pu’s reactor of origin, fuel burnup, and the time since irradiation (TSI)—three parameters of interest. The methodology used a set of ten intra-element isotopic ratios found in separated Pu, which was compared to a library of isotopic ratio values produced using neutronics simulations for reactors of interest. By calculating the probability that unknown Pu sample’s isotopic ratio set matched a set in the library, the methodology could predict the three parameters of interest of the sample. One shortcoming of this methodology was an inability to correctly attribute spoofed Pu, where Pu sourced from two different reactors or two different fuel burnup levels are mixed. A new methodology to rectify this vulnerability using machine learning (ML) technique is developed, instead of the maximum likelihood calculation previously used and the results are satisfactory. The ML approach leverages the existing simulated data for training the algorithm, but use them efficiently by only using intra-element isotope ratios that contribute to the attribution one of the three parameters at a time. Previously, all isotope ratios were used to attribute all three parameters together. The new methodology attributes the Pu parameters in three steps, one for each parameter, rather than resolving all of the three parameters simultaneously like the previous maximum likelihood approach. First, a support vector machine classifier with a set of seven isotopic ratios finds the reactor of origin and a set of regression models trained using gaussian process predicts the burnup with a different set of seven isotopes. Finally, TSI is calculated analytically using decay equations. Thus far, the new methodology is capable of attributing pure Pu samples and has been validated using experimental data. The next step will to be augment the classifier training data set with spoofed Pu data.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Peculiar velocity estimation from kinetic SZ effect using deep neural networks

ABSTRACT The Sunyaev–Zel’dolvich (SZ) effect is expected to be instrumental in measuring velocities of distant clusters in near future telescope surveys. We simplify the calculation of peculiar velocities of galaxy clusters using deep learning frameworks trained on numerical simulations to avoid the independent estimation of the optical depth. Images of distorted photon backgrounds are generated for idealized observations using one of the largest cosmological hydrodynamical simulations, the Magneticum simulations. The model is tested to determine its ability of estimating peculiar velocities from future kinetic SZ observations under different noise conditions. The deep learning algorithm displays robustness in estimating peculiar velocities from kinetic SZ effect by an improvement in accuracy of about 17 per cent compared to the analytical approach.

Wang, Yuyu (ORCID:0000000202458547)↗
DOE OSTI2024

A post-merger enhancement only in star-forming Type 2 Seyfert galaxies: the deep learning view

ABSTRACT Supermassive black holes require a reservoir of cold gas at the centre of their host galaxy in order to accrete and shine as active galactic nuclei (AGN). Major mergers have the ability to drive gas rapidly inwards, but observations trying to link mergers with AGN have found mixed results due to the difficulty of consistently identifying galaxy mergers in surveys. This study applies deep learning to this problem, using convolutional neural networks trained to identify simulated post-merger galaxies from survey-realistic imaging. This provides a fast and repeatable alternative to human visual inspection. Using this tool, we examine a sample of ∼8500 Seyfert 2 galaxies ($L[\mathrm{O\, {\small III}}] \sim 10^{38.5 - 42}$ erg s−1) at z < 0.3 in the Sloan Digital Sky Survey and find a merger fraction of $2.19_{-0.17}^{+0.21}$ per cent compared with inactive control galaxies, in which we find a merger fraction of $2.96_{-0.20}^{+0.26}$ per cent, indicating an overall lack of mergers among AGN hosts compared with controls. However, matching the controls to the AGN hosts in stellar mass and star formation rate reveals that AGN hosts in the star-forming blue cloud exhibit a ∼2 × merger enhancement over controls, while those in the quiescent red sequence have significantly lower relative merger fractions, leading to the observed overall deficit due to the differing M*–SFR distributions. We conclude that while mergers are not the dominant trigger of all low-luminosity, obscured AGN activity in the nearby Universe, they are more important to AGN fuelling in galaxies with higher cold gas mass fractions as traced through star formation.

Avirett-Mackenzie, M. S.↗
DOE OSTI2023

Time-Resolved Line Shapes of Single Quantum Emitters via Machine Learned Photon Correlations

Solid-state single-photon emitters (SPEs) are quantum light sources that combine atomlike optical properties with solid-state integration and fabrication capabilities. SPEs are hindered by spectral diffusion, where the emitter’s surrounding environment induces random energy fluctuations. Timescales of spectral diffusion span nanoseconds to minutes and require probing single emitters to remove ensemble averaging. Photon correlation Fourier spectroscopy (PCFS) can be used to measure time-resolved single emitter line shapes, but is hindered by poor signal-to-noise ratio in the measured correlation functions at early times due to low photon counts. Here, we develop a framework to simulate PCFS correlation functions directly from diffusing spectra that match well with experimental data for single colloidal quantum dots. We use these simulated datasets to train a deep ensemble autoencoder machine learning model that outputs accurate, noiseless, and probabilistic reconstructions of the noisy correlations. Using this model, we obtain reconstructed time-resolved single dot emission line shapes at timescales as low as 10 ns, which are otherwise completely obscured by noise. This enables PCFS to extract optical coherence times on the same timescales as Hong-Ou-Mandel two-photon interference, but with the advantage of providing spectral information in addition to estimates of photon indistinguishability. Further, our machine learning approach is broadly applicable to different photon correlation spectroscopy techniques and SPE systems, offering an enhanced tool for probing single emitter line shapes on previously inaccessible timescales.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2025

Accelerated Over-The-Air Neural Receiver Training Using Self-Contrastive Learning

Self-contrastive learning (SCL), a self-supervised learning method, has been shown to improve image and signal classifier accuracies and reduce the training time for neural communications receivers. In particular, prior work has shown that SCL applied as a pre-training step can improve simulated performance of OFDM in 3GPP TDL channel models by reducing the training time of the downstream classification task (demodulation and demapping). In this work a practical implementation demonstrating SCL pre-training using software defined radios (SDRs) is proposed.

Cooke, Corey [ORNL] (ORCID:0000000234263672)↗
DOE OSTI2022

Deploying Traffic Smoothing Cruise Controllers Learned from Trajectory Data

Autonomous vehicle-based traffic smoothing con- trollers are often not transferred to real-world use due to challenges in calibrating many-agent traffic simulators. We show a pipeline to sidestep such calibration issues by collecting trajectory data and learning controllers directly from trajectory data that are then deployed zero-shot onto the highway. We construct a dataset of 772.3 kilometers of recorded drives on the I-24. We then construct a simple simulator using the recorded drives as the lead vehicle in front of a simulated platoon consisting of one autonomous vehicle and five human followers. Using policy-gradient methods with an asymmetric critic to learn the controller, we show that we are able to improve average MPG by 11% in simulation on congested trajectories. We deploy this controller to a mixed platoon of 4 autonomous Toyota RAV-4’s and 7 human drivers in a validation experiment and demonstrate that the expected time-gap of the controller is maintained in the real world test. Finally, we release the driving dataset [1], the simulator, and the trained controller at https://github.com/nathanlct/trajectory-training-icra.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2022

Exploring the universality of hadronic jet classification

The modeling of jet substructure significantly differs between Parton Shower Monte Carlo (PSMC) programs. Despite this, we observe that machine learning classifiers trained on different PSMCs learn nearly the same function. This means that when these classifiers are applied to the same PSMC for testing, they result in nearly the same performance. This classifier universality indicates that a machine learning model trained on one simulation and tested on another simulation (or data) will likely be optimal. Our observations are based on detailed studies of shallow and deep neural networks applied to simulated Lorentz boosted Higgs jet tagging at the LHC.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2026

Full event interpretation with machine-learning-based particle-flow reconstruction in the CMS detector

The particle-flow (PF) algorithm constructs a global description of each particle collision by producing a comprehensive list of final-state particles, and is central to event reconstruction in the CMS experiment at the CERN LHC. The existing PF implementation relies on physics-motivated heuristics and assumptions that can be replaced by machine-learning (ML) models trained directly on simulated data and naturally suited to modern graphics processing units (GPUs). A state-of-the-art ML-based PF (MLPF) reconstruction algorithm, implemented within the CMS software framework, is presented. The MLPF algorithm performs a learnable full-event reconstruction on GPUs, generalizes across detector conditions and collision energies, and replaces multiple modular reconstruction steps with a single unified model. Physics performance comparable to standard PF reconstruction is achieved in both simulation and data, with improved jet energy resolution and inference time. In simulated top quark-antiquark events under LHC Run-3 (2023-2024) conditions, the jet energy resolution improves by 10-20% for jets with transverse momentum between 30-100 GeV. Inference time is evaluated using simulated multijet events, with a median of $20\,\hbox {ms}$ per event on an Nvidia L4 GPU, compared to approximately $110\,\hbox {ms}$ for the standard CMS PF reconstruction.

Hayrapetyan, Aram [Yerevan Phys. Inst.]↗
DOE OSTI2022

Deep reinforcement learning with online data augmentation to improve sample efficiency for intelligent HVAC control

Deep Reinforcement Learning (DRL) has started showing success in real-world applications such as building energy optimization. Much of the research in this space utilized simulated environments to train RL-agent in an offline mode. Very few research have used DRL-based control in real-world systems due to two main reasons: 1) sample efficiency challenge---DRL approaches need to perform a lot of interactions with the environment to collect sufficient experiences to learn from, which is difficult in real systems, and 2) comfort or safety related constraints---user's comfort must never or at least rarely be violated. In this work, we propose a novel deep Reinforcement Learning framework with online Data Augmentation (RLDA) to address the sample efficiency challenge of real-world RL. We used a time series Generative Adversarial Network (TimeGAN) architecture as a data generator. We further evaluated the proposed RLDA framework using a case study of an intelligent HVAC control. With a ≈28% improvement in the sample efficiency, RLDA framework lays the way towards increased adoption of DRL-based intelligent control in real-world building energy management systems.

Kurte, Kuldeep↗
DOE OSTI2021

gp_blendclass_singleband

The code used for the data preprocessing, image simulation, and model training and analysis reported in the paper "Gaussian Process Classification for Galaxy Blend Identification in LSST" (arXiv:2107.09246).

Buchanan, JamesJ.↗
DOE OSTI2024

FTL: Transfer Learning Nonlinear Plasma Dynamic Transitions in Low Dimensional Embeddings (FTL) v1.0

Fusion Transfer Learning (FTL) model provides a new paradigm to study high-dimensional dynamical behaviors, such as those in fusion plasma systems. The knowledge transfer process leverages a pre-trained neural encoder-decoder network, initially trained on linear simulations, to effectively capture nonlinear dynamics. The low-dimensional embeddings extract the coherent structures of interest, while preserving the inherent dynamics of the complex system. Experimental results highlight FTL's capacity to capture transitional behaviors and dynamical features in plasma dynamics -- a task often challenging for conventional methods. The model developed in this study is generalizable and can be extended broadly through transfer learning to address various magnetohydrodynamics (MHD) modes.

Bai, Zhe↗
DOE OSTI2023

Design and implementation of I/O performance prediction scheme on HPC systems through large-scale log analysis

Abstract Large-scale high performance computing (HPC) systems typically consist of many thousands of CPUs and storage units used by hundreds to thousands of users simultaneously. Applications from large numbers of users have diverse characteristics, such as varying computation, communication, memory, and I/O intensity. A good understanding of the performance characteristics of each user application is important for job scheduling and resource provisioning. Among these performance characteristics, I/O performance is becoming increasingly important as data sizes rapidly increase and large-scale applications, such as simulation and model training, are widely adopted. However, predicting I/O performance is difficult because I/O systems are shared among all users and involve many layers of software and hardware stack, including the application, network interconnect, operating system, file system, and storage devices. Furthermore, updates to these layers and changes in system management policy can significantly alter the I/O behavior of applications and the entire system. To improve the prediction of the I/O performance on HPC systems, we propose integrating information from several different system logs and developing a regression-based approach to predict the I/O performance. Our proposed scheme can dynamically select the most relevant features from the log entries using various feature selection algorithms and scoring functions, and can automatically select the regression algorithm with the best accuracy for the prediction task. The evaluation results show that our proposed scheme can predict the write performance with up to 90% prediction accuracy and the read performance with up to 99% prediction accuracy using the real logs from the Cori supercomputer system at NERSC.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

New machine learning techniques for simulation-based inference: InferoStatic nets, kernel score estimation, and kernel likelihood ratio estimation

We propose an intuitive, machine-learning approach to multiparameter inference, dubbed the InferoStatic Networks (ISN) method, to model the score and likelihood ratio estimators in cases when the probability density can be sampled but not computed directly. The ISN uses a backend neural network that models a scalar function called the inferostatic potential \varphi φ . In addition, we introduce new strategies, respectively called Kernel Score Estimation (KSE) and Kernel Likelihood Ratio Estimation (KLRE), to learn the score and the likelihood ratio functions from simulated data. We illustrate the new techniques with some toy examples and compare to existing approaches in the literature. We mention en passant some new loss functions that optimally incorporate latent information from simulations into the training procedure.

Kong, Kyoungchul↗