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Managing Sustainable Data Infrastructures: The Gestalt of EOSDIS

EOSDIS epitomizes a System of Systems, whose many varied and distributed parts are integrated into a single, highly functional organized science data system. A distributed architecture was adopted to ensure discipline-specific support for the science data, while also leveraging standards and establishing policies and tools to enable interdisciplinary research, and analysis across multiple scientific instruments. The EOSDIS is composed of system elements such as geographically distributed archive centers used to manage the stewardship of data. The infrastructure consists of underlying capabilities connections that enable the primary system elements to function together. For example, one key infrastructure component is the common metadata repository, which enables discovery of all data within the EOSDIS system. EOSDIS employs processes and standards to ensure partners can work together effectively, and provide coherent services to users.

remote sensing↗

Artificial Intelligence for Accelerating Nuclear Applications, Science, and Technology

Artificial intelligence (AI) and machine learning (ML) methods have had significant impacts in science and technology in recent years. These methods for generating models from datasets or logic-based algorithms that emulate aspects of human performance can similarly accelerate the fields of nuclear applications, science, and technology toward the IAEA goals of contributing to peace, health, and prosperity. In order to accomplish advances with AI in general and ML in particular across these fields, IAEA can play a significant role by establishing, hosting and curating centralised resources, including databases, adhering to FAIR (findable, accessible, interoperable and reusable) principles and Open Science best practices, providing stewardship of data sharing, supporting training efforts and development of relevant workforces, as well as enabling connections among the scientific, technology, mathematics, AI and ethics communities. Many areas can benefit from the use of AI in the realm of nuclear applications. In human health, these areas include clinical research, epidemiology, nutrition, medical imaging, radiotherapy and education of health professionals. AI-based tools are also being used to facilitate different clinical tasks in imaging, computer-assisted diagnosis in mammography and lung cancer screening programmes, and dose prediction in nuclear medicine procedures. ML methods in particular may also increase the efficiency and accuracy of the analysis of computerised tomography and dual-energy absorptiometry scans for body composition and bone analysis. The application of AI methods to nuclear and related technologies in food and agriculture can lead to significant advances and improved efficiency in the optimisation of agricultural production, food product development, management of supply chains, food safety and food authenticity control. In the water and environmental sector, AI can help inform policies to mitigate the world’s water problems. The application of AI techniques to hydrology and environmental sciences is expected to improve patterns identification and enable model predictions under a changing climate.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

LLNL Response to the DOE ASCR RFI, "Stewardship of Software for Scientific and High-Performance Computing"

For decades, Lawrence Livermore National Laboratory (LLNL) has been engaged in significant research, development, and support for software to enable scientific computing and, particularly, the use of high performance computing (HPC) in the NNSA mission space. In particular, the move in the mid-1990’s to simulation as a leading component of stockpile stewardship through the ASCI and the successor ASC programs, as well as the need for reliable data acquisition and control software for the National Ignition Facility, have been important drivers in building expertise in production-quality software development at LLNL. LLNL has also been a leader in the DOE SciDAC FASTMath Institute and the DOE Exascale Computing Project (ECP), both of which have striven to make scientific computing software – in particular, the enabling technologies underpinning simulation capabilities – more widely adopted and sustainable. As such, we believe that our experience can inform the broader goal of software stewardship for scientific and high-performance computing. LLNL strongly supports the formation of a new DOE ASCR program element in software stewardship and sustainment. Historically, DOE ASCR has funded applied mathematics and computer science research that has led to the development of important new capabilities and algorithms that are expressed as artifacts in research software. Such frameworks, libraries, and tools have seldom been directly funded to address the important issues of code maintenance, documentation, robustness, and community building. Software engineering and support have typically been done on the side in support of the ASCR-driven research products. DOE funding priorities have been slow to recognize that good software engineering, the kind that ensures research investments have more adoption and longevity, requires significant resources. Based upon our experiences, we have prepared this response to highlight the concerns and issues we believe to be important as DOE ASCR considers its role in scientific software stewardship. We believe that role is important and will require a significant investment of new funding to legitimately support the technologies past and future DOE ASCR investments have and will produce to facilitate their uptake and adoption in the broader scientific computing community. Following a summary of our involvement in scientific software development, the remainder our response is organized around the nine topics specifically identified in the RFI.

97 MATHEMATICS AND COMPUTING↗

Community-Driven Methods for Open and Reproducible Software Tools for Analyzing Datasets from Atom Probe Microscopy

Atom probe tomography, and related methods, probe the three-dimensional architecture of a material. The software tools that microscopists use, and how these tools are connected into workflows, makes a substantial contribution to the accuracy and precision of such a material characterization experiment. Typically, we adapt methods from other communities like mathematics, data science, computational geometry, artificial intelligence, or scientific computing. We also realize that improving on research data management is a challenge when it comes to align with the FAIR data stewardship principles. Faced with this global challenge, we are convinced that collaborating is useful. Here, we report the results and challenges with an inter-laboratory call for developing test cases for several types of atom probe software tools. The results support why defining detailed recipes of software workflows and sharing these recipes is necessary and rewarding: Open source tools and (meta)data exchange can help to make our day-to-day data processing tasks become more efficient, the training of new users and knowledge transfer become easier, and assist us with automated quantification of uncertainties to gain access to substantiated results.

36 MATERIALS SCIENCE↗

Information Quality Cluster and Usability

The Information Quality Cluster (IQC) of the Federation of Earth Science Information Partners (ESIP) has been active since 2014 with membership from multiple organizations including NASA and NOAA. The purpose of this presentation is to foster collaboration between the IQC and the ESIP Usability Cluster. The IQC's activities are motivated partly by the guidelines on information quality from several federal agencies. The agencies developed the guidelines complying with a request in 2002 from the Office of Management and Budget (OMB). The OMB request resulted from a congressional mandate, namely, Section 515 of the Treasury and General Government Appropriations Act for Fiscal Year 2001 (Public Law 106-554; H.R. 5658). NASA's guidelines, for example, emphasize the need for high information quality indicating the various types of public users of information from NASA's missions and programs. The IQC's vision is to become an authoritative and responsive resource of information and guidance to data providers on how best to implement data quality standards and best practices, so that the implementations comply with the various agencies' guidelines, as well as provide users with the best quality of information possible. The IQC interacts with various national and international organizations and encourages collaboration for exchange of information. The IQC considers four aspects of information quality: Scientific Quality, Product Quality, Stewardship Quality and Service Quality. The IQC has considered several use cases to identify issues in capturing, describing, providing access to, and enabling use of information on quality. Several of these use cases point to issues about the usability of information. Collaboration between the IQC and Usability Cluster will be beneficial for arriving at solutions to such issues.

Remote Sensing; Data Systems; Information Quality;↗

DOE Repository Metadata Profile (DRMP): A Metadata Framework for Advancing Interoperability and AI Readiness Across Scientific Repositories

The Department of Energy (DOE) funds a diverse and distributed ecosystem of repositories that steward scientific data, publications, and software across its research programs, user facilities, and national laboratories. While significant progress has been made in standardizing dataset-level metadata, the metadata describing repositories themselves (their identity, governance, access interfaces, policies, and technical capabilities) remains inconsistent and fragmented across DOE-funded systems. This variability limits discoverability, interoperability, automated validation, and AI-driven analysis, all of which are increasingly essential for modern scientific workflows. To address this gap, the DOE Data Curation Working Group (DCWG) developed the DOE Repository Metadata Profile (DRMP). The DRMP is a practical, community-driven framework that defines how repositories can describe themselves in a consistent, machine-actionable, and scalable manner. The DRMP is not a new metadata schema. Instead, it is a mapping profile and structured element set capturing the essential characteristics of DOE repositories. It harmonizes repository-level metadata across six widely adopted community schemas: RE3Data; DCAT-US v3; Schema.org; Dublin Core; DataCite 4.6; and PREMIS 3.0. This harmonization eliminates reinvention and enables interoperability within DOE and across the broader scientific ecosystem. A core objective of the DRMP is to reduce burden on repositories by allowing them to reuse their existing metadata through a Rosetta-style crosswalk rather than redesigning local implementations. The profile introduces a three-level conformance model that supports incremental adoption: • Level 1 – Minimum Viable Record (MVR): foundational identification elements required for workflows, project registration, and basic repository presence. • Level 2 – Interoperable: structured metadata enabling alignment with national and international discovery systems. • Level 3 – AI-Ready: enhanced provenance, policy transparency, fixity, semantic context, and capabilities that support automated reasoning, model training governance, and machine-assisted curation. To support implementation, the DRMP includes JSON Schema definitions, OpenAPI patterns, and MCP templates that allow repositories to publish machine-readable metadata directly within existing platforms. These resources are modular and lightweight, enabling adoption without major architectural change. Adopting the DRMP enables repositories to: • Enhance discoverability and interoperability by aligning identifiers, classifications, and descriptive elements across widely used schema standards. • Support federated discovery and cross-registration across DOE systems, Data.gov, and international catalogs. • Enable AI agents and workflow orchestration systems to interpret repository-level metadata within the American Science Cloud (AmSC) through Model Context Protocol (MCP)-based context publication. • Demonstrate alignment with DOE’s open science, stewardship, and FAIR data priorities. This guidance represents a community-driven step forward. Through voluntary adoption and continued feedback, the DRMP advances a cohesive, machine-actionable description of DOE repositories that supports FAIR data practices, preparing the infrastructure for AI-enabled research, and strengthening the discoverability and reuse of DOE’s scientific outputs.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

Enabling Space Biological Knowledge Discovery Through Image and Video Data Sharing

Increased biomedical risks associated with deep space crewed missions (cis-Lunar, Mars transit/surface) require development of health countermeasures, novel ecosystem support, risk modeling, and fundamental space biological knowledge discovery. Molecular-omics, physiological-phenotypic-behavioral, and environmental-radiation telemetry data from space biological and health studies are needed for reuse by scientists to address these tasks. The data as well as space-relevant biospecimens are being made more findable, accessible, interoperable, and reusable through NASA’s Open Science Data Repository (OSDR). This new OSDR umbrella grouping includes NASA GeneLab, the NASA Ames Life Sciences Data Archive (ALSDA), and the NASA Biological Institutional Scientific Collection. The OSDR system design appropriately handles metadata and processed-tabular results from ALSDA studies collected from space experiments. But raw and processed ALSDA bioimage and video datasets require an expansion of OSDR’s data architecture to handle ingestion, curation, and egress. The academic-industry bioimaging field saw a scientific renaissance in the past several years through leveraging open-source software, international collaborations, machine learning, and other open science/programming approaches. As crewed missions and more biological experiments are on the deep space horizon, OSDR is embracing data stewardship through listening to feedback from subject matter experts and designing an expanded architecture which is appropriate for NASA’s goals to enable analysis and reuse of bioimaging and video data for the public science community.Discovery Through Image and Video Data Sharing

space biology↗

Nuclear Physics Exascale Requirements Review: An Office of Science Review sponsored jointly by Advanced Scientific Computing Research and Nuclear Physics, June 15 - 17, 2016, Gaithersburg, Maryland

Imagine being able to predict — with unprecedented accuracy and precision — the structure of the proton and neutron, and the forces between them, directly from the dynamics of quarks and gluons, and then using this information in calculations of the structure and reactions of atomic nuclei and of the properties of dense neutron stars (NSs). Also imagine discovering new and exotic states of matter, and new laws of nature, by being able to collect more experimental data than we dream possible today, analyzing it in real time to feed back into an experiment, and curating the data with full tracking capabilities and with fully distributed data mining capabilities. Making this vision a reality would improve basic scientific understanding, enabling us to precisely calculate, for example, the spectrum of gravity waves emitted during NS coalescence, and would have important societal applications in nuclear energy research, stockpile stewardship, and other areas. This review presents the components and characteristics of the exascale computing ecosystems necessary to realize this vision.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Fission Product Mass Yields in Uranium-233 and Plutonium-239 from Fast-Neutron-Induced Fission

Precise knowledge of nuclear fission is a critical component for nuclear energy and stockpile stewardship research. Despite having been discovered over 80 years ago, fission is not fully described by a predictive theory, so thorough and accurate nuclear data libraries are necessary. These libraries provide information about the fission process in studied isotopes that is used in scientific and engineering models.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Spaceflight Environmental-Telemetry Data for Biological Science

There is a critical need for better access and visualization of spaceflight environmental telemetry and mission hardware data from sensors including relative humidity, carbon dioxide, oxygen, radiation, airflow, temperature, acceleration, and acoustics. Under the stewardship of the Ames Life Sciences Data Archive (ALSDA) and GeneLab, an effort is underway to consolidate, normalize and provide accessibility of archived mission environmental data and hardware information, with the purpose of providing important context to biological data. This effort is necessary to provide scientific context of its impact upon biological and biomedical data from spaceflight missions and experiments (genomic, metagenomic, gene expression, proteomic, metabolomic, physiological, phenomics, behavioral; tabular, imaging, video). Environmental spaceflight data is derived from dozens of sources, with various formats, and in the past year a pipeline is in development to collect, curate and present this data efficiently. In the upcoming year, a new Data Visualization Portal will utilize the standardized pipeline data to provide easy user access to compare parameters and environmental conditions between missions, locations, subjects, and durations. Environmental and hardware data enables broad accessibility and analytics, without the need for advanced data informatic expertise. Familiarity with the capabilities and limitations of a variety of existing hardware/tools is a strength that could be applied to creation of improved hardware for future ecosystems on the Moon and Mars. The intention is to make biological and environmental telemetry data maximally open-access and FAIR (findable, accessible, interoperable, reusable) for data mining-informatic approaches to support knowledge discovery necessary for low Earth orbit, cis-Lunar, Mars transit, and Mars surface missions.

Danielle K. Lopez↗

AI-Ready Data Pilot Project Report

The proliferation of artificial intelligence in scientific research has created an urgent need to define "AI-ready data" for researchers and, more importantly, provide resources to help them produce AI-ready data. At Pacific Northwest National Laboratory, we conducted a pilot study with three data scientists evaluating three CSV datasets from different scientific domains, followed by semi-structured interviews capturing assessment practices. Our findings reveal that AI-readiness evaluation is intuition-based, with practitioners asking "How fast can I go from raw data to my machine learning pipeline?" Data scientists consistently prioritized workflow efficiency, human interpretability, and quality stewardship signals. From these insights, we developed a practical evaluation framework comprising data requirements, metadata standards, and validation tests that provides actionable criteria for producing and curating AI-ready datasets, addressing the gap between theoretical understanding and practical implementation.

97 MATHEMATICS AND COMPUTING↗

Data Cards for Standardized Metadata Across DOE-Aligned Data Initiatives: Toward Transparent, Interoperable, and Governed Dataset Documentation

As data-intensive research, advanced computing, and artificial intelligence become increasingly central to scientific and operational workflows, the need for consistent, transparent, and machine-actionable documentation has grown correspondingly. Multiple DOE-aligned communities—including Office of Science, Genesis Mission, American Science Cloud (AmSC), National Nuclear Security Administration (NNSA) stewardship and governance, and related cross-laboratory collaborations—have independently developed metadata practices to support discovery, access, reuse, repository deposit, and compliance.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

The Lifecycle of NASA's Earth Science Enterprise Data Resources

A major endeavor of NASA's Earth Science Enterprise (ESE) is to acquire, process, archive and distribute data from Earth observing satellites in support of a broad set of science research and applications in the U. S. and abroad. NASA policy directives specifically call for the agency to collect, announce, disseminate and archive all scientific and technical data resulting from NASA and NASA-funded research. During the active life of the satellite missions, while the data products are being created, validated and refined, a number of NASA organizations have the responsibility for data and information system functions. Following the completion of the missions, the responsibility for the long-term stewardship of the ocean and atmospheric, and land process data products transitions to the National Oceanic and Atmospheric Administration (NOAA) and the U.S. Geological Survey (USGS), respectively. Ensuring that long-term satellite data be preserved to support global climate change studies and other research topics and applications presents some major challenges to NASA and its partners. Over the last several years, with the launch and operation of the EOS satellites and the acquisition and production of an unprecedented volume of Earth science data, the importance of addressing these challenges has been elevated. The lifecycle of NASA's Earth science data has been the subject of several agency and interagency studies and reports and has implications and effects on agency charters, policies and budgets and on their data system's requirements, implementation plans and schedules. While much remains to be done, considerable progress has been made in understanding and addressing the data lifecycle issues.

McDonald, Kenneth R.↗

Materials Data Science Ontology(MDS-Onto): Unifying Domain Knowledge in Materials and Applied Data Science

Ontologies have gained popularity in the scientific community as a way to standardize terminologies in organizations’ data. Although certain cohorts have created frameworks with rules and guidelines on creating ontologies, there exist significant variations in how Materials Science ontologies are currently developed. We seek to provide guidance in the form of a unified automated framework for developing interoperable and modular ontologies for Materials Data Science that simplifies the ontology terms matching by establishing a semantic bridge up to the Basic Formal Ontology(BFO). This framework provides key recommendations on how ontologies should be positioned within the semantic web, what knowledge representation language is recommended, and where ontologies should be published online to boost their findability and interoperability. Two fundamental components of the MDS-Onto framework are the bilingual package called FAIRmaterials for ontology creation and FAIRLinked, for FAIR data creation. To showcase the practical capabilities of FAIRmaterials, we present two exemplar domain ontologies of MDS-Onto: Synchrotron X-Ray Diffraction and Photovoltaics.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Oak Ridge National Laboratory Annual Sustainability Report 2023

ORNL, managed under contract by UT-Battelle LLC, is DOE’s largest science and energy laboratory and, as such, executes the widest range of mission capabilities. Diverse expertise spans a broad range of scientific and engineering disciplines, enabling research and science achievements to accelerate the delivery of solutions to the marketplace. ORNL supports DOE’s national missions of scientific discovery, clean energy, and security. To execute these activities, ORNL has grown significantly over 80 years of continuous operations, consisting of facilities with commissioning dates ranging from the 1940s to the present—an extraordinary set of distinctive scientific facilities and equipment. The complexities of such a variety of facilities require teamwork among divisions, a wide variety of conservation projects, and creative strategies to achieve the desired energy and water savings. Such a diverse and unique set of major facilities, totaling over 5.5 million square feet, with 6,000 employees, requires an innovative plan to accomplish advancements in operational efficiencies. ORNL is tasked with the management of an extraordinary set of distinctive scientific facilities and equipment for DOE. ORNL is mission-driven, and its mission has grown substantially over the decades. ORNL’s core research capabilities provide broad science and technology support for DOE in the areas of energy, environment, and national security. Currently, ORNL is a world leader in materials, neutron, and nuclear science and engineering, and in high-performance computing and data analytics. ORNL’s vast portfolio of research facilities must be maintained and carefully upgraded to protect the nation’s investment in scientific analysis. The goal of sustainable and resilient operations is to enable more effective execution of ORNL’s science and technology mission. Sustainable operational practices and enhanced resilience strive for excellent results while remaining diligent in energy conservation, environmental stewardship, asset management, and community engagement. The Sustainable ORNL Program (Sustainable ORNL) Continuous improvements in operational and business processes must be integrated into the fabric of the ORNL culture to maximize the return from the investment made in modernizing facilities and equipment. The Sustainable ORNL program promotes the legacy of system-wide best practices, management commitment, and employee engagement that will lead ORNL into a future of efficient, resilient, and sustainable operations. ORNL leadership and Sustainable ORNL champions receive regular status reports on the progress of each project and focus area (i.e., roadmap) and periodic summary reports. More information can be found at the program’s website. The Sustainable ORNL roadmap structure endorses 15 vital roadmaps. The figure below summarizes the current project assignments and demonstrates that each project contributes to the wellbeing of the whole. Continuous employee engagement and regular status reports confirm the ideals of the program. The roadmap structure is not static; as the science mission advances and the needs of the organization evolve, the Sustainable ORNL roadmap structure elements are modified to align with developing priorities. In 2022, Sustainable ORNL made roadmap changes to better align ORNL to support new federal requirements that have been issued.

54 ENVIRONMENTAL SCIENCES↗

Satellite altimetry

Since altimetry data are not really old enough to use the term data archaeology, Mr. Cheney referred to the stewardship of these data. He noted that it is very important to document the basis for an altimetry data set as the algorithms and corrections used to arrive at the Geophysical Data Record (GDR) have been improving and are continuing to improve the precision of sea level data derived from altimetry. He noted that the GEOSAT Exact Repeat Mission (ERM) data set has recently been reprocessed by his organization in the National Ocean Service of NOAA and made available to the scientific community on CD/ROM disks by the National Oceanographic Data Center of the U.S. (NODC). The new data set contains a satellite orbit more precise by an order of magnitude together with an improved water vapor correction. A new, comprehensive GDR Handbook has also been prepared.

Cheney, Robert E.↗

Microbial inoculants for soil restoration: A Risk-Proportional Stewardship Framework Integrating Strain-Resolved Genomics and Adaptive Governance

Global soil degradation and increasing reliance on chemical inputs threaten agricultural sustainability, driving interest in microbial inoculants as tools for soil restoration. These biological products have the potential to enhance nutrient cycling, improve soil structure, and support plant resilience, but their environmental release raises important safety and stewardship considerations. Here, we propose a risk-proportional framework for the responsible deployment of microbial inoculants grounded in release-based stewardship. The framework integrates genome-resolved strain identification, exclusionary hazard screening, bioassay-based risk triage, ecological testing under realistic conditions, and monitored field deployment. Drawing on evidence from microbial ecology and invasion biology, we highlight how inoculants can alter resident microbial communities, influence ecosystem function, and, in some cases, facilitate gene flow, underscoring the need for risk assessment. We further outline a federated, genome-informed data infrastructure to support traceability, cross-jurisdiction learning, and adaptive management. Together, this approach provides a scalable and scientifically grounded pathway to balance innovation and safety, enabling microbial technologies to contribute to soil restoration and climate-resilient agriculture.

Edlund, Anna [OATH Inc]↗

National Laboratories for Environmental Management and Stewardship (NNLEMS) National Lab Capabilities in Unmanned Aerial Systems (UAS) (Revision 1)

The Network of National Laboratories for Environmental Management and Stewardship (NNLEMS) formed an Unoccupied Aircraft Systems (UAS) topical team in spring 2025 for the purpose of documenting the capabilities of the National Laboratories relevant to the goals and needs of the Department of Energy (DOE) Office of Legacy Management (LM). The team was comprised of representatives from eight National Laboratories (Table 1), thereby bringing diverse skillsets from across the DOE complex. Recognizing that LM has extensive experience working with UAS contractors and using data collected from UAS, the topical team focused on the National Laboratories’ unique capabilities and types of scientific investigations that are not yet commercially available or easily contracted as services.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗