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At least 1,117 records · Page 62
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Data-driven discovery of dynamics from time-resolved coherent scattering

Coherent X-ray scattering (CXS) techniques are capable of interrogating dynamics of nano- to mesoscale materials systems at time scales spanning several orders of magnitude. However, obtaining accurate theoretical descriptions of complex dynamics is often limited by one or more factors—the ability to visualize dynamics in real space, computational cost of high-fidelity simulations, and effectiveness of approximate or phenomenological models. In this work, we develop a data-driven framework to uncover mechanistic models of dynamics directly from time-resolved CXS measurements without solving the phase reconstruction problem for the entire time series of diffraction patterns. Our approach uses neural differential equations to parameterize unknown real-space dynamics and implements a computational scattering forward model to relate real-space predictions to reciprocal-space observations. This method is shown to recover the dynamics of several computational model systems under various simulated conditions of measurement resolution and noise. Moreover, the trained model enables estimation of long-term dynamics well beyond the maximum observation time, which can be used to inform and refine experimental parameters in practice. Finally, we demonstrate an experimental proof-of-concept by applying our framework to recover the probe trajectory from a ptychographic scan. Our proposed framework bridges the wide existing gap between approximate models and complex data.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Evaluating proxies for the drivers of natural gas productivity using machine-learning models

We report the extensive development of unconventional reservoirs using horizontal drilling and multistage hydraulic fracturing has generated large volumes of reservoir characterization and production data. The analysis of this abundant data using statistical methods and advanced machine-learning (ML) techniques can provide data-driven insights into well performance. Most predictive modeling studies have focused on the impact that different well completion and stimulation strategies have on well production but have not fully exploited the available in situ rock property data to determine its role in reservoir productivity. We have used machine-learning techniques to rank rock mechanical properties, microseismic attributes, and stimulation parameters in the order of their significance for predicting natural gas production from an unconventional reservoir. The data for this study came from a hydraulically fractured well in the Marcellus Shale in Monongalia County, West Virginia. The data classes included measurements aggregated by well completion stage that included (1) gas production, (2) well-log-derived measurements including bulk density, elastic moduli, shear impedance, compressional impedance, brittleness, and gamma measurements, (3) microseismic attributes, (4) long-period long-duration (LPLD) event counts, (5) fracture counts, and (6) stimulation parameters that included the fluid injection volume and average pumping pressure. To identify observable proxies for the drivers of gas production, we evaluated five commonly used ML approaches including multivariate adaptive regression spline, Gaussian mixture model, random forest, gradient boosting, and neural network. We selected five variables including LPLD event count, seismogenic b-value, hydraulic diffusivity, cumulative moment, and fluid volume as the features most likely to impact gas productivity at the stage level in the study area. The data-driven selection of these parameters for their importance in determining gas production can help reservoir engineers design more effective hydraulic-fracture treatments in the Marcellus Shale and other similar unconventional reservoirs. Plain language summary: We use machine-learning methods and data-driven selection of reservoir parameters to rank and better understand their importance in determining gas production, which can help reservoir engineers design more effective hydraulic-fracture treatments in the Marcellus Shale and other similar unconventional reservoirs.

58 GEOSCIENCES↗
DOE OSTI2025

Distribution Grid Model Publication Investigation

Interest in the external exchange of distribution grid model data is growing around the world, driven largely by the challenges and opportunities presented by the increasing amount of generation, storage, and flexible load being embedded within the distribution grid. This report provides an overview of the current state of distribution grid model data sharing, with a focus on the industry-leading activities currently underway in Great Britain (GB). A second report will explore opportunities for external distribution grid model sharing in the United States.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2024

Data Imbalance, Uncertainty Quantification, and Transfer Learning in Data‐Driven Parameterizations: Lessons From the Emulation of Gravity Wave Momentum Transport in WACCM

Abstract Neural networks (NNs) are increasingly used for data‐driven subgrid‐scale parameterizations in weather and climate models. While NNs are powerful tools for learning complex non‐linear relationships from data, there are several challenges in using them for parameterizations. Three of these challenges are (a) data imbalance related to learning rare, often large‐amplitude, samples; (b) uncertainty quantification (UQ) of the predictions to provide an accuracy indicator; and (c) generalization to other climates, for example, those with different radiative forcings. Here, we examine the performance of methods for addressing these challenges using NN‐based emulators of the Whole Atmosphere Community Climate Model (WACCM) physics‐based gravity wave (GW) parameterizations as a test case. WACCM has complex, state‐of‐the‐art parameterizations for orography‐, convection‐, and front‐driven GWs. Convection‐ and orography‐driven GWs have significant data imbalance due to the absence of convection or orography in most grid points. We address data imbalance using resampling and/or weighted loss functions, enabling the successful emulation of parameterizations for all three sources. We demonstrate that three UQ methods (Bayesian NNs, variational auto‐encoders, and dropouts) provide ensemble spreads that correspond to accuracy during testing, offering criteria for identifying when an NN gives inaccurate predictions. Finally, we show that the accuracy of these NNs decreases for a warmer climate (4 × CO 2 ). However, their performance is significantly improved by applying transfer learning, for example, re‐training only one layer using ∼1% new data from the warmer climate. The findings of this study offer insights for developing reliable and generalizable data‐driven parameterizations for various processes, including (but not limited to) GWs.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Explainable AI for a No-Teardown Vehicle Component Cost Estimation: A Top-Down Approach

The broader ambition of this article is to popularize an approach for the fair distribution of the quantity of a system's output to its subsystems while allowing for underlying complex subsystem level interactions. Particularly, we present the use of this framework on a very specific (but generalizable) application, interesting for a more general AI audience. Here, we detail a data-driven approach to vehicle price modeling and its component price estimation by leveraging a combination of concepts from machine learning and game theory. We show an alternative to common teardown methodologies and surveying approaches for component and vehicle price estimation at the manufacturer's suggested retail price (MSRP) level that has the advantage of bypassing uncertainties involved in gathering teardown data, the need to perform expensive and biased surveying, and the need to perform retail price equivalent or indirect cost multiplier adjustments to mark up direct manufacturing costs to MSRP. This novel exercise not only provides accurate pricing of the technologies at the customer level, but also shows the, a priori known, large gaps in pricing strategies between manufacturers, vehicle classes, market segments, etc. There is also clear interaction between the price of technologies and other specifications present in vehicles. Those results are indication that old methods of manufacturer-level component costing, aggregation, and application of flat and rigid adjustment factors should be carefully examined. The findings are based on a database developed by Argonne, which includes over 64,000 vehicles covering MY1990 to MY2020 with hundreds of vehicle specs.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Integrated edge-to-exascale workflow for real-time steering in neutron scattering experiments

We introduce a computational framework that integrates artificial intelligence (AI), machine learning, and high-performance computing to enable real-time steering of neutron scattering experiments using an edge-to-exascale workflow. Focusing on time-of-flight neutron event data at the Spallation Neutron Source, our approach combines temporal processing of four-dimensional neutron event data with predictive modeling for multidimensional crystallography. At the core of this workflow is the Temporal Fusion Transformer model, which provides voxel-level precision in predicting 3D neutron scattering patterns. The system incorporates edge computing for rapid data preprocessing and exascale computing via the Frontier supercomputer for large-scale AI model training, enabling adaptive, data-driven decisions during experiments. This framework optimizes neutron beam time, improves experimental accuracy, and lays the foundation for automation in neutron scattering. Although real-time experiment steering is still in the proof-of-concept stage, the demonstrated potential of this system offers a substantial reduction in data processing time from hours to minutes via distributed training, and significant improvements in model accuracy, setting the stage for widespread adoption across neutron scattering facilities and more efficient exploration of complex material systems.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Livewire: A Model Platform for Data Quality Assessment and AI Readiness Across DOE Missions

High-quality, well-governed data is essential for accelerating discovery and achieving operational excellence across DOE and national laboratory missions. The Livewire Data Platform is a DOE-supported platform that offers automated assessments of data quality, standardization, provenance, and Artificial Intelligence (AI) readiness. It allows researchers and data practitioners to systematically and easily evaluate datasets against established governance criteria and prepare them for advanced analytics. Livewire addresses critical challenges in DOE's data ecosystem with integrated capabilities for metadata validation, provenance tracking, and schema alignment. This platform's automated workflows assist users in identifying data quality gaps, enhancing interoperability between datasets collected from various stakeholders, and ensuring compliance with DOE data standards, all while reducing manual curation efforts. Additionally, we will discuss its AI readiness framework, which is being developed to prepare datasets for training models, developing advanced analytic tools, and machine learning applications. Using some of the more than one hundred tabular datasets on Livewire, processed with this open-source methodology, we will demonstrate how Livewire can serve as a model for scalable, standards-driven data management. This approach provides a pathway to leverage existing and future datasets within the DOE, boosting innovation and efficiency across national laboratories.

33 - ADVANCED PROPULSION SYSTEMS↗
NASA NTRS1988

Canopy reflectance modeling in a tropical wooded grassland

The Li-Strahler canopy reflectance model, driven by LANDSAT Thematic Mapper (TM) data, provided regional estimates of tree size and density in two bioclimatic zones in Africa. This model exploits tree geometry in an inversion technique to predict average tree size and density from reflectance data using a few simple patameters measured in the field and in the imagery. Reflectance properties of the trees were measured in the study sites using a pole-mounted radiometer. The measurements showed that the assumptions of the simple Li-Strahler model are reasonable for these woodlands. The field radiometer measurements were used to calculate the normalized difference vegetation index (NDVI), and the integrated NDVI over the canopy was related to crown volume. Predictions of tree size and density from the canopy model were used with allometric equations from the literature to estimate woody biomass and potential foliar biomass for the sites and for the regions. Estimates were compared with independent measurements made in the Sahelian sites, and to typical values from the literature for these regions and for similar woodlands. In order to apply the inversion procedure regionally, an area must first be stratified into woodland cover classes, and dry-season TM data were used to generate a stratum map of the study areas with reasonable accuracy. The method used was unsupervised classification of multi-data principal components images.

Simonett, David↗
NASA NTRSDate not supplied

Development of Carbon Flux Model Using ABI Data Over the Conterminous US

The satellite-driven carbon flux estimation has been playing important role to estimate continental-scale carbon budget. One of the biggest recent advances in the satellite-driven carbon flux modeling is utilization of high-frequent geostationary satellites to estimate diurnal cycle in carbon fluxes. The satellite based carbon flux estimation used the polar orbiting satellite sensors (e.g., Moderate Resolution Imaging Spectroradiometer (MODIS)), which allow us to observe target regions only once during the day. The new generation of geostationary satellite sensors provide frequent observations, often less than every 10 minutes. Here, we use GOES Advanced Baseline Imager (ABI) data to estimate hourly NEE over the conterminous US. We used the Terrestrial Observation Prediction System (TOPS) model for estimating hourly NEE. TOPS is a diagnostic ecosystem process model that simulates the fluxes of carbon and water through vegetation in response to climate variability. For the climate input, we developed hourly climate data using the same algorithm with NASA Earth Exchange Gridded Daily Meteorology (NEX-GDM) datasets based on machine learning techniques. The hourly climate data includes precipitation, maximum temperature, minimum temperature, dew point temperature, and solar radiation were derived from the Geostationary observations. The spatial patterns of ecosystem parameters used in TOPS are optimized using satellite Solar Induced Fluorescence (SIF) data. The high frequency GPP estimations from geostationary satellite sensors make it comparable to the instantaneous SIF data than daily GPP. We also used Ameriflux data for optimization of model parameters and the validation of the output. The derived data addresses the diurnal dynamics of carbon cycling at large scales and should help in reducing the uncertainties in carbon budget studies.

geostationary satellite↗
DOE OSTI2024

Search for resonant production of dark quarks in the dijet final state with the ATLAS detector

This paper presents a search for a new Z' resonance decaying into a pair of dark quarks which hadronise into dark hadrons before promptly decaying back as Standard Model particles. This analysis is based on proton-proton collision data recorded at $\sqrt{s}$ = 13 TeV with the ATLAS detector at the Large Hadron Collider between 2015 and 2018, corresponding to an integrated luminosity of 139 fb –1 . After selecting events containing large-radius jets with high track multiplicity, the invariant mass distribution of the two highest-transverse-momentum jets is scanned to look for an excess above a data-driven estimate of the Standard Model multijet background. No significant excess of events is observed and the results are thus used to set 95% confidence-level upper limits on the production cross-section times branching ratio of the Z' to dark quarks as a function of the Z' mass for various dark-quark scenarios.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS2014

The New NASA Orbital Debris Engineering Model ORDEM 3.0

The NASA Orbital Debris Program Office (ODPO) has released its latest Orbital Debris Engineering Model, ORDEM 3.0. It supersedes ORDEM 2.0. This newer model encompasses the Earth satellite and debris flux environment from altitudes of low Earth orbit (LEO) through geosynchronous orbit (GEO). Debris sizes of 10 microns through 1 m in non-GEO and 10 cm through 1 m in GEO are modeled. The inclusive years are 2010 through 2035. The ORDEM model series has always been data driven. ORDEM 3.0 has the benefit of many more hours from existing data sources and from new sources that weren't available to past versions. Returned surfaces, ground tests, and remote sensors all contribute data. The returned surface and ground test data reveal material characteristics of small particles. Densities of fragmentation debris particles smaller than 10 cm are grouped in ORDEM 3.0 in terms of high-, medium-, and lowdensities, along with RORSAT sodium-potassium droplets. Supporting models have advanced significantly. The LEO-to-GEO ENvironment Debris model (LEGEND) includes an historical and a future projection component with yearly populations that include launched and maneuvered intacts, mission related debris (MRD), and explosion and collision fragments. LEGEND propagates objects with ephemerides and physical characteristics down to 1 mm in size. The full LEGEND yearly population acts as an a priori condition for a Bayesian statistical model. Specific, well defined populations are added like the Radar Ocean Reconnaissance Satellite (RORSAT) sodium-potassium (NaK) droplets, recent major accidental and deliberate collision fragments, and known anomalous debris event fragments. For microdebris of sizes 10 microns to 1 mm the ODPO uses an in-house Degradation/Ejecta model in which a MLE technique is used with returned surface data to estimate populations. This paper elaborates on the upgrades of this model over previous versions highlighting the material density splits and consequences of that to the penetration risk to spacecraft.

Krisko, P. H.↗
NASA NTRS1988

Invertible canopy reflectance modeling of vegetation structure in semiarid woodland

The Li-Strahler canopy reflectance model, driven by Landsat Thematic Mapper (TM) data, provided regional estimates of tree size and density in two bioclimatic zones in West Africa. This model exploits tree geometry in an inversion technique to predict average tree size and density from reflectance data using a few simple parameters measured in the field (spatial pattern, shape, and size distribution of trees) and in the imagery (spectral signatures of scene components). The model was tested in sparse woodland and wooded grassland in the Sahelian and Sudanian bioclimatic zones in West Africa.

Franklin, Janet↗
DOE OSTI2026

Regularization by denoising diffusion models for solving inverse PDE problems with application to full waveform inversion

Partial differential equation (PDE)-governed inverse problems are fundamental across various scientific and engineering applications; yet they face significant challenges due to nonlinearity, ill-posedness, and sensitivity to noise. Here, we introduce a computational framework, regularization by denoising using diffusion models for partial differential equations (RED-DiffEq), by integrating physics-driven inversion and data-driven learning. RED-DiffEq leverages pretrained diffusion models as a regularization mechanism for PDE-governed inverse problems. We apply RED-DiffEq to solve the full waveform inversion problem in geophysics, a challenging seismic imaging technique that seeks to reconstruct high-resolution subsurface velocity models from seismic measurement data. Our method shows enhanced accuracy and robustness compared to benchmark methods. Additionally, it exhibits strong generalization and domain decomposition capacity, enabling the inversion of more complex velocity models with larger domains than those used in training the diffusion model. Our framework can also be directly applied to diverse PDE-governed inverse problems.

Shan, Siming [Yale University, New Haven, CT (Unit↗
DOE OSTI2021

Flipped SU(5) GUT phenomenology: proton decay and $\mathbf {g_\mu - 2}$

We consider proton decay and $\mathbf {g_\mu - 2}$ in flipped SU(5) GUT models. We first study scenarios in which the soft supersymmetry-breaking parameters are constrained to be universal at some high scale M in above the standard GUT scale where the QCD and electroweak SU(2) couplings unify. In this case the proton lifetime is typically > rsim10 36 years, too long to be detected in the foreseeable future, and the supersymmetric contribution to $\mathbf {g_\mu - 2}$ is too small to contribute significantly to resolving the discrepancy between the experimental measurement and data-driven calculations within the Standard Model. However, we identify a region of the constrained flipped SU(5) parameter space with large couplings between the 10- and 5-dimensional GUT Higgs representations where p → e + π 0 decay may be detectable in the Hyper-Kamiokande experiment now under construction, though the contribution to $\mathbf {g_\mu - 2}$ is still small. A substantial contribution to $\mathbf {g_\mu - 2}$ is possible, however, if the universality constraints on the soft supersymmetry-breaking masses are relaxed. We find a ‘quadrifecta’ region where observable proton decay co-exists with a (partial) supersymmetric resolution of the $\mathbf {g_\mu - 2}$ discrepancy and acceptable values of m h and the relic LSP density.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

W2VPCA: A Machine Learning Method for Measuring Attitudes With Natural Language

Company strategy influences many decisions in freight transportation. Behavioral models of company decision-making therefore could benefit from including strategy variables. However, strategy is difficult to observe and quantify. Attitudinal surveys of company executives can be used to collect measurements of latent strategy to use in quantitative models. However, surveys are costly and burdensome. Text mining methods to collect measurements overcome these issues somewhat, but typically require manual intervention and ignore the context of words, which can be problematic. This study introduces a new machine learning method to generate strategy measurement data from existing big text data. The new method, called W2VPCA, combines Natural Language Processing and Principal Components Analysis. W2VPCA produces measurement data that serve as quantitative indicators of latent strategy in behavioral models. W2VPCA is unsupervised, data-driven, and uses information on word context. We apply W2VPCA to generate measurements of latent strategies using readily available, large-scale text data: annual company reports. The empirical measurements are used successfully to associate two latent strategies, one focusing on distribution and the other on products, with truck fleet and distribution center outsourcing decisions. The main empirical outcome is that the W2VPCA measurements outperform Bag-of-Words measurements in a psychometric analysis of latent firm strategies. While this study focuses on freight behavioral models, W2VPCA may also have applications in behavioral modeling in other domains.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2014

The New NASA Orbital Debris Engineering Model ORDEM 3.0

The NASA Orbital Debris Program Office (ODPO) has released its latest Orbital Debris Engineering Model, ORDEM 3.0. It supersedes ORDEM 2000, now referred to as ORDEM 2.0. This newer model encompasses the Earth satellite and debris flux environment from altitudes of low Earth orbit (LEO) through geosynchronous orbit (GEO). Debris sizes of 10 micron through larger than 1 m in non-GEO and 10 cm through larger than 1 m in GEO are available. The inclusive years are 2010 through 2035. The ORDEM model series has always been data driven. ORDEM 3.0 has the benefit of many more hours of data from existing sources and from new sources than past ORDEM versions. The object data range in size from 10 μm to larger than 1 m, and include in situ and remote measurements. The in situ data reveals material characteristics of small particles. Mass densities are grouped in ORDEM 3.0 in terms of 'high-density', represented by 7.9 g/cc, 'medium-density' represented by 2.8 g/cc and 'low-density' represented by 1.4 g/cc. Supporting models have also advanced significantly. The LEO-to-GEO ENvironment Debris model (LEGEND) includes an historical and a future projection component with yearly populations that include launched and maneuvered intact spacecraft and rocket bodies, mission related debris, and explosion and collision event fragments. LEGEND propagates objects with ephemerides and physical characteristics down to 1 mm in size. The full LEGEND yearly population acts as an a priori condition for a Bayesian statistical model. Specific populations are added from sodium potassium droplet releases, recent major accidental and deliberate collisions, and known anomalous debris events. This paper elaborates on the upgrades of this model over previous versions. Sample validation results with remote and in situ measurements are shown, and the consequences of including material density are discussed as it relates to heightened risks to crewed and robotic spacecraft

Krisko, P. H.↗
NASA NTRS1987

Strategies for concurrent processing of complex algorithms in data driven architectures

The results of ongoing research directed at developing a graph theoretical model for describing data and control flow associated with the execution of large grained algorithms in a spatial distributed computer environment is presented. This model is identified by the acronym ATAMM (Algorithm/Architecture Mapping Model). The purpose of such a model is to provide a basis for establishing rules for relating an algorithm to its execution in a multiprocessor environment. Specifications derived from the model lead directly to the description of a data flow architecture which is a consequence of the inherent behavior of the data and control flow described by the model. The purpose of the ATAMM based architecture is to optimize computational concurrency in the multiprocessor environment and to provide an analytical basis for performance evaluation. The ATAMM model and architecture specifications are demonstrated on a prototype system for concept validation.

Stoughton, John W.↗
DOE OSTI2021

Data-driven estimation of energy consumption for electric bus under real-world driving conditions

Reliable and accurate estimation of an electric bus’s instantaneous energy consumption is critical in evaluating energy impacts of planning and control of electric bus operations. In this study, we developed machine learning-based long short-term memory (LSTM) and artificial neural network (ANN) models to estimate 1 Hz energy consumption of electric buses based on continuous monitoring data of electric buses in Chattanooga, Tennessee, in 2019 and 2020. We propose a data-partitioning algorithm to separate energy charging and discharging modes before applying data-driven estimation models. Here, a K-fold cross-validation-based model selection process was conducted to identify the optimal model structure and input variables in terms of prediction accuracy. The estimation results show the predicted mean absolute percentage error rates of LSTM and ANN models were 3% and 5%, respectively. We compared the proposed models with existing models in the literature based on the same testing data to demonstrate the predictability of our models.

Artificial neural network↗