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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 37 records · Page 2

ROM-based Subset Selection Algorithm for Efficient Surrogate Modeling

This summary discusses a new methodology to support the construction of surrogate models for computationally expensive models with many input parameters and output responses. In realistic engineering calculations, such as thermal-hydraulics simulation, the cost of the simulation is typically expensive, especially when detailed models are employed to describe system behavior, thereby justifying the need for surrogate models. The cost of surrogate model construction is typically a function of the number of model parameters and the degree of model nonlinearity. For sufficiently complex models, the cost of constructing the surrogate model could be by itself overwhelmingly expensive, thereby diminishing its value. One key requirement of surrogate model construction is the ability to preselect the best parametric form to describe the model behavior over the expected range of parameter variations. This summary presents a new algorithm to help select the best approximation out of a template of functions using recent advances in reduced order modeling (ROM) techniques. The idea of selecting functions out of a template is typically referred to as subset selection in the statistical and applied mathematics community. Different from existing subset selection algorithms, we rely on ROM to help identify the most influential functions for the surrogate model. Previous work has shown that ROM can help reduce the effective dimensionality of the parameter space, which can help reduce the cost of surrogate model construction. In this summary, we adopt a different philosophy, where the fitting functions are treated as pseudo parameters and ROM is applied on the pseudo parameter space, with the result now being a ranked list of the pseudo parameters along with their contribution to the quality of the surrogate model fit. This approach allows the analyst to discard all terms that have negligible impact on the quantity of interest. A relap5 model is employed to demonstrate the application of the proposed methodology. (authors)

42 ENGINEERING↗

Bayesian and LASSO Regressions for Comparative Permeability Modeling of Sandstone Reservoirs

In this research, Bayesian model averaging (BMA) and least absolute shrinkage and selection operator regression (LASSO) algorithms were adopted for the core permeability modeling as a function of well log and core measurements. More specifically, the core permeability (dependent factor) was modeled given the well log and core data (independent variables) and then predicted in non-cored intervals of a well in a sandstone formation. The BMA is a stochastic linear modeling and a Bayesian parameter selection. Among 50 linear models generated as a function of the independent variables and depicted in Occam’s window, the best model of the highest posterior probability is determined. The best model has the optimal subset parameters that most influences the response factor. The core permeability modeling was again conducted using the LASSO algorithm, which adopts a completely different way of modeling and subset selection by using the penalized least-squared equation. Both BMA and LASSO resulted in a very accurate prediction of the core permeability by achieving perfect measured and calculated permeability matching. Matches for the two algorithms were quantified by computing the adjusted R-squared and root-mean-squared prediction error. In addition, results of the BMA and LASSO were compared to the conventional multiple linear regression (LM). The LASSO algorithm led to an accurate matching similar to LM, but slightly better than BMA. Therefore, both BMA and LASSO represent integrated procedures for accurate permeability estimation similar to conventional regression analysis.

58 GEOSCIENCES↗

Estimated low-speed aerodynamic parameters of an advanced fighter from flight and wind tunnel data

A procedure for determination of aerodynamic model structure and estimation of aerodynamic parameters is applied to data from a modern fighter operating within an angle of attack range of 5 to 60 deg. The paper briefly describes the airplane, flight and wind tunnel data available, postulated models for airplane aerodynamic coefficients and flight data analysis. The results presented contain only a small number of selected longitudinal and lateral parameters. These parameters were obtained from various maneuvers and subsets of joined data from several flights. The estimated parameters are in good agreement with the wind tunnel measurements. The resulting aerodynamic model equations seem to be satisfactory for the prediction of airplane motion.

Klein, V.↗

A two step linear statistical technique using leaps and bounds procedure for retrieval of geophysical parameters from microwave radiometric data

A linear statistical technique using a 'leaps and bounds' procedure (Furnival and Wilson, 1974) is developed for retrieving geophysical parameters from remote measurements. It is used for retrieving sea surface temperatures from the Scaning Multichannel Microwave Radiometer (SMMR) on Seasat. The technique uses an efficient algorithm to select the best fixed-size subset of the 10 SMMR channels for linearly retrieving a given geophysical parameter. The 5-channel subset (6.6V, 6.6H 10H, 18V, 21H), where V and H refer to, respectively, the vertical and horizontal polarizations and the numbers are the channel frequencies in gigahertz, gives the minimum rms error in estimating the sea surface temperature. A comparison with ground truth indicates that the algorithm infers the temperature with an rms accuracy of better than 1.5 K under most environmental conditions. A quality control procedure which is seen as holding promise for further improving the accuracy is proposed.

Kakar, R. K.↗

On the applicability of surrogate-based Markov chain Monte Carlo-Bayesian inversion to the Community Land Model: Case studies at flux tower sites: SURROGATE-BASED MCMC FOR CLM

The Community Land Model (CLM) has been widely used in climate and Earth system modeling. Accurate estimation of model parameters is needed for reliable model simulations and predictions under current and future conditions, respectively. In our previous work, a subset of hydrological parameters has been identified to have significant impact on surface energy fluxes at selected flux tower sites based on parameter screening and sensitivity analysis, which indicate that the parameters could potentially be estimated from surface flux observations at the towers. To date, such estimates do not exist. In this paper, we assess the feasibility of applying a Bayesian model calibration technique to estimate CLM parameters at selected flux tower sites under various site conditions. The parameters are estimated as a joint probability density function (PDF) that provides estimates of uncertainty of the parameters being inverted, conditional on climatologically-average latent heat fluxes derived from observations. We find that the simulated mean latent heat fluxes from CLM using the calibrated parameters are generally improved at all sites when compared to those obtained with CLM simulations using default parameter sets. Further, our calibration method also results in credibility bounds around the simulated mean fluxes which bracket the measured data. The modes (or maximum a posteriori values) and 95% credibility intervals of the site-specific posterior PDFs are tabulated as suggested parameter values for each site. Analysis of relationships between the posterior PDFs and site conditions suggests that the parameter values are likely correlated with the plant functional type, which needs to be confirmed in future studies by extending the approach to more sites.

Huang, Maoyi↗

Self-Organizing-Map Program for Analyzing Multivariate Data

SOM_VIS is a computer program for analysis and display of multidimensional sets of Earth-image data typified by the data acquired by the Multi-angle Imaging Spectro-Radiometer [MISR (a spaceborne instrument)]. In SOM_VIS, an enhanced self-organizing-map (SOM) algorithm is first used to project a multidimensional set of data into a nonuniform three-dimensional lattice structure. The lattice structure is mapped to a color space to obtain a color map for an image. The Voronoi cell-refinement algorithm is used to map the SOM lattice structure to various levels of color resolution. The final result is a false-color image in which similar colors represent similar characteristics across all its data dimensions. SOM_VIS provides a control panel for selection of a subset of suitably preprocessed MISR radiance data, and a control panel for choosing parameters to run SOM training. SOM_VIS also includes a component for displaying the false-color SOM image, a color map for the trained SOM lattice, a plot showing an original input vector in 36 dimensions of a selected pixel from the SOM image, the SOM vector that represents the input vector, and the Euclidean distance between the two vectors.

Li, P. Peggy↗

Modern Era Retrospective Restrospective-Analysis for Research and Applications (MERRA) Data and Services at the GES DISC

The Modern Era Retrospective-analysis for Research and Applications (MERRA) dataset is a NASA satellite era, 30 year (1979 - present), reanalysis using the Goddard Earth Observing System Data Assimilation System, Version 5 (GEOS-5). The project, run out of NASA's Global Modeling and Assimilation Office at Goddard Space Flight Center, provides the science and application communities with a state-of-the-art global analysis with emphasis on improved estimates of the hydrological cycle over a broad range of weather and climate time scales. MERRA products are generated as a long-term synthesis that places the NASA EOS suite of observations in a climate context. The MERRA analysis is performed at a horizontal resolution of 2/3 longitude x 1/2 latitude (540x361 global gridpoints) with observational analyses every 6 hours. The MERRA output data will include 3 dimensional state fields for every 6 hourly analysis cycle on 42 pressure levels (or 72 terrain following model coordinate levels) from the surface through the stratosphere. Several data products are specifically designed to support chemistry and stratosphere transport modeling. The 2 dimensional surface and atmospheric diagnostics (numbering 259) are being stored on the native grid at 1 hourly intervals. These include radiation and vertical integrals of the atmosphere for water and energy budget studies and also surface diagnostics where the diurnal cycle is important. The one hourly surface and near surface data product will also facilitate research on the integrated analysis of Earth system observations in the land, ocean and cryosphere. The MERRA products are archived and distributed by the Goddard Earth Sciences Data and Information Services Center (GES DISC) through its Modeling DISC Web (MDISC) portal. Multiple data access methods and services are available for MERRA data through MDISC: (1) Mirador offers a quick, comprehensive search of MERRA and all GES DISC archived data holdings, allowing searches on keywords, location names or latitude/longitude box, and date/time, with responses within a few seconds. (2) Giovanni is a GES DISC developed Web application that provides data visualization and analysis online. Giovanni features popular visualizations such as latitude-longitude maps, animations, cross sections, profiles, time series, etc. and some basic statistical analysis functions such as scatter plots and correlation coefficient maps. Users are able to download results in several different formats, including Google Earth. (3) On-the-fly parameter subsetting of data within a spatial/temporal window is provided through a simple select and click Web page. (4) MERRA data are also available via OPeNDAP, GrADS Data Server (GDS) and can be converted to netCDF on the fly.

Berrick, Stephen W.↗

Pythia8 Quark and Gluon Jets (float32)

A float32 (single-precision) version of the quark and gluon jet dataset originally published by Komiske, Metodiev, and Thaler (Zenodo record 3164691). Only the 20-file subset without charm and bottom quark jets is included here. All simulation parameters and jet selection criteria are identical to the original: Pythia 8.226, √s = 14 TeV Quarks from WeakBosonAndParton:qg2gmZq, gluons from WeakBosonAndParton:qqbar2gmZg with the Z decaying to neutrinos FastJet 3.3.0, anti-k_t jets with R = 0.4 p_T^jet ∈ [500, 550] GeV, |y^jet| < 1.7 There are 20 files, each in compressed NumPy format (QG_jets_fp32_0.npz through QG_jets_fp32_19.npz). Each file contains two arrays: X: (100000, M, 4) — 50k quark and 50k gluon jets, randomly sorted, padded to max multiplicity M, with particle features (pt, rapidity, azimuthal angle, pdgid) stored as float32 y: (100000,) — jet labels, gluon = 0, quark = 1 The original dataset stores X in float64. Here X has been cast to float32, approximately halving file size. The y labels are unchanged. If you use this dataset, please cite the original Zenodo record and its associated paper: Komiske, Metodiev, Thaler, Energy Flow Networks: Deep Sets for Particle Jets, JHEP 01 (2019) 121, arXiv:1810.05165

energyflow↗

Pythia8 Quark and Gluon Jets (float16)

A float16 (half-precision) version of the quark and gluon jet dataset originally published by Komiske, Metodiev, and Thaler (Zenodo record 3164691). Only the 20-file subset without charm and bottom quark jets is included here. All simulation parameters and jet selection criteria are identical to the original: Pythia 8.226, √s = 14 TeV Quarks from WeakBosonAndParton:qg2gmZq, gluons from WeakBosonAndParton:qqbar2gmZg with the Z decaying to neutrinos FastJet 3.3.0, anti-k_t jets with R = 0.4 p_T^jet ∈ [500, 550] GeV, |y^jet| < 1.7 There are 20 files, each in compressed NumPy format (QG_jets_fp32_0.npz through QG_jets_fp32_19.npz). Each file contains two arrays: X: (100000, M, 4) — 50k quark and 50k gluon jets, randomly sorted, padded to max multiplicity M, with particle features (pt, rapidity, azimuthal angle, pdgid) stored as float32 y: (100000,) — jet labels, gluon = 0, quark = 1 The original dataset stores X in float64. Here X has been cast to float16, approximately halving file size. The y labels are unchanged. Users should be aware that float16 has limited dynamic range and precision. If you use this dataset, please cite the original Zenodo record and its associated paper: Komiske, Metodiev, Thaler, Energy Flow Networks: Deep Sets for Particle Jets, JHEP 01 (2019) 121, arXiv:1810.05165

energyflow↗

Pythia8 Quark and Gluon Jets (float8 e4m3FN)

A float8 (e4m3FN) quantized version of the quark and gluon jet dataset originally published by Komiske, Metodiev, and Thaler (Zenodo record 3164691). Only the 20-file subset without charm and bottom quark jets is included here. All simulation parameters and jet selection criteria are identical to the original: Pythia 8.226, √s = 14 TeV Quarks from WeakBosonAndParton:qg2gmZq, gluons from WeakBosonAndParton:qqbar2gmZg with the Z decaying to neutrinos FastJet 3.3.0, anti-k_t jets with R = 0.4 p_T^jet ∈ [500, 550] GeV, |y^jet| < 1.7 There are 20 files, each in compressed NumPy format (QG_jets_fp8e4m3fn_0.npz through QG_jets_fp8e4m3fn_19.npz). Each file contains two arrays: X: (100000, M, 4) — 50k quark and 50k gluon jets, randomly sorted, padded to max multiplicity M, with particle features (pt, rapidity, azimuthal angle, pdgid) y: (100000,) — jet labels, gluon = 0, quark = 1 Since NumPy has no native fp8 dtype, X is stored as float32, but the values have been quantized through TensorFlow's float8_e4m3fn type and carry only fp8 precision. The quantization procedure is as follows: a global per-channel scale factor is computed from the absolute maximum value across all 20 chunks (with FP8_MAX = 448.0, the maximum representable value of e4m3FN). Each chunk is then scaled into the fp8 dynamic range, round-tripped through tf.experimental.float8_e4m3fn, and scaled back. This global scaling ensures a consistent quantization grid across the full dataset. The y labels are unchanged. Users should be aware that e4m3FN has limited dynamic range and precision. We recommend verifying this format is appropriate for your application; for a less aggressive reduction see the float16 and float32 versions linked below. If you use this dataset, please cite the original Zenodo record and its associated paper: Komiske, Metodiev, Thaler, Energy Flow Networks: Deep Sets for Particle Jets, JHEP 01 (2019) 121, arXiv:1810.05165

DiLullo, Nicholas [Brown University] (ORCID:000000↗

Dark matter interpretations of ATLAS searches for the electroweak production of supersymmetric particles in $ \sqrt{s}=8 $ TeV proton-proton collisions

A selection of searches by the ATLAS experiment at the LHC for the electroweak production of SUSY particles are used to study their impact on the constraints on dark matter candidates. The searches use 20 fb -1 of proton-proton collision data at √s=8 TeV. A likelihood-driven scan of a five-dimensional effective model focusing on the gaugino-higgsino and Higgs sector of the phenomenological minimal supersymmetric Standard Model is performed. This scan uses data from direct dark matter detection experiments, the relic dark matter density and precision flavour physics results. Further constraints from the ATLAS Higgs mass measurement and SUSY searches at LEP are also applied. A subset of models selected from this scan are used to assess the impact of the selected ATLAS searches in this five-dimensional parameter space. These ATLAS searches substantially impact those models for which the mass m($\tilde{χ}$$0\atop{1}$) of the lightest neutralino is less than 65 GeV, excluding 86% of such models. The searches have limited impact on models with larger m($\tilde{χ}$$0\atop{1}$) due to either heavy electroweakinos or compressed mass spectra where the mass splittings between the produced particles and the lightest supersymmetric particle is small.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Survival of the most transferable at the top of Jacob’s ladder: Defining and testing the ω B97M(2) double hybrid density functional

A meta-generalized gradient approximation, range-separated double hybrid (DH) density functional with VV10 non-local correlation is presented. The final 14-parameter functional form is determined by screening trillions of candidate fits through a combination of best subset selection, forward stepwise selection, and random sample consensus (RANSAC) outlier detection. The MGCDB84 database of 4986 data points is employed in this work, containing a training set of 870 data points, a validation set of 2964 data points, and a test set of 1152 data points. Following an xDH approach, orbitals from the ωB97M-V density functional are used to compute the second-order perturbation theory correction. The resu|ting functional, ωB97M(2) is benchmarked against a variety of leading double hybrid density functionals, including B2PLYP-D3(BJ), B2GPPLYP-D3(BJ), ωB97X-2(TQZ), XYG3, PTPSS-D3(0), XYGJ-OS, DSD-PBEP86-D3(BJ), and DSD-PBEPBE-D3(BJ). Encouragingly, the overall performance of ωB97M(2) on nearly 5000 datq points clearly surpasses that of all of the tested density funstionals. As a Rung 5 density functional, ωB97M(2) completes our family of combinatorially optimized functionals, complementing B97M-V on Rung 3, and ωB97X-V and ωB97M-V on Rung 4. The results suggest that ωB97M(2) has the potential to serve as a powerful predictive tool for accurate and efficient electronic structure calculations of main-group chemistry.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Usage of Data-Encoded Web Maps with Client Side Color Rendering for Combined Data Access, Visualization and Modeling Purposes

Current approaches to satellite observation data storage and distribution implement separate visualization and data access methodologies which often leads to the need in time consuming data ordering and coding for applications requiring both visual representation as well as data handling and modeling capabilities. We describe an approach we implemented for a data-encoded web map service based on storing numerical data within server map tiles and subsequent client side data manipulation and map color rendering. The approach relies on storing data using the lossless compression Portable Network Graphics (PNG) image data format which is natively supported by web-browsers allowing on-the-fly browser rendering and modification of the map tiles. The method is easy to implement using existing software libraries and has the advantage of easy client side map color modifications, as well as spatial subsetting with physical parameter range filtering. This method is demonstrated for the ASTER-GDEM elevation model and selected MODIS data products and represents an alternative to the currently used storage and data access methods. One additional benefit includes providing multiple levels of averaging due to the need in generating map tiles at varying resolutions for various map magnification levels. We suggest that such merged data and mapping approach may be a viable alternative to existing static storage and data access methods for a wide array of combined simulation, data access and visualization purposes.

Pliutau, Denis↗

Evaluation of the potential of one to three SEASAT-SMMR channels in retrieving sea surface temperature

The scanning multichannel microwave radiometer (SMMR) aboard the SEASAT satellite measured emitted radiation in both horizontal and vertical polarizations at microwave frequencies of 6.6, 10.69, 18.0, 21.0 and 37.0 GHz. Retrieval algorithms, for sea surface temperature (SST) determination, from subsets of one to three SMMR channels are obtained by a two step statistical technique. The technique first selects the best subsets of a given size defined by an R2 criterion (coefficient of determination), of a given size by the application of an efficient 'leaps and bounds' technique on a statistical data base. It then performs a regression analysis on the selected subsets. The statistical data base employed a large (600) set of seasonally and geographically diverse atmospheric and surface parameters for radiative transfer calculations. The results of the study of one to three channel subset retrieval algorithms indicate the possibility of using 6.6V, 6.6H and 18V channels for SST determination from SEASAT-SMMR data.

Pandey, P. C.↗

Effects of random forest modeling decisions on biogeochemical time series predictions

Abstract Random forests (RF) are an increasingly popular machine learning approach used to model biogeochemical processes in the Earth system. While RF models are robust to many assumptions that complicate deterministic models, there are several important parameterization decisions for appropriate use and optimal model fit. We explored the role that parameter decisions, including training/testing data splitting strategies, variable selection, and hyperparameters play on RF goodness‐of‐fit by constructing models using 1296 unique parameter combinations to predict concentrations of nitrate, a key nutrient for biogeochemical cycling in aquatic ecosystems. Models were built on long‐term, publicly available water quality and meteorology time series collected by the National Estuarine Research Reserve monitoring network for two contrasting ecosystems representing freshwater and brackish estuaries. We found that accounting for temporal dependence when splitting data into training and testing subsets was key for avoiding over‐estimation of model predictive power. In addition, variable selection, the ratio of training to testing data, and to a lesser degree, variables per split and number of trees, were significant parameters for optimizing RF goodness‐of‐fit. We also explored how model parameter decisions influenced interpretation of the relative importance of predictors to the model, and model predictor‐dependent variable relationships, with results suggesting that both data structure and model parameterization influence these factors. Because much of the current RF literature is written for the computational and statistical science communities, the primary goal of this study is to provide guidelines for aquatic scientists new to machine learning to apply RF techniques appropriately to aquatic biogeochemical datasets.

54 ENVIRONMENTAL SCIENCES↗

Machine-Learning Assisted Identification of Battery Life Models

Predictive battery life models are commonly utilized to extrapolate degradation trends observed during accelerated aging tests for simulation of degradation in real-world applications. Thus, fitting accelerated aging data as accurately as possible and with low uncertainty is crucial for making believable projections of battery lifetime, but it is challenging to identify algebraic expressions that accurately fit multivariate degradation trends. A review of models published in literature reveal some common expressions for fitting calendar aging data, which is only dependent on temperature and state-of-charge, but no consistency across many models for fitting cycle aging data, indicating the need for a statistically rigorous data driven approach for developing empirical models. This talk will describe a machine-learning assisted method for identification of predictive battery life models utilizing bilevel optimization and symbolic regression. Bilevel optimization with cross-validation is used to statistically determine cell- and stress-dependent model parameters, while symbolic regression identifies both linear and multiplicative candidate expressions to predict stress-dependent degradation rates by selecting low-order subsets of features from a generated feature library. Because model expressions are identified empirically, it is crucial to ensure resulting models behave according to physical expectations, so the stability of models for interpolation or extrapolation is interrogated qualitatively through simulation and quantitatively through cross-validation and uncertainty quantification via bootstrap resampling. This model identification approach substantially improves upon models identified purely using expert judgement in terms of both accuracy and uncertainty. Model simulation and validation is then conducted by deriving a state-equation form of the predictive model, enabling simulation of battery aging under dynamic stresses. This enables validation of the predictive battery model on lab-based tests with varying conditions or on drive-cycle or application-cycle testing protocols. Parameter uncertainty can be carried forward into model simulation, giving lifetime estimates and confidence windows for cell- or system-level lifetime. The financial impact of battery model uncertainty can be estimated by incorporating uncertainty into a technoeconomic model.

battery↗

Plasma properties of driver gas following interplanetary shocks observed by ISEE-3

Plasma fluid parameters calculated from solar wind and magnetic field data to determine the characteristic properties of driver gas following a select subset of interplanetary shocks were studied. Of 54 shocks observed from August 1978 to February 1980, 9 contained a well defined driver gas that was clearly identifiable by a discontinuous decrease in the average proton temperature. While helium enhancements were present downstream of the shock in all 9 of these events, only about half of them contained simultaneous changes in the two quantities. Simultaneous with the drop in proton temperature the helium and electron temperature decreased abruptly. In some cases the proton temperature depression was accompanied by a moderate increase in magnetic field magnitude with an unusually low variance, by a small decrease in the variance of the bulk velocity, and by an increase in the ratio of parallel to perpendicular temperature. The cold driver gas usually displayed a bidirectional flow of suprathermal solar wind electrons at higher energies.

Zwickl, R. D.↗

OVERFLOW Analysis of Supersonic Retropropulsion Testingon the CobraMRV Mars Entry Vehicle Concept

The CFD solver OVERFLOW was used to simulate the CobraMRV undergoing supersonic retropropulsion (SRP) in the Langley Unitary Plan Wind Tunnel as part of a pre-test study. Aerodynamics of the CobraMRV are summarized and the sensitivity of vehicle loads to CFD parameters at a subset of operating conditions are investigated. Specific numerical methods, boundary conditions, and turbulence modeling options have been selected after considering the complex phenomena in SRP flows. Proper shock-capturing methods and dynamic grid adaption are necessary to correctly capture vehicle loads and dynamics. Present data indicates that at particular conditions, upstream asymmetries originating from the tunnel inflow plane contribute to measurable asymmetries on the CobraMRV heatshield.

OVERFLOW↗