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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 OSTI2018

Tundra Trait Team: A database of plant traits spanning the tundra biome

Motivation: The Tundra Trait Team (TTT) database includes field-based measurements of key traits related to plant form and function at multiple sites across the tundra biome. This dataset can be used to address theoretical questions about plant strategy and trade-offs, trait-environment relationships and environmental filtering, and trait variation across spatial scales, to validate satellite data, and to inform earth system model parameters. Main types of variable contained: The database contains 81,537 measurements of 18 plant traits. The most frequently measured traits (>1,000 observations each) include plant height, leaf area, specific leaf area, leaf fresh and dry mass, leaf dry matter content, leaf nitrogen content, leaf carbon content, leaf phosphorus content, seed mass, and stem specific density. Spatial location and grain: Measurements were collected in tundra habitats in both the northern and southern hemispheres, including Arctic sites in Alaska, Canada, Greenland, Fennoscandia, and Siberia and alpine sites in the European Alps, Colorado Rockies, Caucasus, Ural Mountains, Pyrenees, Australian Alps, and Central Otago Mountains (New Zealand). More than 99% of observations are georeferenced. Time period and grain: All data were collected between 1964 and 2016. A small number of sites have repeated trait measurements at two or more time periods. Major taxa and level of measurement: Trait measurements were made on 858 terrestrial vascular plant species growing in tundra habitats. Most observations are on individuals (87%), while a small number represent plot or site means or maximums per species. Software format: csv file and GitHub repository with data cleaning scripts in R; contribution to TRY plant trait database (www.try-db.org) to be included in the next version release.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Global root traits (GRooT) database

Motivation: Trait data are fundamental to the quantitative description of plant form and function. Although root traits capture key dimensions related to plant responses to changing environmental conditions and effects on ecosystem processes, they have rarely been included in large-scale comparative studies and global models. For instance, root traits remain absent from nearly all studies that define the global spectrum of plant form and function. Thus, to overcome conceptual and methodological roadblocks preventing a widespread integration of root trait data into large-scale analyses we created the Global Root Trait (GRooT) Database. GRooT provides readyto- use data by combining the expertise of root ecologists with data mobilization and curation. Specifically, we (a) determined a set of core root traits relevant to the description of plant form and function based on an assessment by experts, (b) maximized species coverage through data standardization within and among traits, and (c) implemented data quality checks. Main types of variables contained: GRooT contains 114,222 trait records on 38 continuous root traits. Spatial location and grain: Global coverage with data from arid, continental, polar, temperate and tropical biomes. Data on root traits were derived from experimental studies and field studies. Time period and grain: Data were recorded between 1911 and 2019. Major taxa and level of measurement: GRooT includes root trait data for which taxonomic information is available. Trait records vary in their taxonomic resolution, with subspecies or varieties being the highest and genera the lowest taxonomic resolution available. It contains information for 184 subspecies or varieties, 6,214 species, 1,967 genera and 254 families. Owing to variation in data sources, trait records in the database include both individual observations and mean values. Software format: GRooT includes two csv files. A GitHub repository contains the csv files and a script in R to query the database.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

S AP F LOWER : an automated tool for sap flow data preprocessing, gap-filling, and analysis using deep learning

Sap flow, a critical process in plant water use and ecosystem water cycles, is often measured using thermal dissipation probes (TDP) due to their ease of installation and continuous data collection. However, sap flow data frequently include noise, outliers, and gaps, creating challenges for analysis and requiring substantial manual processing. We developed S AP F LOWER , a tool that automates data preprocessing, model training, gap-filling, sapwood area scaling and modeling, and water use analysis. It integrates autocleaning, machine learning and deep learning models (e.g. random forest, Gaussian process regression, long short-term memory (LSTM), bidirectional LSTM (BiLSTM)), and efficient workflows to process sap flow data. S AP F LOWER can remove over 90% of noisy data while preserving legitimate variations and achieve high accuracy in gap-filling based on user-determined parameters. Random forest, LSTM, and BiLSTM models reduced root mean square error to 10% or less for long-term gaps. Model training and prediction can be performed efficiently within seconds. S AP F LOWER significantly enhances the efficiency and accessibility of TDP data analysis by automating complex tasks, enabling researchers without programming expertise to employ advanced techniques. Future improvements will focus on species-specific corrections for TDP and support for additional measurement methods. S AP F LOWER is openly available on GitHub (https://github.com/JiaxinWang123/SapFlower) and Zenodo (doi: 10.5281/zenodo.13665919).

ecosystem water balance↗
DOE OSTI2018

HiSpatialCluster: A novel high‐performance software tool for clustering massive spatial points

Abstract In the era of big data, spatial clustering is a very important means for geo‐data analysis. When clustering big geo‐data such as social media check‐in data, geotagged photos, and taxi trajectory points, traditional spatial clustering algorithms are facing more challenges. On the one hand, existing spatial clustering tools cannot support the clustering of massive point sets; on the other hand, there is no perfect solution for self‐adaptive spatial clustering. In order to achieve clustering of millions or even billions of points adaptively, a new spatial clustering tool—HiSpatialCluster—was proposed, in which the CFSFDP (clustering by fast search and finding density peaks) idea to find cluster centers and the DBSCAN (density‐based spatial clustering of applications with noise) idea of density‐connect filtering for classification are introduced. The tool’s source codes and other resources have been released on Github, and experimental evaluation was performed through clustering massive taxi trajectory points and Flickr geotagged photos in Beijing, China. The spatial clustering results were compared with those through K‐means and DBSCAN as well. As a spatial clustering tool, HiSpatialCluster is expected to play a fundamental role in big geo‐data research. First, this tool enables clustering adaptively on massive point datasets with uneven spatial density distribution. Second, the density‐connect filter method is applied to generate homogeneous analysis units from geotagged data. Third, the tool is accelerated by both parallel CPU and GPU computing so that millions or even billions of points can be clustered efficiently.

Chen, Yiran↗
DOE OSTI2023

Physical vapor deposition simulator by graphical processor unit ray casting

This paper presents fast, accurate software for modeling physical vapor deposition systems over irregular surfaces. The model is implemented using graphics processing unit (GPU) ray casting. Applied models are viewed as a cross section of the area of interest. Given evaporation rate, time, and angular profiles in a vacuum system, an iterative time-step approach for calculating deposition profiles is calculated in the GPU architecture following a ballistic modeling approach. Thin-film technologies for the electronics industry will require evaporations on complex surfaces. Depending on the nature of the surface, a uniform thin film across the topology is wanted for various device parameters. The ray casting method is tested against various profiles. The code is freely distributed on GitHub (see https://github.com/adam-r-thomas/PVDS).

Engineering↗
DOE OSTI2023

Generalized analytical and numerical modeling of optical second harmonic generation in anisotropic crystals and complex heterostructures using #SHAARP package

Optical second harmonic generation (SHG) is a nonlinear optical effect widely used for nonlinear optical microscopy and laser frequency conversion. The closed-form analytical solution of the nonlinear optical responses is essential for evaluating the optical responses of new materials whose optical properties are unknown a priori. Many approximations have therefore been employed in the existing analytical approaches, such as slowly varying approximation, weak reflection of the nonlinear polarization, transparent medium, high crystallographic symmetry, Kleinman symmetry, easy crystal orientation along a high-symmetry direction, phase matching conditions and negligible interference among nonlinear waves, which may lead to large errors in the reported material properties. To avoid these approximations, here we have developed an open-source package named Second Harmonic Analysis of Anisotropic Rotational Polarimetry (#SHAARP) for single interface (si) and in multilayers (ml) for homogeneous crystals. The reliability and accuracy are established by experimentally benchmarking with both the SHG polarimetry and Maker fringes predicted from the package using standard materials. SHAARP.si and SHAARP.ml are available through GitHub https://github.com/Rui-Zu/SHAARP and https://github.com/bzw133/SHAARP.ml, respectively.

complex systems↗
DOE OSTI2019

Learning from Dynamic User Interaction Graphs to Forecast Diverse Social Behavior

Most of the existing graph analytics for understanding social be- havior focuses on learning from static rather than dynamic graphs using hand-crafted network features or recently emerged graph embeddings learned independently from a downstream predictive task, and solving predictive (e.g., link prediction) rather than fore- casting tasks directly. To address these limitations, we propose (1) a novel task – forecasting user interactions over dynamic social graphs, and (2) a novel deep learning, multi-task, node-aware at- tention model that focuses on forecasting social interactions, going beyond recently emerged approaches for learning dynamic graph embeddings. Our model relies on graph convolutions and recurrent layers to forecast future social behavior and interaction patterns in dynamic social graphs. We evaluate our model on the ability to forecast the number of retweets and mentions of a specific news source on Twitter (focusing on deceptive and credible news sources) with R2 of 0.79 for retweets and 0.81 for mentions. An additional evaluation includes model forecasts of user-repository interactions on GitHub and comments to a specific video on YouTube with a mean absolute error close to 2% and R2 exceeding 0.69. Our results demonstrate that learning from connectivity information over time in combination with node embeddings yields better forecasting results than when we incorporate the state-of-the-art graph em- beddings e.g., Node2Vec and DeepWalk into our model. Finally, we perform in-depth analyses to examine factors that influence model performance across tasks and different graph types e.g., the influence of training and forecasting windows as well as graph topological properties.

Shrestha, Prasha↗
DOE OSTI2020

The ESIF-HPC-2 Benchmark Suite

We describe the development of the ESIF-HPC-2 benchmark suite, a collection of kernel and application benchmark codes for measuring computational and I/O performance from single nodes to full HPC systems that was used for acceptance testing in our recent HPC procurement. The configurations of the benchmarks used for our system is presented. We also describe a set of "dimensions" that can be used to classify benchmarks and assess coverage of a suite systematically. The collection is offered cost-free as a GitHub repository for general usage and further development.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Evaluation of OpenAI Codex for HPC Parallel Programming Models Kernel Generation

We evaluate AI-assisted generative capabilities on fundamental numerical kernels in high-performance computing (HPC), including AXPY, GEMV, GEMM, SpMV, Jacobi Stencil, and CG. We test the generated kernel codes for a variety of language-supported programming models, including (1) C++ (e.g., OpenMP [including offload], OpenACC, Kokkos, SyCL, CUDA, and HIP), (2) Fortran (e.g., OpenMP [including offload] and OpenACC), (3) Python (e.g., numpy, Numba, cuPy, and pyCUDA), and (4) Julia (e.g., Threads, CUDA.jl, AMDGPU.jl, and KernelAbstractions.jl). We use the GitHub Copilot capabilities powered by the GPT-based OpenAI Codex available in Visual Studio Code as of April 2023 to generate a vast amount of implementations given simple + + prompt variants. To quantify and compare the results, we propose a proficiency metric around the initial 10 suggestions given for each prompt. Results suggest that the OpenAI Codex outputs for C++ correlate with the adoption and maturity of programming models. For example, OpenMP and CUDA score really high, whereas HIP is still lacking. We found that prompts from either a targeted language such as Fortran or the more general purpose Python can benefit from adding code keywords, while Julia prompts perform acceptably well for its mature programming models (e.g., Threads and CUDA.jl). We expect for these benchmarks to provide a point of reference for each programming model's community. Overall, understanding the convergence of large language models, AI, and HPC is crucial due to its rapidly evolving nature and how it is redefining human-computer interactions.

Godoy, William↗
DOE OSTI2023

Sparse Approximate Multifrontal Factorization with Composite Compression Methods

This article presents a fast and approximate multifrontal solver for large sparse linear systems. In a recent work by Liu et al., we showed the efficiency of a multifrontal solver leveraging the butterfly algorithm and its hierarchical matrix extension, HODBF (hierarchical off-diagonal butterfly) compression to compress large frontal matrices. The resulting multifrontal solver can attain quasi-linear computation and memory complexity when applied to sparse linear systems arising from spatial discretization of high-frequency wave equations. To further reduce the overall number of operations and especially the factorization memory usage to scale to larger problem sizes, in this article we develop a composite multifrontal solver that employs the HODBF format for large-sized fronts, a reduced-memory version of the nonhierarchical block low-rank format for medium-sized fronts, and a lossy compression format for small-sized fronts. This allows us to solve sparse linear systems of dimension up to 2.7 × larger than before and leads to a memory consumption that is reduced by 70% while ensuring the same execution time. The code is made publicly available in GitHub.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

The Role of Data Filtering in Open Source Software Ranking and Selection

Faced with more than 100M open source projects, a more manageable small subset is needed for most empirical investigations. More than half of the research papers in leading venues investigated filtering projects by some measure of popularity with explicit or implicit arguments that unpopular projects are not of interest, may not even represent "real" software projects, or that less popular projects are not worthy of study. However, such filtering may have enormous effects on the results of the studies if and precisely because the sought-out response or prediction is in any way related to the filtering criteria.This paper exemplifies the impact of this common practice on research outcomes, specifically how filtering of software projects on GitHub based on inherent characteristics affects the assessment of their popularity. Using a dataset of over 100,000 repositories, we used multiple regression to model the number of stars -a commonly used proxy for popularity- based on factors such as the number of commits, the duration of the project, the number of authors and the number of core developers. Our control model included the entire dataset, while a second filtered model considered only projects with ten or more authors. The results indicated that while certain characteristics of the repository consistently predict popularity, the filtering process significantly alters the relationships between these characteristics and the response. We found that the number of commits exhibited a positive correlation with popularity in the control sample but showed a negative correlation in the filtered sample. These findings highlight the potential biases introduced by data filtering and emphasize the need for careful sample selection in empirical research of mining software repositories. We recommend that empirical work should either analyze complete datasets such as World of Code, or employ stratified random sampling from a complete dataset to ensure that filtering is not biasing the results.

Malviya Thakur, Addi↗
DOE OSTI2025

OmniFed: A Modular Framework for Configurable Federated Learning from Edge to HPC

Federated Learning (FL) is critical for edge and High Performance Computing (HPC) where data is not centralized and privacy is crucial. We present OmniFed, a modular framework designed around decoupling and clear separation of concerns for configuration, orchestration, communication, and training logic. Its architecture supports configuration-driven prototyping and code-level override-what-you-need customization. We also support different topologies, mixed communication protocols within a single deployment, and popular training algorithms. It also offers optional privacy mechanisms including Differential Privacy (DP), Homomorphic Encryption (HE), and Secure Aggregation (SA), as well as compression strategies. These capabilities are exposed through well-defined extension points, allowing users to customize topology and orchestration, learning logic, and privacy/compression plugins, all while preserving the integrity of the core system. We evaluate multiple models and algorithms to measure various performance metrics. By unifying topology configuration, mixed-protocol communication, and pluggable modules in one stack, OmniFed streamlines FL deployment across heterogeneous environments. Github repository is available at https://github.com/at-aaims/OmniFed.

Tyagi, Sahil [ORNL] (ORCID:0009000783144745)↗
DOE OSTI2022

Glass Refraction Distortion Object Detection via Abstract Features

Glass reflection and refraction lead to missing and distorted object feature data, affecting the accuracy of object detection. In order to solve the above problems, this paper proposed a glass refraction distortion object detection via abstract features. The number of parameters of the algorithm is reduced by introducing skip connections and expansion modules with different expansion rates. The abstract feature information of the object is extracted by binary cross-entropy loss. Meanwhile, the abstract feature distance between the object domain and source domain is reduced by a loss function, which improves the accuracy of object detection under glass interference. To verify the effectiveness of the algorithm in this paper, the GRI dataset is produced and made public on GitHub. The algorithm of this paper is compared with the current state-of-the-art Deep Face, VGG Face, TBE-CNN, DA-GAN, PEN-3D, LMZMPM, and the average detection accuracy of our algorithm is 92.57% at the highest, and the number of parameters is only 5.13 M.

Cai, Lei↗
DOE OSTI2017

CIVET: Continuous Integration, Verification, Enhancement, and Testing

A Git server (GitHub, GitLab, BitBucket) sends event notifications to the Civet server. These are either a " Pull Request" or a "Push" notification. Civet then checks the database to determine what tests need to be run and marks them as ready to run. Civet clients, running on dedicated machines, query the server for available jobs that are ready to run. When a client gets a job it executes the scripts attached to the job and report back to the server the output and exit status. When the client updates the server, the server will also update the Git server with the result of the job, as well as updating the main web page.

Alger, Brian↗
DOE OSTI2018

Concepts and Meta-Programming Library

CAMP provides a portable optimized implementation of template meta-programming primitives. All capabilities found within are available in other open source projects, including metal and mpl among others, but no other library we know of supports all compilers required by LLNL codes. CAMP serves as an efficient facility for writing portable compile-time operations in C++ codes. It was developed as part of the RAJA project to facilitate more complex compile-time introspection and better error message delivery to users, but has since proven useful in Umpire, CHAI and other pre-release LLNL software projects and is thus being re-factored to stand alone. The CAMP library uses portable C++ template mechanisms almost exclusively, with the exception of intrinsics provided for performance by some compilers such as clang and gee. There are no private or protected interfaces and no proprietary information included in the source. Any and all future versions will limit themselves to implementing commonly available and well known primitives for compile-time manipulation of types. A new public github repository will be created to host the code independent of its current location in the raja repository, likely at github.com/llnl/camp.

Kunen, AdamJ.↗
DOE OSTI2019

Solar System Initial Abundnace Reader

This code is a simply python module that allows the user to read in the solar system value from a provided database. It simply reads in the database, and calculates ratios with various values. Currently, the solar system values from Lodders et al. (2009) are solely included. The tool is designed to assist a astrophysics / cosmochemist user in their daily life of calculating those ratios for programs and was written by the author to simplify his own life. A setup.py routine has been written as well. Release is anticipated via github as well as in the form of a pypi package.

Trappitsch, RetoG.↗
DOE OSTI2020

SNL-NJOY-2016

This is a wrapper around the LANL NJOY-2016 code that interfaces with extended code capabilities and minor modification of the LANL NJOY-2016 code that supports modeling radiation damage to materials. The NJOY Nuclear Data Processing System is a modular computer code designed to read evaluated data in ENDF format, transform the data in various ways, and output the results as libraries designed to be used in various applications. The wrapper provided here permits Sandia-specific control parameters to be used in the input data file. The modifications incorporated here enhance the ability of NJOY to address material damage response functions for many materials, e.g. to include the NRT and arc-dpa forms of the damage energy in addition to the default NJOY-2016 implementation of the sharp-threshold Kinchin-Pease threshold energy treatment. All of the modifications provided here are being made available to the GitHub-based NJOY-2016 code. As useful enhancements found here are incorporated into the baseline NJOY-2016 code, they will be eliminated from this version so as to maintain our compatibility with the baseline NJOY-2016 code. SAND2020-13060 M Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-NA00035

Griffin, Patrick↗
DOE OSTI2020

turbine-models

The (wind) turbine-models GitHub repo hosts an archive/database of turbine models already in the public domain. This includes mainly tabular power and thrust (when available) curve data in .csv files, other technical data, as well as documentation and references built with Sphinx/GitHub Pages. There is a script called "curve_parser.py" to assist with the parsing of power and thrust curves, but this repo is mostly a central location for turbine model data.

Duffy, Patrick↗