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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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

PyKrev: A Python Library for the Analysis of Complex Mixture FT-MS Data

In this study, we present PyKrev, a Python library for the analysis of complex mixture Fourier transform mass spectrometry (FT-MS) data. PyKrev is a comprehensive suite of tools for analysis and visualization of FT-MS data after formula assignment has been performed. These comprise formula manipulation and calculation of chemical properties, intersection analysis between multiple lists of formulas, calculation of chemical diversity, assignment of compound classes to formulas, multivariate analysis, and a variety of visualization tools producing van Krevelen diagrams, class histograms, PCA score, and loading plots, biplots, scree plots, and UpSet plots. The library is showcased through analysis of hot water green tea extracts and Scotch whisky FT-ion cyclotron resonance-MS data sets. PyKrev addresses the lack of a single, cohesive toolset for researchers to perform FT-MS analysis in the Python programming environment encompassing the most recent data analysis techniques used in the field.

47 OTHER INSTRUMENTATION↗
NASA NTRSDate not supplied

Visualizing UPSP Data with Python

The Unsteady Pressure-Sensitive Paint (uPSP) projects uses Pressure-Sensitive paint applied over aerospace models during wind tunnel testing to collect pressure data with high spatial and temporal resolution in order to inform unsteady aerodynamics studies. For each of the 800+ experimental runs, four cameras generate up to 50 GB of video data, which must then be processed, analyzed, and visualized on the NASA Advanced Supercomputing system (NAS) to assess the result. One of the final data analysis products is the dynamic modal decomposition (DMD) results, which decomposes the pressure reading signals by their frequency component. The goal of this project is to visualize the DMD results over a 3D rendering of the model, using efficient and parallelized python routines. The software uses the pytecplot library, a high-level API that connects python scripting to a Tecplot 360 engine. Tecplot is an industry standard high-performance visualization tool that can handle large datasets and workflow. Various animation, rendering, and image-combination techniques were investigated to generate the final videos using OpenCV on the NAS. The final result is a software tool that takes in data products from the uPSP processing chain and generates high resolution visualization videos in parallel for every data file, allowing researchers to view their results efficiently and at an unprecedentedly detailed level.

Emma Dolores McMillian↗
DOE OSTI2025

bmdrc: Python package for quantifying phenotypes from chemical exposures with benchmark dose modeling

Though chemical exposures are known to potentially have negative impacts on health, including contributing to chronic diseases such as cancer, the quantitative contribution of risk is not fully understood for every chemical. A commonly used approach to quantify levels of risk is to measure the proportion of organisms (such as a total number of zebrafish on a plate or mice in a cage) with abnormal behavioral responses or morphology at increasing concentrations of chemical exposure. A particular challenge with processing the proportional data from these assays is the appropriate estimation of chemical concentration levels that result in malformations or acute toxicity, as these values typically vary between experimental measurements. The recommended approach by the Environmental Protection Agency (EPA) is to fit benchmark dose curves with specific filters and model fitting steps, which are crucial to properly processing the proportional data. Several tools exist for the fitting of benchmark dose response curves, but none are standalone Python libraries built to process both morphological and behavioral data as proportions with all the EPA recommended filters, filter parameters, models, and model parameters. Thus, here we present the benchmark dose response curve (bmdrc) Python library, which was built to closely follow these EPA guidelines with helpful visualizations of filters and fitted model curves, and reports for reproducibility purposes. bmdrc is open-source and has demonstrated utility as a support package to an existing web portal for information on chemicals (https://srp.pnnl.gov). Our package will support any toxicology analysis where the response is a proportional value at increasing levels of a concentration of a chemical or chemical mixture.

Superfund↗
DOE OSTI2019

Remote Sensor Design for Visual Recognition with Convolutional Neural Networks

While deep learning technologies for computer vision have developed rapidly since 2012, modeling of remote sensing systems has remained focused around human vision. In particular, remote sensing systems are usually constructed to optimize sensing cost-quality trade-offs with respect to human image interpretability. While some recent studies have explored remote sensing system design as a function of simple computer vision algorithm performance, there has been little work relating this design to the state-of-the-art in computer vision: deep learning with convolutional neural networks. We develop experimental systems to conduct this analysis, showing results with modern deep learning algorithms and recent overhead image data. Our results are compared to standard image quality measurements based on human visual perception, and we conclude not only that machine and human interpretability differ significantly, but that computer vision performance is largely self-consistent across a range of disparate conditions. This repository contains all the code required to replicate the results of our research paper, and the corresponding docker environment in which that code can be executed. All code is written in Python3 and utilizes the PyTorch library (v1.0) for neural network model training and evaluation. Jupyter notebooks are used to visualize images transformed with our code, in addition to plotting experimental results. We also include the specific parameter files used to execute our experiments, with the intent that these experiments can be replicated.

Zelinski, michaelE.↗
NASA NTRS2014

Robot Task Commander with Extensible Programming Environment

A system for developing distributed robot application-level software includes a robot having an associated control module which controls motion of the robot in response to a commanded task, and a robot task commander (RTC) in networked communication with the control module over a network transport layer (NTL). The RTC includes a script engine(s) and a GUI, with a processor and a centralized library of library blocks constructed from an interpretive computer programming code and having input and output connections. The GUI provides access to a Visual Programming Language (VPL) environment and a text editor. In executing a method, the VPL is opened, a task for the robot is built from the code library blocks, and data is assigned to input and output connections identifying input and output data for each block. A task sequence(s) is sent to the control module(s) over the NTL to command execution of the task.

Hart, Stephen W↗
DOE OSTI2018

LIQUID

LIQUID is a software tool for identifying lipids in LC-MS/MS-based lipidomics data. It is described in publication LIQUID: an-open source software for identifying lipids in LC-MS/MS-based lipidomics data (doi: 10.1093/bioinformatics/btx046). LIQUID provides users with the capability to process high throughput data and contains a customizable target library and scoring model per project needs. The graphical user interface provides visualization of multiple lines of spectral evidence for each lipid identification, allowing rapid examination of data for making confident identifications of lipid molecular species.

Payne, Sam↗
DOE OSTI2025

Raptor

Raptor is an efficient Python-based tool for predicting the formation and morphology of stochastic lack of fusion defects in metal AM processes. A major obstacle for the qualification and certification of additively manufactured parts in critical applications continues to be performance variability caused in part by porosity-related defects. High-fidelity process models that could predict these defect features are currently too computationally expensive for component-level analysis. To address this, Raptor employs a high-performance geometric method to model the dynamic melt pool rather than relying on computationally intensive thermal fluid dynamics. This allows Raptor to rapidly identify regions of unmelted material that correspond to lack of fusion pores. The efficiency of this approach significantly reduces the time and resources needed for generating 3D defect predictions, which enables users to conduct large-scale parameter studies and evaluate how process variations affect part quality. The framework offers operational flexibility; users can execute simulations through a simple command line interface or integrate core functions as a library within larger computational workflows. Simulation outputs include 3D porosity maps for visualization and tools for quantitative morphological analysis. These results are suitable for direct comparison with experimental characterization data from methods such as X-ray computed tomography and can be used for statistical process optimization.

Subraveti, Vamsi [Vanderbilt Univ., Nashville, TN ↗
NASA NTRS2019

Updating the Space Communications and Navigation (SCaN) Link Tool Executable Software to Version 5

NASA’s Space Communications and Navigation (SCaN) program is responsible for providing space communication channels in low Earth orbit, geosynchronous orbit, and deep space for a variety of space missions. The SCaN Link Tool is a standalone, executable, and personal computer (PC)-based software operated via a user interface, which provides NASA civil servants and contractors, as well as the public by way of the tool’s inclusion in the NASA Software Catalog, with in-depth satellite communications link analysis capability. Version 4 of the tool was built using PythonTM (Python Software Foundation) with the help of libraries such as NumPy and SciPy for numerical calculations, Matplotlib for graphical visualizations, and PyQt5 for the graphical user interface. It utilizes radiofrequency (RF) and optical communications link analysis calculations to give users the ability to input known link parameters and calculate select link performance outputs. With the development of the next-generation architecture for space satellite communications in the coming decade, NASA will benefit by having more in-depth communications link analysis tools at its disposal. The tool’s update from version 4 to version 5 aims to provide higher output value accuracy, the ability to solve for a more diverse set of output variables, as well as analog and digital repeater capabilities. Options included in the tool’s functionality, such as the ability to save configuration parameter values, graphs, and results, as well as the provision of default parameter values, increase the tool’s versatility. Users will have access to in-depth, accurate communications link analysis as more advanced satellite constellations are designed and deployed by NASA and the growing commercial aerospace community.

Green, Jack L.↗
DOE OSTI2024

Vistransformers Explained

The Vistransformers Explained library is a collection of python notebooks that demonstrate the internal mechanics and uses of visual-transformer (ViT) machine learning models. The code implements, with mild modifications, ViT models that have been made publicly available through publication and GitHub code. The value added by this code is in-depth explanations of the mathematics behind the sub-modules of the ViT models, including original figures. Additionally, the library contains the code necessary to implement and train the ViT models. The library does not include example training data for the models; instead, it would rely on users generating their own datasets. The code is based on the PyTorch python library. It does not include any files other than python scripts, modules, or notebooks.

Callis, Skylar↗
DOE OSTI2020

Hypergraph Analytics of Domain Name System Relationships

We report on the use of novel mathematical methods in hypergraph analytice over a large quantity of DNS data. Hypergraphs generalize graphs, as used in network science, to better model complex multiway relations in cyber data. Specifically, casting DNS data from Georgia Tech's ActiveDNS repository as hypergraphs allows us to fully represent the interactions between {\em collections} of domains and IP addresses. To facilitate large-scale analytics, we fielded an analytical pipeline of two capabilities. HyperNetX (HNX) is a Python package for the exploration and visualization of hypergraphs, acting as a frontend. For the backend, the Chapel HyperGraph Library (CHGL) is a library for high performance hypergraph analytics written in the exascale programming language Chapel. CHGL was used to process gigascale DNS data, performing compute-intensive calculations for data reduction and segmentation. Identified portions are then sent to HNX for both exploratory analysis and knowledge discovery targeting known tactics, techniques, and procedures.

Joslyn, Cliff A.↗
DOE OSTI2020

Production Operations Management System (POMS) for Fermilab Experiments

The Production Operations Management System (POMS) software allows production teams and analysis groups across multiple Fermilab experiments to launch, modify and monitor large scale campaigns of related Monte Carlo or data processing jobs, and currently manages the majority of production computing of experiments at Fermilab.POMS provides a web service interface that enables automated job submission on distributed resources according to customers’ requests, as well as subsequent monitoring of those submissions as well as recovery of failed submissions, debugging and record keeping.POMS interfaces with existing HEP data access, processing, movement and monitoring tools at Fermilab, including Jobsub (for job submission), SAM (for data management), and Landscape (for monitoring), and in combination with them handles the creation of intermediate datasets of files for multistage campaigns.POMS visualizes these campaigns with an interactive GUI interface. An important feature of POMS is a one-to-one connection between the GUI campaign visualizer and a text based representation of the complete campaign configuration. An extensible library of template campaign configurations is available. The templates are user modifiable and map cleanly to and from the GUI description of the campaign.This paper will discuss the current usage, history, and some technical details of POMS, as well as planned future extensions, particularly interfacing with Rucio as well as SAM for file movement.

Mengel, Marc↗
DOE OSTI2019

Production Operations Management System

The Production Operations Management System (POMS) is a set of software tools which allows production teams and analysis groups across multiple Fermilab experiments to launch, modify and monitor large scale campaigns of related Monte Carlo or data processing jobs. POMS provides a web service interface that enables automated jobs submission on distributed resources according to customers’ requests and subsequent monitoring and recovery of failed submissions, debugging and record keeping. POMS interfaces with existing HEP data access, processing, movement and monitoring tools at Fermilab, including Jobsub, dCache, SAM, and FIFEmon, and in combination with them handles the creation and tracking of unique filenames for multistage campaigns. A flexible, interactive GUI interface exists as part of the system to visualize campaign stages, parallelization tracks and data flow. An important feature of POMS is a one-to-one connection between the GUI campaign visualizer and a text based representation of the complete campaign configuration. An extensible library of template campaign configurations is available. The templates are user modifiable and map cleanly to and from the GUI description of the campaign. Future releases of POMS will interface with Rucio for file movement.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

VTK-m User's Guide (V.1.8)

Extreme scale systems require a new programming model and a fundamental change in how we design algorithms. To address these issues we created VTK-m: the visualization toolkit for multi-/many-core architectures. VTK-m supports a number of algorithms and the ability to design further algorithms through a top-down design with an emphasis on extreme parallelism. VTK-m also provides support for finding and building links across topologies, making it possible to perform operations that determine manifold surfaces, interpolate generated values, and find adjacencies. Although VTK-m provides a simplified high-level interface for programming, its template-based code removes the overhead of abstraction. VTK-m simplifies the development of parallel scientific visualization algorithms by providing a framework of supporting functionality that allows developers to focus on visualization operations. Additionally, VTK-m provides data abstractions not provided by other libraries that make code written in VTK-m more versatile.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2010

Reconstituted Three-Dimensional Interactive Imaging

A method combines two-dimensional images, enhancing the images as well as rendering a 3D, enhanced, interactive computer image or visual model. Any advanced compiler can be used in conjunction with any graphics library package for this method, which is intended to take digitized images and virtually stack them so that they can be interactively viewed as a set of slices. This innovation can take multiple image sources (film or digital) and create a "transparent" image with higher densities in the image being less transparent. The images are then stacked such that an apparent 3D object is created in virtual space for interactive review of the set of images. This innovation can be used with any application where 3D images are taken as slices of a larger object. These could include machines, materials for inspection, geological objects, or human scanning. Illuminous values were stacked into planes with different transparency levels of tissues. These transparency levels can use multiple energy levels, such as density of CT scans or radioactive density. A desktop computer with enough video memory to produce the image is capable of this work. The memory changes with the size and resolution of the desired images to be stacked and viewed.

Hamilton, Joseph↗
NASA NTRS1998

User Interface Technology Transfer to NASA's Virtual Wind Tunnel System

Funded by NASA grants for four years, the Brown Computer Graphics Group has developed novel 3D user interfaces for desktop and immersive scientific visualization applications. This past grant period supported the design and development of a software library, the 3D Widget Library, which supports the construction and run-time management of 3D widgets. The 3D Widget Library is a mechanism for transferring user interface technology from the Brown Graphics Group to the Virtual Wind Tunnel system at NASA Ames as well as the public domain.

vanDam, Andries↗
DOE OSTI2021

TX$^2$: Transformer eXplainability and eXploration

The Transformer eXplainability and eXploration (Martindale & Stewart, 2021), or TX 2 software package, is a library designed for artificial intelligence researchers to better understand the performance of transformer models (Vaswani et al., 2017) used for sequence classification. The tool is capable of integrating with a trained transformer model and a dataset split into training and testing populations to produce an ipywidget (Project Jupyter Contributors, 2021) dashboard with a number of visualizations to understand model performance with an emphasis on explainability and interpretability. The TX 2 package is primarily intended to integrate into a workflow centered around Jupyter Notebooks (Kluyver et al., 2016), and currently assumes the use of PyTorch (Paszke et al., 2019) and Hugging Face transformers library (Wolf et al., 2020). The dashboard includes visualization and data exploration features to aid researchers, including an interactive UMAP embedding graph (McInnes et al., 2018) to understand classification clusters, a word salience map that can be updated as researchers alter textual entries in near real time, a set of tools to understand word frequency and importance based on the clusters in the UMAP embedding graph, and a set of traditional confusion matrix analysis tools.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1994

A software architecture for automating operations processes

The Operations Engineering Lab (OEL) at JPL has developed a software architecture based on an integrated toolkit approach for simplifying and automating mission operations tasks. The toolkit approach is based on building adaptable, reusable graphical tools that are integrated through a combination of libraries, scripts, and system-level user interface shells. The graphical interface shells are designed to integrate and visually guide a user through the complex steps in an operations process. They provide a user with an integrated system-level picture of an overall process, defining the required inputs and possible output through interactive on-screen graphics. The OEL has developed the software for building these process-oriented graphical user interface (GUI) shells. The OEL Shell development system (OEL Shell) is an extension of JPL's Widget Creation Library (WCL). The OEL Shell system can be used to easily build user interfaces for running complex processes, applications with extensive command-line interfaces, and tool-integration tasks. The interface shells display a logical process flow using arrows and box graphics. They also allow a user to select which output products are desired and which input sources are needed, eliminating the need to know which program and its associated command-line parameters must be executed in each case. The shells have also proved valuable for use as operations training tools because of the OEL Shell hypertext help environment. The OEL toolkit approach is guided by several principles, including the use of ASCII text file interfaces with a multimission format, Perl scripts for mission-specific adaptation code, and programs that include a simple command-line interface for batch mode processing. Projects can adapt the interface shells by simple changes to the resources configuration file. This approach has allowed the development of sophisticated, automated software systems that are easy, cheap, and fast to build. This paper will discuss our toolkit approach and the OEL Shell interface builder in the context of a real operations process example. The paper will discuss the design and implementation of a Ulysses toolkit for generating the mission sequence of events. The Sequence of Events Generation (SEG) system provides an adaptable multimission toolkit for producing a time-ordered listing and timeline display of spacecraft commands, state changes, and required ground activities.

Miller, Kevin J.↗
DOE OSTI2020

Smart Microbial Cells Couple Catalysis and Sensing to Provide High-Throughput Selection of an Organophosphate Hydrolase

Enzyme engineering for gain of function requires navigating a large combinatorial sequence space efficiently. Typically, many mutations are needed to get significant improvements, while a single “bad” mutation can inactivate the enzyme. To establish high-throughput screening and achieve enhanced resolution between two variants, genetic libraries of the organophosphate hydrolase enzyme paraoxonase 1 (PON 1 ) were rapidly screened via an engineered positive-feedback circuit: a p-nitrophenol (PNP)-specific transcription factor (TF) regulated expression of PON 1 , which catalyzed paraoxon breakdown and PNP production. Rare active mutant colonies, picked by simple visual fluorescence of a PON 1 –green fluorescent protein (GFP) fusion, were characterized. Furthermore, in a single screening round, high (library-scale) throughput enabled the discovery of enhanced paraoxon degradation activity in PON 1 , including structurally unexpected mutations.

59 BASIC BIOLOGICAL SCIENCES↗