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NASA NTRSDate not supplied

Expanding Biological Repository Data Available for Sharing and Knowledge Discovery

Biology has developed next-generation data science and alternative analytical approaches with methodologies which require principal investigator (PI) experimental assay data be re-used. This new approach involves mining multiple datasets at once from various hierarchical organizations of biological complexity, while concurrently evaluating how experimental factors affect endpoints of standard assays. The purpose of the NASA Ames Life Sciences Data Archive (ALSDA) is to collect, curate, and make findable, accessible, interoperable, and reusable (FAIR) all non-human space-relevant biological data. These data include mission metadata, subject metadata, assay metadata (parameters), raw and processed assay data, assay imagery, and subject-experienced telemetry (radiation, temperature, humidity, acoustics, vibrations). ALSDA has transformed to bring current biological repository data and all future collected data into this new scientific data mining reality. It has integrated into the ‘NASA Open Science’ group of projects to facilitate a suite of new tools and workflows to improve data accessibility and reusability by implementing data management plans, automating data submission agreements, and adopting the single-point-of-entry data submission portal, originally developed by NASA GeneLab. These systems required ALSDA to develop science assay configurations for the submission portal, capturing essential assay parameters according to established norms in each sub-field within biology. The submission portal expedites data collection by enhancing ease of PI data submission, providing a user interface and specificity for which data is to be submitted. ALSDA datasets are curated to maintain rich metadata, accuracy of datasets, data transparency, provenance, and additionally ensure data are machine-readable (e.g., R and Python languages). ALSDA integration with GeneLab and its analysis portals enable higher-order physiological-level datasets be mined in conjunction with -omics datasets. As ALSDA physiological-level datasets are published (micro-computed tomography, histology, intraocular pressure, hormonal assays, immunostaining, ultrasonography), the merging of hierarchical organizations of biological complexity from spaceflight will enable new knowledge discovery approaches.

Ryan T Scott↗

NASA NTRS2020

Development of a Display Tool to Quality Control Weather Balloon Data for Space Launch Vehicles

Continuous atmospheric data analysis is an important factor for space launch vehicle design and operations. The balloon quality control tool was developed by NASA’s Marshall Space Flight Center (MSFC) Natural Environments Branch (NEB) for monitoring quality control processes and verifying the automated flags created on the balloon data sets analyzed. The data sets currently analyzed are comprised of high-resolution and low-resolution balloon data from NASA Kennedy Space Center (KSC), co-located on the United States Air Force’s Eastern range (ER) at the Cape Canaveral Air Force Station. The NEB was tasked to perform a quality assessment of these data sets and needed a tool to confirm the quality control (QC) flags produced from an automated process and add additional QC flags if necessary. This Graphical User Interface (GUI) was developed to visualize all of the data from these balloon sets, display any flags from the automated QC process, and add additional flags to variables if necessary. The GUI was developed in Python 3.6 utilizing different packages available such as pandas for data analysis and manipulation, NumPy for high-performance multidimensional array and tools to compute with and manipulate arrays, Matplotlib for plotting data and Tkinter to build the GUI.

Jessica K Headley↗

NASA NTRSDate not supplied

The Satellite Flythrough and Reconstruction Softwares at CCMC

The next-generation of model data visualization to be offered at the Community Coordinated Modeling Center (CCMC) will be based on Kamodo, an open source python package. To increase the usefulness of our services, we are also developing new capabilities based on this software, called the satellite flythrough and the reconstruction tools, to be offered both as packages for offline analysis and through an online interface (coming soon). The satellite flythrough software ‘flies’ a satellite trajectory, whether real or imaginary, through either model data hosted at CCMC or on a personal machine. This service greatly simplifies the complexity of users’ access to model data, abstracting away the time-consuming details of model data formats and interpolation. We demonstrate execution times of a few seconds to a few minutes for several example flythroughs of a trajectory stretching over a few days, depending on the parameters chosen. We also demonstrate a reconstruction tool built on top of the satellite flythrough software, for use with mission planning and model-data comparisons. This tool, based on reconstructions provided for the GDC Science and Technology Definition Team, converts multiple, simultaneous satellite flythroughs into two-dimensional reconstructions. The reconstruction tool provides a software capability for satellite constellations to determine how many satellites are needed and in what configuration to resolve the desired features in the model data. Both tools are currently available through GitHub for a selection of CCMC-hosted ITM models. Finally, we present initial results from work in progress and plans for future work, including an expansion of the reconstruction tool to provide 3D reconstruction capabilities and a line-of-sight calculation tool.

software, python↗

DOE OSTI2023

Cross-Facility Orchestration of Electrochemistry Experiments and Computations

Instrument-computing ecosystems supporting automated electrochemical workflows typically require the integration of disparate instruments such as syringe pump, fraction collector, and potentiostat, all connected to an electrochemical cell. These specialized instruments with custom software and interfaces are not typically designed for network integration and remote automation. We developed a networked ecosystem of these instruments and computing platforms, which includes software to enable automated workflow orchestration from remote computers. Specifically, we developed Python wrappers of APIs and custom Pyro client-server modules to support remote operation of these instruments over the ecosystem network. Herein, we describe a specific workflow for generating and validating voltammogram (I-V) measurements of an electrolyte solution pumped into the electrochemical cell. We demonstrate the orchestration of this workflow which is composed using a Jupyter notebook and executed on a remote computer.

Al Najjar, Anees↗

DOE OSTI2026

A Modular Accelerator Robotics Framework for AD Robotics

Accelerator tunnels, such as the ones at Fermilab, remain highly radioactive after beam shutoff due to induced radiation from the beam. This residual radiation creates a hazardous environment for manual inspection and repair of beamline components. To minimize worker radiation dose and reduce beam downtime, the AD Robotics Initiative previously built a fleet of low-cost custom mobile robots. However, the custom Python sockets server-client architecture lacked standardization, causing development delays and complicating the integration of new sensors and actuators. Here, we developed a modular system using ROS2 and Docker to standardize the teleoperation and control interfaces. This system was validated by implementing a teleoperation controller with real-time, low-latency, and high-definition video feedback. The aim of this framework is for a new feature or even a robot to be integrated into the system simply by documenting the hardware configuration. Current integration of LiDAR, Odometry, and Depth Cameras provides the foundation for Simultaneous Localization and Mapping (SLAM) tasks. Finally, future work involves integration into the accelerator control system and the attachment of a 6 degree-of-freedom robotic arm for telemanipulation.

Rayyan Khan, M. [Fermilab; Rensselaer Poly.; Unlis↗

DOE OSTI2026

Modular Accelerator Robotics Framework Implementation For Accelerator Inspection

Rayyan Khana, M. [Unlisted, US, IL] (ORCID:0009000↗

DOE OSTI2023

Demand Flexibility Controls Library using Semantics (DFLEXLIBS) v0.1

DFLEXLIBS is a library/repository of HVAC-based demand flexibility control applications developed using Python. The library is based on portable control applications that exclusively contain control logic and are abstract to building details, such as point names and communication protocols. The library leverages semantic models and control platform-oriented interfaces to configure and run the controls in specific buildings. To date, the library contains two applications and two interfaces (for BOPTEST and VOLTTRON) and has been demonstrated in five heterogeneous buildings.

Paul, Lazlo↗

DOE OSTI2024

popclass

popclass is a lightweight python package that allows fast, probabilistic classification of the lens of a microlensing event given the event's posterior distribution and a model of the Galaxy. popclass provides the bridge between Galactic simulation and lens classification, an interface to common Bayesian inference libraries, and the ability for users to flexibly specify their own Galactic model and classification parameters.

Mcgill, Peter↗

DOE OSTI2022

The LLNL nuclear data infrastructure for the GNDS data format

The next generation of nuclear data infrastructure tools at the Livermore National Laboratory (LLNL) consists of pipeline of codes that read and process nuclear data from evaluated files saved in the new GNDS (Generalised Nuclear Data Structure) nuclear data format. The processing code FUDGE (For Updating Data and Generating Evaluations) is at the front-end of this pipeline as it reads and process the evaluated data for use in downstream transport codes. FUDGE is Python based with C and C++ extensions for computationally intensive tasks. As is the case for the evaluated data, the processed output is also saved in the GNDS format and the GIDI+ API is provided as the interface between the processed data and the transport codes. GIDI+ is a C++ based suite of codes and it includes GIDI (General Interaction Data Interface), a library for reading and writing GNDS data, and MCGIDI which is the cross section lookup, and reaction and product distribution sampling interface between Monte Carlo transport codes and the GNDS data. GIDI provides methods for easy access to the multi-group processed GNDS data and this is demonstrated through its implementation in ARDRA, the LLNL deterministic transport code. The evaluation and sampling methods in MCGIDI are available as both CPU and GPU methods which facilitates the use of MCGIDI in both traditional CPU-based as well as the next generation mixed model computational architectures. This is demonstrated through the GIDI+ implementation in MERCURY, the LLNL Monte Carlo transport code. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2025

Critical Simulation Pipeline for COG Suites [Poster]

The CRItical Simulation Pipeline (CRISP) is a Python package for automating validation of reactor criticality benchmarks. CRISP supplies COG—a multi-particle radiation transport code maintained by the Nuclear Criticality Safety Division—with a pipeline to calculate k eff performance for 400+ benchmark experiments with 3,400+ configurations from the International Criticality Safety Benchmark Evaluation Project (ICSBEP). The pipeline includes four stages: materials configuration, input card templating, cluster submission, and results analysis. CRISP includes a command-line interface to facilitate user interaction.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

NASA NTRS2013

ISSM: Ice Sheet System Model

In order to have the capability to use satellite data from its own missions to inform future sea-level rise projections, JPL needed a full-fledged ice-sheet/iceshelf flow model, capable of modeling the mass balance of Antarctica and Greenland into the near future. ISSM was developed with such a goal in mind, as a massively parallelized, multi-purpose finite-element framework dedicated to ice-sheet modeling. ISSM features unstructured meshes (Tria in 2D, and Penta in 3D) along with corresponding finite elements for both types of meshes. Each finite element can carry out diagnostic, prognostic, transient, thermal 3D, surface, and bed slope simulations. Anisotropic meshing enables adaptation of meshes to a certain metric, and the 2D Shelfy-Stream, 3D Blatter/Pattyn, and 3D Full-Stokes formulations capture the bulk of the ice-flow physics. These elements can be coupled together, based on the Arlequin method, so that on a large scale model such as Antarctica, each type of finite element is used in the most efficient manner. For each finite element referenced above, ISSM implements an adjoint. This adjoint can be used to carry out model inversions of unknown model parameters, typically ice rheology and basal drag at the ice/bedrock interface, using a metric such as the observed InSAR surface velocity. This data assimilation capability is crucial to allow spinning up of ice flow models using available satellite data. ISSM relies on the PETSc library for its vectors, matrices, and solvers. This allows ISSM to run efficiently on any parallel platform, whether shared or distrib- ISSM: Ice Sheet System Model NASA's Jet Propulsion Laboratory, Pasadena, California uted. It can run on the largest clusters, and is fully scalable. This allows ISSM to tackle models the size of continents. ISSM is embedded into MATLAB and Python, both open scientific platforms. This improves its outreach within the science community. It is entirely written in C/C++, which gives it flexibility in its design, and the power/speed that C/C++ allows. ISSM is svn (subversion) hosted, on a JPL repository, to facilitate its development and maintenance. ISSM can also model propagation of rifts using contact mechanics and mesh splitting, and can interface to the Dakota software. To carry out sensitivity analysis, mesh partitioning algorithms are available, based on the Scotch, Chaco, and Metis partitioners that ensure equal area mesh partitions can be done, which are then usable for sampling and local reliability methods.

Larour, Eric↗

DOE OSTI2022

H3D Data Acquisition Software (H3DDAQ) v1.0

A python library to enable readout of data from commercial H3D gamma-ray detectors. This software perform readout of data and system status, as well as starting and stopping measurements, with either WebREST (HTTP), XML (N42.42), or Binary (FlatBuffers) interfaces.

Joshi, Tenzing↗

NASA NTRS2018

PYSAT: Python Satellite Data Analysis Toolkit

A common problem in space science data analysis is combining complementary data sources that are provided and analyzed in different formats and programming languages. The Python Satellite Data Analysis Toolkit (pysat) addresses this issue by providing an open source toolkit that implements the general process of space science data analysis, from beginning to end, in an instrumentindependent manner. This toolkit uses an Instrument object that enables systematic analysis of science data from a variety of platforms within a single interface. Basic functions such as downloading, loading, and cleaning are included for all supported instruments. Common analysis routines are also included, which are instrument and data source independent. A nanokernel is used to provide instrument independence, it is attached to the Instrument object and mediates the systematic and arbitrary modification of loaded data. Pysat uses the nanokernel to improve the rigor of time series analysis, support onthefly orbit determination, and cleanly span file breaks. Pysat's functions and higherlevel scientific analysis features are validated through the use of unit testing. Further adoption by the community provides a set of scientific results produced by a common core, constituting a distributed heritage that supports the validity of the underlying processing and scientific output. These features are used to demonstrate consistency between derived electron density profiles and measured ion drifts, particularly downward ion drifts in the afternoon hours during extreme solar minimum. Pysat builds upon open source Python software that is freely available and encourages communitydriven development.

Stoneback, R.A.↗

DOE OSTI2026

PRISMA: PARALLEL REFINEMENT AND INTEGRATION SYSTEM FOR MULTI-AZIMUTHAL ANALYSIS

The Parallel Refinement and Integration System for Multi-azimuthal Analysis (PRISMA, version 1.1.0) is a Python application for processing X-ray diffraction (XRD) image data. PRISMA wraps GSAS-II to perform azimuthally-binned peak refinement, computes per-frame strain and d-spacing from those fits, and provides three PyQt5 graphical interfaces: (1) a Recipe Builder for selecting GSAS-II control (.imctrl) files, optional mask (.immask) files or threshold-ased masking, reference and experiment image sets, peaks, zimuthal range and bin size, and an optional ceria-based auto-calibration; (2) a Batch Processor that uses Dask on local workstations and pure MPI (mpi4py.futures.MPICommExecutor) on HPC to distribute GSAS-II refinement across cores or compute nodes and write results to a 4-dimensional (peaks x frames x azimuths x measurements) Zarr dataset; and (3) a Data Analyzer that renders heatmaps of fit parameters, strain, frame-to-frame deltas, and percent-change-vs-reference, and exports user-defined subsections to CSV or Excel. The peak-refinement algorithm is deterministic. Benchmark on ALCF Crux: a 20,000-image set, single-peak fit in frame mode with 44 azimuthal bins on 128 nodes x 128 workers, 48 seconds total wall time.

Lorenzo Martin, Maria De La Cinta [Argonne Nationa↗

DOE OSTI2025

Benchmark Tracking System for Performance Monitoring

Benchmarking is essential for high-performance software development, particularly for monitoring performance across code iterations. This project focused on enhancing the benchmarking process for Lamellar, an asynchronous runtime for High-Performance Computing (HPC) systems developed at Pacific Northwest National Laboratory. Prior to this work, benchmark results were difficult to track and compare across code versions, presenting significant challenges in identifying performance regressions and long-term trends. The primary objective was to establish a systematic, reproducible approach for measuring performance and detecting regressions following code commits. Our methodology involved three key components: standardizing benchmark outputs, implementing data versioning, and developing analysis tools. We standardized the benchmark output format to JSON Line records containing specific fields (execution time, hardware specifications, and environmental variables). To address data management challenges, we evaluated several options and eventually chose a git repository dedicated to benchmark data. We developed a suite of Python tools that processed benchmark results, enriched them with metadata, and facilitated search in the repository. The resulting system enables more efficient filtering and comparison of performance metrics across commit histories, hardware configurations, and benchmark variants through a unified query interface. Our implementation reduces computational overhead by first checking for existing results through configuration matching before initiating new benchmark runs, thereby conserving resources. The system has been validated by Lamellar developers. It organizes results by benchmark type and build configurations for efficient retrieval. Future developments include a planned Large Language Model interface for predicting benchmark performance, incorporating the criterion package for statistical analysis, which will enable automated detection of statistically significant performance changes, and integration with continuous integration pipelines. Despite these enhancements being reserved for future work, this project has successfully provided the Lamellar development team with a framework for maintaining consistent performance standards and identifying optimization opportunities across workloads and hardware environments.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2026

Powered By CADET

The Capacity Expansion Decision Support for Distribution Networks (CADET) is a Python-based library and framework for creating electrical distribution system capacity planning tools for cost-effective, reliable power delivery. It enables the creation of modular, scalable, and extensible distribution capacity planning tools by providing a high-level optimization interface, parameter and options data managers, optimization constraint and objective libraries, generalized nomenclature, a system for tracking and modifying distribution network changes, optimization solution validation, and other capabilities. This webinar will describe 1) the motivation for creating CADET, 2) key designs, and 3) several use cases.

24 POWER TRANSMISSION AND DISTRIBUTION↗

NASA NTRSDate not supplied

SAGE III/ISS Rapid Data Analysis Through Dashboarding with Jupyter Notebooks

Spaceborne remote sensing observations of Earth’s atmosphere produce significant quantities of data over the life of each mission. In the case of the Stratospheric Aerosol and Gas Experiment III on the International Space Station (SAGE III/ISS) nearly four years of vertical profiles of atmospheric ozone, water vapor, and nitrogen dioxide concentrations as well as aerosol extinction coefficients have been released. The dichotomy of the desire for both long-term trends in the atmospheric state alongside the assessment of short-term impacts of major disruptive events such as volcanic eruptions and pyrocumulus injections requires agile tools to handle these cases in near real-time as new data are produced. The analysis landscape is further complicated by the desire to compare results between the numerous contemporary observations available for a given dataset. The SAGE III/ISS team has developed a suite of tools leveraging modern web-based frameworks allowing members to interact with a dashboard-style interface to load the data record, assess new profiles as they are generated and in ensemble, compare between species, and additionally add in measurements observed by other platforms as necessary. Leveraging a commonly packaged data format of NetCDF alongside the Python Jupyter Notebook framework, the data can be served to interested parties from an analysis server while still runnable on personal systems if required. This presentation illustrates the ecosystem developed by the SAGE III/ISS team, the applicability to measurements made by any limb-observing platform, and the benefit to transforming routine analyses into readily accessible dynamic plots. Frameworks currently exist at larger scales with projects such as GIOVANNI, and this illustration seeks to show that similar frameworks are accessible and possible within the local research environment while simultaneously unloading human processing cycles for more specialized analysis tasks.

Dashboarding↗

NASA NTRS2022

A Modular Framework for Integrating and Visualizing Telemetry for Mars 2020 Rover Mechanism Operations

The analysis of mechanism telemetry requires a wide variety of tools to quickly and effectively assess spacecraft state, capture long-term trends in system performance, and identify and track anomalous events. Such analysis often requires spacecraft telemetry to first be transformed into derived fields and aggregated statistics before operators can begin their analysis. In past missions, aspects of this process have been automated, but operators were expected to use their own tools and procedures to understand and visualize the data, which led to redundant and inconsistent tools and processes. The Mech Data Tools Python library (MDT) was developed to provide a flexible, unified tool set for operators to extract and analyze mechanism telemetry over the life of the Mars 2020 surface mission. MDT consists of a set of configurable components that implement standard interfaces for ingesting input and producing output. Components can be chained together to form a data processing pipeline. Data are ingested from several sources within the greater Mars 2020 cloud infrastructure and stored in pandas DataFrames, which allows users to leverage the data manipulation capabilities present within the widely-used pandas library. Visualization capabilities are provided through the Plotly library, which generates interactive plots for users to interpret. Following the beginning of Mars 2020 surface operations, usage of MDT has spread to all mechanism-focused subsystems and has demonstrated great utility in analyzing early surface activities. This paper describes MDT’s evolution from heritage mechanism telemetry tools, the critical architecture decisions and challenges faced over MDT’s two years of development, and current applications of MDT in support of mechanism operations.

Wolsieffer, Ben↗