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Architectures Toward Reusable Science Data Systems

Science Data Systems (SDS) comprise an important class of data processing systems that support product generation from remote sensors and in-situ observations. These systems enable research into new science data products, replication of experiments and verification of results. NASA has been building systems for satellite data processing since the first Earth observing satellites launched and is continuing development of systems to support NASA science research and NOAAs Earth observing satellite operations. The basic data processing workflows and scenarios continue to be valid for remote sensor observations research as well as for the complex multi-instrument operational satellite data systems being built today. System functions such as ingest, product generation and distribution need to be configured and performed in a consistent and repeatable way with an emphasis on scalability. This paper will examine the key architectural elements of several NASA satellite data processing systems currently in operation and under development that make them suitable for scaling and reuse. Examples of architectural elements that have become attractive include virtual machine environments, standard data product formats, metadata content and file naming, workflow and job management frameworks, data acquisition, search, and distribution protocols. By highlighting key elements and implementation experience we expect to find architectures that will outlast their original application and be readily adaptable for new applications. Concepts and principles are explored that lead to sound guidance for SDS developers and strategists.

Data Processing↗

Entwine Point Tiles for 3D Visualization and Querying of ICESat-2

Point Cloud data from non-optical sensors present challenges in scientific computing in both volume of data and files, even for cloud services environments. As part of the Multi-Mission Algorithm and Analysis Platform (MAAP), a joint open science platform for global biomass modelling, we’ve developed a cloud optimized workflow for using ATL08 (ICESat-2) data as a point cloud. For MAAP, the ATL08 data product is published as Entwine Point Tiles (EPT), allowing users to visualize and query the full extent of this collection interactively without pre-downloading, or preprocessing. The EPT format is a cloud-optimized point cloud data format which re-organizes points into a cloud friendly spatially indexed data structure. MAAP uses AWS S3 to store these point clouds and serves them over OGC specified APIs, 3DTiles for visualization, and WFS for querying. This workflow allows for interactive 3D visualizations in a web browser, including notebook environments and facilitates on the fly subsetting for interactive data exploration, all of which can be applied to other similar sensors.

Alex Mandel↗

Developing a Vision for Maturing the Heliophysics Infrastructure towards Open Science: The DIARieS Analysis Ecosystem

In the dawn of open science and the upcoming requirements, we speak about the existing state of Heliophysics infrastructure and detail the evolution required to address capability or interconnection shortcomings. Such a daunting barrier calls for an analysis ecosystem with multi-faceted capability. We propose such an ecosystem, called DIARieS, to be built upon five conceptual pillars: Discovery, Implementation, Analysis, Reproducibility, and Sharing of results. The combination of these concepts in a single platform will enable users to more intuitively combine recent advances in technology to create ‘DIARieS’ of their workflows, which can be easily made open to others in the community. The DIARieS ecosystem will also increase our efficiency by streamlining our various workflow processes, including automatic incorporation of the impending requirements of open science. The various components of the ecosystem will simplify software installation and data implementation, including automatically generated citation lists based on the components included. Automatic containerization and version control of the ecosystem will make the custom workflows easily reproducible. Employing widget technology will ease the difficulty of producing publication and commercial quality visualizations and applying common analyses techniques. Incorporating multiple technologies will streamline the various sharing methods common in our work environments today. Overall, the totality of capabilities to be offered by this analysis ecosystem will drastically simplify the application of open science principles to our work in addition to improving our efficiency and ease of collaboration. This talk summarizes a vision of the proposed ecosystem, which is described in more detail in Ringuette et al. (2022: https://doi.org/10.1016/j.asr.2022.05.012).

infrastructure↗

Developing a Vision for Maturing the Heliophysics Infrastructure towards Open Science

In the dawn of open science and the upcoming requirements, we speak about the existing state of Heliophysics infrastructure and detail the evolution required to address capability or interconnection shortcomings. Such a daunting barrier calls for an analysis ecosystem with multi-faceted capability. We propose such an ecosystem, called DIARieS, to be built upon five conceptual pillars: Discovery, Implementation, Analysis, Reproducibility, and Sharing of results. The combination of these concepts in a single platform will enable users to more intuitively combine recent advances in technology to create ‘DIARieS’ of their workflows, which can be easily made open to others in the community. The DIARieS ecosystem will also increase our efficiency by streamlining our various workflow processes, including automatic incorporation of the impending requirements of open science. The various components of the ecosystem will simplify software installation and data implementation, including automatically generated citation lists based on the components included. Automatic containerization and version control of the ecosystem will make the custom workflows easily reproducible. Employing widget technology will ease the difficulty of producing publication and commercial quality visualizations and applying common analyses techniques. Incorporating multiple technologies will streamline the various sharing methods common in our work environments today. Overall, the totality of capabilities to be offered by this analysis ecosystem will drastically simplify the application of open science principles to our work in addition to improving our efficiency and ease of collaboration.

Infrastructure↗

Architectures Toward Reusable Science Data Systems

Science Data Systems (SDS) comprise an important class of data processing systems that support product generation from remote sensors and in-situ observations. These systems enable research into new science data products, replication of experiments and verification of results. NASA has been building systems for satellite data processing since the first Earth observing satellites launched and is continuing development of systems to support NASA science research and NOAA's Earth observing satellite operations. The basic data processing workflows and scenarios continue to be valid for remote sensor observations research as well as for the complex multi-instrument operational satellite data systems being built today.

Data Processing↗

Development of Computational Environmental Microbiome Workflows for the Laboratory and the International Space Station

Identification of microorganisms in the spaceflight environment is critical for crew health risk assessment on the International Space Station (ISS). Since 2017, nanopore sequencing technology has been used to support thein situ identification of microbial species during spaceflight. Beginning in 2018, a culture-independent, swab-to-sequencer method was implemented onboard the ISS to provide a more thorough insight of the ISS microbiome. Eliminating microbial culture enables identification of difficult-to-culture organisms, reduces risks associated with potentially pathogenic cultures, and could significantly reduce the time from sample-to-answer. However, this molecular-based approach generates large metagenomic datasets that require substantial computational resources for analysis. To process nanopore-generated sequencing data, the JSC Microbiology Laboratory established a bioinformatics workflow on Amazon EC2 under the security guidance of the NASA Science Managed Cloud Environment (SMCE).This resource allows for the development, testing, and accessing of computational tools for processing large and complex datasets. The work described here will address the downlinking of data from the ISS, the automated pipeline developed to identify targeted bacterial and fungal organisms, and the time from sampling onboard to microbial identification. The pipelines have been enhanced to address high and low biomass samples using optimization based on sample source (air, water, or surface) and type of collection (filter, colony, or swab).The resulting microbiome data can be assessed beyond microbial identifications to gain understanding toward population changes over time, potential selective environmental pressures, and evaluating correlations with a wide range of additional data sets. Metagenome analysis pipelines in development could allow for simultaneous identification of microbial species, gene function, and gene pathways present in the environment. Beyond the ground processing, the developed analysis pipeline is currently deployed onboard the ISS to allow for near real-time assessments of the ISS microbiome. This study serves as a critical foundation for exploration missions, where rapid microbiome analyses will be required.

G. Marie Sharp↗

Shifting institutional culture to develop climate solutions with Open Science

This call to action by Drs. Johnson and Wilkinson is part of a mosaic of voices sharing tangible progress within the climate movement 1,2. This call speaks to us as environmental and Earth scientists motivated by the urgency of climate change and social inequity and who contribute to finding science-driven climate solutions as part of our daily jobs. Unfortunately, we are often unable to efficiently move this critical and urgent work forward because we are impeded by cumbersome daily workflows and restrictive workplace cultures. Our workplaces have not kept pace with the modern realities of data-intensive science: increasing data volumes and storage needs, rapidly evolving technology, new skill requirements, and a growing need for extensive and diverse collaboration. Struggling with old approaches and learning new ones in isolation can fuel burnout and turnover, preventing us from working on science-driven climate solutions effectively.

open science↗

Surface Biology & Geology Pathfinder Data Analysis Pipeline

NASA's future global orbital mission, currently in development as the Surface Biology and Geology (SBG) Designated Observable study, will acquire relatively high resolution solar-reflected spectroscopy and thermal infrared observations. Innovative processes must be utilized for handling the high volume of data anticipated to be collected, which is anticipated to exceed 100 terabytes/day, greater than NASA's total extant airborne hyperspectral data collection. Collecting, processing/re-processing, disseminating, and exploiting this volume of data presents new challenges. To begin addressing them, NASA is drawing upon the expertise developed from its astrophysics programs to address Earth science and applications. Specifically, NASA is adapting the science processing operations technology developed for the Kepler and TESS planet-hunting missions for imaging spectroscopy data processing. This technology development has been the foundation for the remarkable scientific successes of Kepler and TESS. The Kepler/TESS data processing technology provides a scalable architecture for robust, repeatable, and replicable science and application products while enabling the Earth science community to develop, test, and implement new algorithms. Our effort to leverage this existing capability has begun by ingesting data and applying workflows from the EO-1/Hyperion 17-year mission archive that provides globally sampled visible through shortwave infrared spectra that are representative of SBG data types and volumes. This pathfinding data processing system will help define the solutions to processing SBG data volumes and will enable the scientific community to interact with the data and processing pipeline to create new science products.

Jenkins, Jon↗

Viper Science Operations: Lunar Dynamic Science Table and ‘Tracker’ Tool.

Introduction: The NASA VIPER lunar rover mission [1] presents a unique operational paradigm within the history of robotic spaceflight. The proximity of the Moon to the Earth and the terrain elements (surface characteristics, light/shadow dynamics, communication links) of the Lunar South Polar landing site create unprecedented operational conditions between these two planetary bodies. Apollo era lunar science and exploration included humans in situ to operate instruments and assimilate observational inputs in real-time. Previous lunar orbital missions have worked to operational timescales, e.g., decisional timelines and communication exchanges, that were weeks in duration. Mars rover missions have worked to operational timescales, e.g., decisional timelines and communication exchanges between Mars and Earth, that were hours, days, and weeks in length. In the case of the VIPER mission, our operational decisioning for rover driving and instrument commanding will be compressed to minute-scale timeframes. These operational conditions will directly impact the workflow and speed with which the VIPER Science Team (VST) will be required to synthesize and analyze data and produce timely science-driven decisions throughout surface mission operations [2]. The VST in the VIPER Mission Science Center (MSC) and the Mission Operations Center (MOC) shall provide mission-enhancing scientific input to guide traverse planning and drill site confirmation/selection throughout surface operations. Further, the VST input will be of vital importance to the mission’s ability to maximize science return and to meet broader NASA objectives for future lunar ISRU and exploration activities. Specifically, the VST in the MSC and MOC will provide science-driven, consensus-based, timely input and decision-making to enhance mission operations and align mission science return with broader Agency goals. They will enable the characterization of the distribution (lateral and vertical extent, concentration, variability), form (chemical/physical state of these reservoirs of lunar water and key isotopes), and context (e.g., accessibility/overburden, environment, soil mechanics, trafficability, and temperatures) of lunar polar volatiles and water content for the VIPER mission. Additionally, the MSC will be selecting or reconfirming the location and path towards and from the third drill site (Drill Site Charlie) within each Science Station [6]. To enable scientific decision-making within the operational paradigm of the VIPER lunar rover mission requires detailed articulation of the VST’s scientific objectives and goals, and the operationalization of these objectives and goals through their association with specific data products, tasks, and decisional procedures. Further, defining and tracking scientific success metrics throughout surface operations will enable the VST to have a quantified understanding of the mission’s evolving ability to accomplish the stated scientific objectives and goals both during and after the mission. This abstract provides an overview of the methods and development activities towards defining, operationalizing, and tracking scientific objectives and goals throughout VIPER surface operations. Specifically, we focus on the VIPER Lunar Dynamic Science Table (LDST) and the VIPER “Tracker” tool.

Darlene Sze Shien Lim↗

LDCM Grid Prototype (LGP)

The LGP successfully demonstrated that grid technology could be used to create a collaboration among research scientists, their science development machines, and distributed data to create a science production system in a nationally distributed environment. Grid technology provides a low cost and effective method of enabling production of science products by the science community. To demonstrate this, the LGP partnered with NASA GSFC scientists and used their existing science algorithms to generate virtual Landsat-like data products using distributed data resources. LGP created 48 output composite scenes with 4 input scenes each for a total of 192 scienes processed in parallel. The demonstration took 12 hours, which beat the requirement by almost 50 percent, well within the LDCM requirement to process 250 scenes per day. The LGP project also showed the successful use of workflow tools to automate the processing. Investing in this technology has led to funding for a ROSES ACCESS proposal. The proposal intends to enable an expert science user to produce products from a number of similar distributed instrument data sets using the Land Cover Change Community-based Processing and Analysis System (LC-ComPS) Toolbox. The LC-ComPS Toolbox is a collection of science algorithms that enable the generation of data with ground resolution on the order of Landsat-class instruments.

Weinstein, Beth↗

Data Integrity Challenges in NASA Giovanni

The Geospatial Interactive Online Visualization ANd aNalysis Infrastructure (Giovanni) is an online tool developed by the NASA Goddard Earth Sciences (GES) Data and Information Services Center (DISC), one of 12 NASA Science Mission Directorate Data Centers (DAACs) to analyze and visualize NASA remote sensing and model data without downloading data and software. As of this writing, over 2000 Earth satellite and model variables are available in Giovanni, including several well-known NASA satellite missions (e.g., TRMM, GPM) and projects (e.g., MERRA-2, GPCP). There are twenty-two plots provided by Giovanni that can be used to analyze, compare, and explore Earth data across disciplines. Results can be shared with colleagues and downloaded for further analysis. Giovanni has helped publish over 3000 referral papers over the years. As open science policies roll in, data integrity has become a major challenge for Giovanni and other tools. For integrity, both data and workflows must be transparent. FAIR-compliant data, including input, intermediate, and result products, as well as their associated statistics, metadata, and information, are needed. The NASA Data Product Development Guide for Data Producers provides a key resource on how to develop FAIR-compliant data products. Data quality information is also needed from data producers and analysis services like Giovanni. The workflow part is quite challenging and requires workflow management improvements, such as recording workflows and making them available to users. In this presentation, we will discuss the data integrity challenges in Giovanni.

data analysis, visualization↗

High Performance Access to Archival Data Stored in HDF4 and HDF5 on Cloud Object Stores Without Reformatting the Files

Cloud computing offers numerous advantages for users of extensive Earth science data collections. These benefits encompass direct online access to data files and granules from any location, scalable access supporting parallel computing workflows, and flexible computing tools enabling innovative experimentation with processing techniques. However, older archival file formats designed for distinct computing systems hinder efficient access to decade-long time-series data when compared to data stored in modern cloud-optimized formats like Web Object Stores (WOS), exemplified by Amazon Web Services’ Simple Storage Service (S3). We describe DMR++ (Dataset Metadata Response plus plus), a technology facilitating efficient access to HDF5 (Hierarchical Data Format, version 5) and HDF4 files stored on WOS systems without requiring data reformatting. DMR++ achieves performance comparable to technologies like Zarr while preserving the original file structure, a substantial benefit considering the vast quantity of archival files held by organizations such as NASA. Moreover, DMR++ typically outperforms cloud-optimized versions of HDF5. Essentially an XML (Extensible Markup Language) document usually stored alongside the described data, DMR++ can also be generated on-the-fly but is generally created during data staging to the WOS. Archival files that use HDF4/5 often store large arrays of numerical data. The data in these files is often compressed, typically reducing their size by a factor of four or more. To achieve efficient access to portions of those arrays, they are 'chunked' into smaller sub-arrays, each individually compressed. The chunk size is a compromise, where spinning disks can efficiently access data in smaller chunks while S3 favors larger chunks. A simple optimization of aggregating smaller chunks that are stored adjacently, transferring them in a single access and then individually decompressing them will improve performance. NASA data pose an additional challenge: special Application Programmer Interface (API) libraries are often needed to compute some variables. These libraries are incompatible with WOS environments. Our solution involves storing computed values in the DMR++ document or a companion file, making them accessible like other variables and eliminating the need for specialized APIs. We outline specific optimizations for both satellite grid and swath data stored in HDF4-EOS2 (Earth Observing System).

James Gallagher↗

Grid Enabled Geospatial Catalogue Web Service

Geospatial Catalogue Web Service is a vital service for sharing and interoperating volumes of distributed heterogeneous geospatial resources, such as data, services, applications, and their replicas over the web. Based on the Grid technology and the Open Geospatial Consortium (0GC) s Catalogue Service - Web Information Model, this paper proposes a new information model for Geospatial Catalogue Web Service, named as GCWS which can securely provides Grid-based publishing, managing and querying geospatial data and services, and the transparent access to the replica data and related services under the Grid environment. This information model integrates the information model of the Grid Replica Location Service (RLS)/Monitoring & Discovery Service (MDS) with the information model of OGC Catalogue Service (CSW), and refers to the geospatial data metadata standards from IS0 19115, FGDC and NASA EOS Core System and service metadata standards from IS0 191 19 to extend itself for expressing geospatial resources. Using GCWS, any valid geospatial user, who belongs to an authorized Virtual Organization (VO), can securely publish and manage geospatial resources, especially query on-demand data in the virtual community and get back it through the data-related services which provide functions such as subsetting, reformatting, reprojection etc. This work facilitates the geospatial resources sharing and interoperating under the Grid environment, and implements geospatial resources Grid enabled and Grid technologies geospatial enabled. It 2!so makes researcher to focus on science, 2nd not cn issues with computing ability, data locztic~, processir,g and management. GCWS also is a key component for workflow-based virtual geospatial data producing.

Chen, Ai-Jun↗

Framework for Integrating Science Data Processing Algorithms Into Process Control Systems

A software framework called PCS Task Wrapper is responsible for standardizing the setup, process initiation, execution, and file management tasks surrounding the execution of science data algorithms, which are referred to by NASA as Product Generation Executives (PGEs). PGEs codify a scientific algorithm, some step in the overall scientific process involved in a mission science workflow. The PCS Task Wrapper provides a stable operating environment to the underlying PGE during its execution lifecycle. If the PGE requires a file, or metadata regarding the file, the PCS Task Wrapper is responsible for delivering that information to the PGE in a manner that meets its requirements. If the PGE requires knowledge of upstream or downstream PGEs in a sequence of executions, that information is also made available. Finally, if information regarding disk space, or node information such as CPU availability, etc., is required, the PCS Task Wrapper provides this information to the underlying PGE. After this information is collected, the PGE is executed, and its output Product file and Metadata generation is managed via the PCS Task Wrapper framework. The innovation is responsible for marshalling output Products and Metadata back to a PCS File Management component for use in downstream data processing and pedigree. In support of this, the PCS Task Wrapper leverages the PCS Crawler Framework to ingest (during pipeline processing) the output Product files and Metadata produced by the PGE. The architectural components of the PCS Task Wrapper framework include PGE Task Instance, PGE Config File Builder, Config File Property Adder, Science PGE Config File Writer, and PCS Met file Writer. This innovative framework is really the unifying bridge between the execution of a step in the overall processing pipeline, and the available PCS component services as well as the information that they collectively manage.

Mattmann, Chris A.↗

End-to-End Solution for Data Customization with NASA's Earthdata Search

The goal of NASA's Earthdata Search End-to-End Services workflow is to take the pain and headache out of searching for data and getting that data back in a format that is usable with only that data that is relevant for you. For too long scientists have had to jump through endless hoops, use tools that only offer specific data or specific services, and perform any number of other non-science tasks just to get started on their actual project. Earthdata Search leverages the Common Metadata Repository's (CMR) newly implemented Unified Metadata Models for Services and Variables as well as a new service broker to expose and seamlessly integrate a collection's service capabilities and variables into an intuitive user interface. Using the new End-to-End Services workflow, scientists will be able to quickly see what data is available to be customized, what customization options are available, and actually perform those customizations on the data all within Earthdata Search, regardless of who the data provider is. This talk will demonstrate the simple workflow that will be available to end users and also give an overview covering how the workflow is enabled by the metadata stored within the CMR. (https://search.earthdata.nasa.gov/)

Reese, Mark↗

TPSAS-NF1676L-33992-DND

The CERES Science Team integrates and fuses observations from 6 CERES instruments aboard the Terra, Aqua, S-NPP, and NOAA-20 missions with data from more than 20 other unique data sources. Following the November 2017 launch of CERES Flight Model 6 (FM6) onboard NOAA20, CERES has now amassed over 80 instrument-years of valuable Earth radiation budget data. The rapidly growing volume of CERES data coupled with the introduction of new data products alongside improvements to existing science algorithms fosters the requirement for faster, more flexible, and scalable data production and orchestration. New virtualized, cloud-centric compute hardware hosted by the NASA Langley Research Center’s (LaRC) Atmospheric Sciences Data Center (ASDC) provides an ideal environment for these ever-increasing data production demands for CERES. This poster discusses updates to the implementation of the CERES Data Management Team’s (DMT) CERES AuTomAted job Loading sYSTem (CATALYST), a custom data processing workflow engine for CERES, to use on-demand computing resources to perform automated CERES data production processing in a Linux-based container environment. Linux containers provide CERES the flexibility to build multiple production environments in containers tailored for specific workloads and allow effortless provisioning of resources based on the CERES Science Team’s data production requirements.

Thomas N. Hillyer↗

The Science Discovery Engine: Connecting Heterogeneous Scientific Data and Information

Transformative science often occurs at the boundaries of different disciplines. Making interdisciplinary science data, software and documentation discoverable and accessible is essential to enabling transformative science. However, connecting this diverse and heterogeneous information is often a challenge due to several factors including the dispersed and sometimes isolated nature of data and the semantic differences between topical areas. NASA’s Science Discovery Engine (SDE) has developed several approaches to tackling these challenges. The SDE is a unified, insightful search experience that enables discovery of NASA’s open science data across five topical areas: astrophysics, biological and physical sciences, Earth science, heliophysics and planetary science. In this presentation, we will discuss our efforts to develop a systematic scientific curation workflow to integrate diverse content into a single search environment. We will also share lessons learned from our work to create a metadata crosswalk across the five disciplines.

Kaylin Bugbee↗

NASA POWER: Providing Analysis-Ready, Cloud-Optimized Data for AI /ML Training and Applications in Earth Science

As global demand for sustainable development grows, the integration of Earth Observation (EO) data into decision making frameworks has become a primary objective for the scientific community. The NASA Prediction of Worldwide Energy Resources (POWER) project serves as a bridge between NASA EO data and the specialized needs of the renewable energy, sustainable infrastructure and agroclimatology communities. In this poster presentation we will present an overview of POWER data products and services along with its use in diverse research to decision-making workflows. By providing over 40 years of high-resolution historical, hourly and daily solar and meteorological data, POWER transforms satellite observations and global model reanalysis into actionable, Analysis-Ready Dataset (ARD). Currently, the project delivers over 250 industry-friendly parameters to the users from different NASA datasets like CERES SYN1Deg, MERRA-2, and IMERG alongside downscaled CMIP6 climate model data, fulfilling over 16 million requests from 50,000 unique users monthly. To ensure data quality and traceability, these parameters are rigorously validated against the ground-based observations from the Baseline Surface Radiation Network (BSRN) and the Global Surface Summary of the Day (GSOD) – these results will be discussed in the presentation. A newly introduced web-based PaRameter Uncertainty ViEwer (PRUVE) tool will be presented that provides an online validation platform to the users that benchmarks satellite-based and assimilation data products against these surface measurements. To reduce technical barriers to data adoption, POWER data is accessible through RESTful APIs, ESRI ArcGIS Image Services, a web-based Data Access Viewer tool, allowing users to visualize, validate and apply the dataset. For efficient data delivery POWER data is cloud-optimized into Zarr datastore accessible through NASA managed Amazon S3 ensures high-performance allowing users to integrate EO directly into operational pipelines. These customized services will be presented. Use cases from application will be presented from the energy sector - such as for design of generation systems, performance monitoring of solar power plants, in infrastructure sector- optimizing building energy efficiency and thermal comfort, in agriculture – such as driving crop simulation and yield forecasting models to enable climate resilient farming. Furthermore, the shift toward machine learning (ML) in EO research that has positioned POWER as a key provider for training datasets which will be discussed. Use-cases will be presented to showcase how NASA data is enabling the development of predictive tools for climate variability and resource management. The poster will present POWER’s future plans including technology development to enhance data traceability and reproducibility and improving I/O performance to support the rapid integration of new EO products, ensuring that POWER remains a robust scalable backend for the evolving landscape of AI-driven Earth Science. Additionally, POWER is developing an AI Agent and an MCP-Server to enable industry AI-Agentic workflows.

Neha Khadka↗