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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 181 records · Page 10
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Deep learning multiphysics network for imaging CO 2 saturation and estimating uncertainty in geological carbon storage

Multiphysics inversion exploits different types of geophysical data that often complement each other and aims to improve overall imaging resolution and reduce uncertainties in geophysical interpretation. Despite the advantages, traditional multiphysics inversion is challenging because it requires a large amount of computational time and intensive human interactions for preprocessing data and finding trade-off parameters. These issues make it nearly impossible for traditional multiphysics inversion to be applied as a real-time monitoring tool for geological carbon storage. In this paper, we present a deep learning (DL) multiphysics network for imaging CO 2 saturation in real time. The multiphysics network consists of three encoders for analysing seismic, electromagnetic and gravity data and shares one decoder for combining imaging capabilities of the different geophysical data for better predicting CO 2 saturation. The network is trained on pairs of CO 2 label models and multiphysics data so that it can directly image CO 2 saturation. Here we use the bootstrap aggregating method to enhance the imaging accuracy and estimate uncertainties associated with CO 2 saturation images. Using realistic CO 2 label models and multiphysics data derived from the Kimberlina CO 2 storage model, we evaluate the performance of the deep learning multiphysics network and compare its imaging results to those from the deep learning single-physics networks. Our modelling experiments show that the deep learning multiphysics network for seismic, electromagnetic, and gravity data not only improves the imaging accuracy but also reduces uncertainties associated with CO 2 saturation images. Our results also suggest that the deep learning multiphysics network for the non-seismic data (i.e., electromagnetic and gravity) can be used as an effective low-cost monitoring tool in between regular seismic monitoring.

58 GEOSCIENCES↗
DOE OSTI2024

Machine-learned closure of URANS for stably stratified turbulence: connecting physical timescales & data hyperparameters of deep time-series models

Stably stratified turbulence (SST), a model that is representative of the turbulence found in the oceans and atmosphere, is strongly affected by fine balances between forces and becomes more anisotropic in time for decaying scenarios. Moreover, there is a limited understanding of the physical phenomena described by some of the terms in the Unsteady Reynolds-Averaged Navier–Stokes (URANS) equations—used to numerically simulate approximate solutions for such turbulent flows. Rather than attempting to model each term in URANS separately, it is attractive to explore the capability of machine learning (ML) to model groups of terms, i.e. to directly model the force balances. We develop deep time-series ML for closure modeling of the URANS equations applied to SST. We consider decaying SST which are homogeneous and stably stratified by a uniform density gradient, enabling dimensionality reduction. We consider two time-series ML models: long short-term memory and neural ordinary differential equation. Both models perform accurately and are numerically stable in a posteriori (online) tests. Furthermore, we explore the data requirements of the time-series ML models by extracting physically relevant timescales of the complex system. We find that the ratio of the timescales of the minimum information required by the ML models to accurately capture the dynamics of the SST corresponds to the Reynolds number of the flow. The current framework provides the backbone to explore the capability of such models to capture the dynamics of high-dimensional complex dynamical system like SST flows.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Analytical Modeling of Exoplanet Transit Spectroscopy with Dimensional Analysis and Symbolic Regression

Abstract The physical characteristics and atmospheric chemical composition of newly discovered exoplanets are often inferred from their transit spectra, which are obtained from complex numerical models of radiative transfer. Alternatively, simple analytical expressions provide insightful physical intuition into the relevant atmospheric processes. The deep-learning revolution has opened the door for deriving such analytical results directly with a computer algorithm fitting to the data. As a proof of concept, we successfully demonstrate the use of symbolic regression on synthetic data for the transit radii of generic hot-Jupiter exoplanets to derive a corresponding analytical formula. As a preprocessing step, we use dimensional analysis to identify the relevant dimensionless combinations of variables and reduce the number of independent inputs, which improves the performance of the symbolic regression. The dimensional analysis also allowed us to mathematically derive and properly parameterize the most general family of degeneracies among the input atmospheric parameters that affect the characterization of an exoplanet atmosphere through transit spectroscopy.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Computer Model Calibration with Time Series Data Using Deep Learning and Quantile Regression

Computer models play a key role in many scientific and engineering problems. One major source of uncertainty in computer model experiments is input parameter uncertainty. Computer model calibration is a formal statistical procedure to infer input parameters by combining information from model runs and observational data. The existing standard calibration framework suffers from inferential issues when the model output and observational data are high-dimensional dependent data, such as large time series, due to the difficulty in building an emulator and the nonidentifiability between effects from input parameters and data-model discrepancy. To overcome these challenges, we, in this work, propose a new calibration framework based on a deep neural network (DNN) with long short-term memory layers that directly emulates the inverse relationship between the model output and input parameters. Adopting the “learning with noise” idea, we train our DNN model to filter out the effects from data-model discrepancy on input parameter inference. We also formulate a new way to construct interval predictions for DNN using quantile regression to quantify the uncertainty in input parameter estimates. Through a simulation study and real data application with the Weather Research and Forecasting Model Hydrological modeling system (WRF-Hydro), we show our approach can yield accurate point estimates and well-calibrated interval estimates for input parameters.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Deep exclusive meson production as a probe to the puzzle of Λ hyperon polarization

In the 1970s, an unexpected transverse Λ polarization in unpolarized proton-beryllium collisions was discovered, which initiated extensive studies on spin phenomena in high-energy physics. Over the past five decades, similar transverse Λ polarization has been observed across various collision systems, including lepton-hadron deep-inelastic scattering, hadron-hadron collisions, and electron-positron collisions. Despite numerous promising theoretical models, the fundamental mechanism underlying this polarization phenomenon remains inconclusive to this day. However, in both longitudinally and transversely polarized lepton-hadron and hadron-hadron collisions, it is found that the Λ hyperon is polarized with respect to the initial parton spin direction. How the Λ hyperon acquires its spin has become one of the most crucial questions to address in order to resolve this puzzle. In this paper, I propose to use an exclusive process that can be measured at the Electron-Ion Collider, the deep exclusive meson production, to explicitly test the mechanism of Λ polarization. The outcomes of this experimental measurement are anticipated to unveil the dominant mechanism by which Λ obtains its spin, eliminating many of the ambiguities that have been encountered in previous studies. Finally, experimental challenges and requirements are discussed. Published by the American Physical Society 2024

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Unifying simulation and inference with normalizing flows

There have been many applications of deep neural networks to detector calibrations and a growing number of studies that propose deep generative models as automated fast detector simulators. We show that these two tasks can be unified by using maximum likelihood estimation (MLE) from conditional generative models for energy regression. Unlike direct regression techniques, the MLE approach is prior independent and non-Gaussian resolutions can be determined from the shape of the likelihood near the maximum. Using an ATLAS-like calorimeter simulation, we demonstrate this concept in the context of calorimeter energy calibration. Published by the American Physical Society 2025

Hadronic calorimiters↗
DOE OSTI2024

Elucidating the formation mechanisms of zeolites using data-driven modelling and in-situ characterization

Zeolites are the main solid catalysts used by the chemical industry. The use of zeolites in separations and as shape selective catalysts requires control of the width and connectivity of their pores. 235 distinct zeolite frameworks have been synthesized to date, of over 2 million that have been proposed. Recent work indicates that the limitation is in large part kinetic: new synthetic pathways are required to access new zeolites. Organic cations are used to direct the synthesis towards specific zeolites. However, the molecular mechanisms by which cations direct the nucleation towards specific zeolites is not known. Elucidating these mechanisms is key to realize new zeolites for catalysis and separations, and is the focus of this project. This project developed and implemented a synergistic, data-driven computational and experimental approach to resolve the molecular pathways of nucleation, growth, and polymorph selection of zeolites and the role of organic cations in directing their formation. The project developed computationally efficient and accurate models for the study of the nucleation and growth of pure silica zeolites in molecular simulations, using machine learning with data from experiments. Simulations with these models were integrated with scanning tunneling electron microscopy, computer vision, and deep learning to unveil the molecular pathways of formation of a zeolite. Of particular interest in this project was to elucidate the role of amorphous precursors in the nucleation of the zeolite. Previous experiments indicate that zeolites are born within non-crystalline aggregates in which the silicates and organic cations have local and medium range order similar to that of the zeolite. The organic cations that direct the formation of zeolites and those that direct the formation of ordered mesoporous silicas are similar. We hypothesized that the frustrated attraction that for large organic cations leads to the formation of stable mesophases that direct the synthesis of mesoporous silicas, could promote the formation of metastable mesophases that can assist in the nucleation and polymorph selection of zeolites. The simulations resolved how structure directing agents build crystalline order and showed that mesoscopic pre-ordering occurs is not required to facilitate the nucleation of zeolites, because the synthesis occurs at high driving forces, where the barriers for nucleation are negligible. This project unveiled that polymorph selection in zeolite synthesis occurs after nucleation, opening a distinct area of control through the kinetics of growth and not through nucleation barriers.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Deep learning categorization of infrasound array data

Here we develop a deep learning-based infrasonic detection and categorization methodology that uses convolutional neural networks with self-attention layers to identify stationary and non-stationary signals in infrasound array processing results. Using features extracted from the coherence and direction-of-arrival information from beamforming at different infrasound arrays, our model more reliably detects signals compared with raw waveform data. Using three infrasound stations maintained as part of the International Monitoring System, we construct an analyst-reviewed data set for model training and evaluation. We construct models using a 4-category framework, a generalized noise vs non-noise detection scheme, and a signal-of-interest (SOI) categorization framework that merges short duration stationary and non-stationary categories into a single SOI category. We evaluate these models using a combination of k-fold cross-validation, comparison with an existing “state-of-the-art” detector, and a transportability analysis. Although results are mixed in distinguishing stationary and non-stationary short duration signals, f-scores for the noise vs non-noise and SOI analyses are consistently above 0.96, implying that deep learning-based infrasonic categorization is a highly accurate means of identifying signals-of-interest in infrasonic data records.

47 OTHER INSTRUMENTATION↗
DOE OSTI2020

Initial Field Testing in the Deep Subsurface for the Thermal Breakout Project for Measuring In Situ Stress

The current state-of-the-art technology for in situ stress measurements involves an integrated approach that combines borehole breakout observations, drilling-induced tensile fractures, and hydraulic fracturing tests (i.e., mini-fracs); however, this methodology has several limitations that often prevent successful in situ stress measurements. One major limitation is that breakouts do not appear in every borehole and are generally a natural occurrence that cannot easily be controlled. Because borehole breakouts are used to measure the maximum horizontal in situ stress magnitude, the absence of borehole breakouts presents a major data gap for in situ stress measurements. As a response to this data gap a new thermal breakout technology is being developed that will provide a method for thermally inducing borehole breakouts and obtaining consistent measurements of the maximum horizontal stress magnitude. This thermal breakout technology involves heating the borehole and increasing the thermoelastic compressive stress in the rock until a breakout develops, which is directly correlated to the maximum horizontal stress magnitude. An initial component of the thermal breakout project involves developing a prototype downhole tool and performing field testing in the deep subsurface. The primary objective of the initial tool development and field testing is to provide a physical proof of concept for the thermal breakout technology. Three thermal breakout field tests were performed at approximately 4850 feet deep in the Sanford Underground Research Facility. Each test was performed in a borehole that had been previously used for overcoring stress measurements. The third and final test successfully created two diametrically opposed breakouts after deploying the thermal breakout tool for approximately 3 hours of continuous heating. Post-analysis of the thermally induced breakouts confirmed that the thermal breakout orientation directly corresponds to the known in situ stress orientation and magnitude.

Voegeli, Sam↗
DOE OSTI2026

Make the Fastest Faster: Importance Mask Synthesis for Interactive Volume Visualization using Reconstruction Neural Networks

Visualizing a large-scale volumetric dataset with high resolution is challenging due to the substantial computational time and space complexity. Recent deep learning-based image inpainting methods significantly improve rendering latency by reconstructing a high-resolution image for visualization in constant time on GPU from a partially rendered image where only a portion of pixels go through the expensive rendering pipeline. However, existing solutions need to render every pixel of either a predefined regular sampling pattern or an irregular sample pattern predicted from a low-resolution image rendering. Both methods require a significant amount of expensive pixel-level rendering. In this work, we provide Importance Mask Learning (IML) and Synthesis (IMS) networks, which are the first attempts to directly synthesize important regions of the regular sampling pattern from the user’s view parameters, to further minimize the number of pixels to render by jointly considering the dataset, user behavior, and the downstream reconstruction neural network. Our solution is a unified framework to handle various types of inpainting methods through the proposed differentiable compaction/decompaction layers. Experiments show our method can further improve the overall rendering latency of state-of-the-art volume visualization methods using reconstruction neural network for free when rendering scientific volumetric datasets. Our method can also directly optimize the off-the-shelf pre-trained reconstruction neural networks without elongated retraining.

Large-scale data↗
DOE OSTI2023

Collaborative Proposal: Improving Understanding of the Internal Structure and Dynamics of Deep Convection Using ARM Observations and Large Eddy Simulations (Final progress report)

This is the final technical report for the DOE Atmospheric System Research funded project entitled "Collaborative Proposal: Improving Understanding of the Internal Structure and Dynamics of Deep Convection Using ARM Observations and Large Eddy Simulations". This project addressed several science questions related to the structure and behavior of deep convective clouds in the atmosphere. It applied knowledge gained from this work to improve the deep cumulus convection parameterization in the Community Earth System Model (CESM). Specific outcomes related to the project include an improved understanding of: (1) how convective cloud environments regulate the size of thermals reaching the upper troposphere, and hence the shallow-to-deep convective transition; (2) the role of dynamic pressure forcing in thermal and convective cloud evolution; and (3) the role of vertical wind shear on the behavior of moist thermals and the transition from shallow to deep convection. Although the primary motivation of this project was to improve basic understanding of thermal dynamics in atmospheric convection, an important component of this work was using this improved understanding to modify the representation of entrainment and vertical velocity profiles in the Zhang-McFarlane cumulus parameterization used in CESM. This work also had a strong observational component, with analyses of Atmospheric Radiation Measurement (ARM) observations to characterize thermal characteristics and behavior. Observations collected during the ARM-supported CACTI field project were used with high-resolution simulations to explore environmental controls on deep convection initiation. Data from the ARM-supported MC3E field project were also used to evaluate the representation of updraft vertical velocities in the Zhang-McFarlane cumulus parameterization. This project directly supported the training of two post-doctoral researchers and led to 16 peer-reviewed published papers.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Improving the Physical Basis for Updraft Dynamics in Deep Convection Parameterizations

This article presents a new deep convective parameterization that determines cloud characteristics based on a specified cloud size distribution. The vertical profiles of cloud properties are determined by analytic equations, which formulate entrainment with an inverse relationship to cloud width. In line with recent studies of large eddy simulations (LES), cloud widths are assumed to be constant with height and vertical mass flux (M) characteristics of the clouds are therefore regulated by the vertical velocity profile. The parameterization is configured to work with existing cloud base M closure formulations, with the closure predicting the total cloud area rather than the cloud base M directly. Analytic formula are also used to connect the vertical wind shear magnitude to the cloud size distribution, wherein larger shear magnitudes result in more numerous large updrafts than weaker shear magnitudes, which is in line with recent research results. The parameterization is compared against 10 deep convective LES with varying thermodynamic and vertical wind shear profiles. Results show dramatic improvements in the prediction of normalized M, detrainment, and the properties of detrained air over the existing Zhang and McFarlane (1995) scheme. In particular, the new model is able to correctly portray the transition from a bottom-heavy M profile in weakly sheared environments, to a top-heavy M profile in strongly sheared environments.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

No Galaxy Left Behind: Measuring the Transfer Function of the Dark Energy Survey with Balrog

In this dissertation, we describe a calibration and diagnostic framework called Balrog which was used to directly sample the selection and photometric biases of the Dark Energy Survey (DES) Year 3 (Y3) dataset. We systematically inject onto the single-epoch images of a random 20% subset of the DES footprint an ensemble of nearly 30 million realistic galaxy models derived from DES Deep Field observations. These augmented images are analyzed in parallel with the original data to automatically inherit measurement systematics that are often too difficult to capture with traditional generative models. The resulting object catalog is a Monte Carlo sampling of the DES transfer function and is used as a powerful diagnostic and calibration tool for a variety of DES Y3 science, particularly for the calibration of the photometric redshifts of distant "source" galaxies and magnification biases of nearer "lens" galaxies. The recovered Balrog injections are shown to closely match the photometric property distributions of the fiducial Y3 GOLD catalog, particularly in color, and capture the number density fluctuations from observing conditions of the real data within 1% for a typical galaxy sample. We find that Y3 colors are extremely well calibrated, typically within ~1-8 millimagnitudes, but for a small subset of objects we detect significant magnitude biases correlated with large overestimates of the injected object size due to proximity effects and blending. Finally, we discuss approaches to extend the current methodology to capture more aspects of the transfer function for future analyses.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

High-Fidelity Simulation Aerodynamics Dataset of NACA 0012 and 0021 Airfoils

The repository contains time series data of pressure, viscous and moment forces for the NACA 0012 and 0021 airfoils at angles of attack (AOA), 5, 17, 30, 45, 60 and 90 degrees. The data was generated during the high-fidelity simulations of the airfoils using the open-source CFD code, Nalu-Wind (https://github.com/Exawind/nalu-wind). The research objective was to study the effects of mesh resolution and turbulence model on the three-dimensional deep stall aerodynamics of the airfoils, which has been published in the Journal of Turbulence (https://doi.org/10.1080/14685248.2023.2225141). Several meshes of the O-grid type were generated using the modified Pointwise Glyph script of Carrigan (https://github.com/pointwise/AirfoilMesh) by varying the wall normal and spanwise resolutions. Note that, the geometry was extruded by four chord lengths in the spanwise direction. In the paper, we showed that Improved Delayed Detached Eddy Simulation (IDDES) hybrid RANS/LES turbulence model with a minimum of 24 cells per chord length in the spanwise direction is necessary to correctly predict the loads in the deep stall regime. Under the NACA 0012 airfoil directory, the data for several combinations of wall-normal and spanwise resolutions are presented in each of the AOA subdirectories. The corresponding experimental data for the lift and drag polars can be found in the "exp_data" subdirectory. The directory for the NACA 0021 airfoil consists of CFD force data and airfoil polars for Reynolds numbers 2.7e5 and 2.0e6.

17 WIND ENERGY↗
DOE OSTI2022

Dark Energy Survey Year 3 Results: Measuring the Survey Transfer Function with Balrog

Abstract We describe an updated calibration and diagnostic framework, Balrog , used to directly sample the selection and photometric biases of the Dark Energy Survey (DES) Year 3 (Y3) data set. We systematically inject onto the single-epoch images of a random 20% subset of the DES footprint an ensemble of nearly 30 million realistic galaxy models derived from DES Deep Field observations. These augmented images are analyzed in parallel with the original data to automatically inherit measurement systematics that are often too difficult to capture with generative models. The resulting object catalog is a Monte Carlo sampling of the DES transfer function and is used as a powerful diagnostic and calibration tool for a variety of DES Y3 science, particularly for the calibration of the photometric redshifts of distant “source” galaxies and magnification biases of nearer “lens” galaxies. The recovered Balrog injections are shown to closely match the photometric property distributions of the Y3 GOLD catalog, particularly in color, and capture the number density fluctuations from observing conditions of the real data within 1% for a typical galaxy sample. We find that Y3 colors are extremely well calibrated, typically within ∼1–8 mmag, but for a small subset of objects, we detect significant magnitude biases correlated with large overestimates of the injected object size due to proximity effects and blending. We discuss approaches to extend the current methodology to capture more aspects of the transfer function and reach full coverage of the survey footprint for future analyses.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2022

Photometric identification of compact galaxies, stars, and quasars using multiple neural networks

We present MargNet, a deep learning-based classifier for identifying stars, quasars, and compact galaxies using photometric parameters and images from the Sloan Digital Sky Survey Data Release 16 catalogue. MargNet consists of a combination of convolutional neural network and artificial neural network architectures. Using a carefully curated data set consisting of 240 000 compact objects and an additional 150 000 faint objects, the machine learns classification directly from the data, minimizing the need for human intervention. MargNet is the first classifier focusing exclusively on compact galaxies and performs better than other methods to classify compact galaxies from stars and quasars, even at fainter magnitudes. This model and feature engineering in such deep learning architectures will provide greater success in identifying objects in the ongoing and upcoming surveys, such as Dark Energy Survey and images from the Vera C. Rubin Observatory.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Inferring protein expression changes from mRNA in Alzheimer’s dementia using deep neural networks

Identifying the molecular systems and proteins that modify the progression of Alzheimer’s disease and related dementias (ADRD) is central to drug target selection. However, discordance between mRNA and protein abundance, and the scarcity of proteomic data, has limited our ability to advance candidate targets that are mainly based on gene expression. Therefore, by using a deep neural network that predicts protein abundance from mRNA expression, here we attempt to track the early protein drivers of ADRD. Specifically, by applying the clei2block deep learning model to 1192 brain RNA-seq samples, we identify protein modules and disease-associated expression changes that were not directly observed at the mRNA level. Moreover, pseudo-temporal trajectory inference based on the predicted proteome became more closely correlated with cognitive decline and hippocampal atrophy compared to RNA-based trajectories. This suggests that the predicted changes in protein expression could provide a better molecular representation of ADRD progression. Furthermore, overlaying clinical traits on protein pseudotime trajectory identifies protein modules altered before cognitive impairment. These results demonstrate how our method can be used to identify potential early protein drivers and possible drug targets for treating and/or preventing ADRD.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2021

Prediction of Solar Irradiance and Photovoltaic Solar Energy Product Based on Cloud Coverage Estimation Using Machine Learning Methods

Cloud cover estimation from images taken by sky-facing cameras can be an important input for analyzing current weather conditions and estimating photovoltaic power generation. The constant change in position, shape, and density of clouds, however, makes the development of a robust computational method for cloud cover estimation challenging. Accurately determining the edge of clouds and hence the separation between clouds and clear sky is difficult and often impossible. Toward determining cloud cover for estimating photovoltaic output, we propose using machine learning methods for cloud segmentation. We compare several methods including a classical regression model, deep learning methods, and boosting methods that combine results from the other machine learning models. To train each of the machine learning models with various sky conditions, we supplemented the existing Singapore whole sky imaging segmentation database with hazy and overcast images collected by a camera-equipped Waggle sensor node. We found that the U-Net architecture, one of the deep neural networks we utilized, segmented cloud pixels most accurately. However, the accuracy of segmenting cloud pixels did not guarantee high accuracy of estimating solar irradiance. We confirmed that the cloud cover ratio is directly related to solar irradiance. Additionally, we confirmed that solar irradiance and solar power output are closely related; hence, by predicting solar irradiance, we can estimate solar power output. This study demonstrates that sky-facing cameras with machine learning methods can be used to estimate solar power output. This ground-based approach provides an inexpensive way to understand solar irradiance and estimate production from photovoltaic solar facilities.

14 SOLAR ENERGY↗