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At least 415 records · Page 23

Status Report on the Molten Salt Thermodynamic Database (MSTDB) Development (FY20)

The current status of the Molten Salt Thermodynamic Database (MSTDB) is reported. While a series of informational exchange meetings with Moten Salt Reactor (MSR) developers has given the NEAMS program insight into the systems of interest, the current effort is devoted to mining data already available in the literature for continued development of MSTDB. Many relevant systems have not been previously studied. Therefore, once the data from the literature is completely reviewed, curated, and used as inputs for MSTDB, new thermodynamic values will need to be generated using computational and experimental approaches.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Maine Ecological Forecasting III: Utilizing Earth Observations to Monitor Federally Endangered Atlantic Salmon (Salmo salar) Habitat in Maine: An Interactive Workshop

Shifting patterns in land use and land cover (LULC), temperature, and precipitation have exacerbated a rapid decline in Federally Endangered wild Atlantic salmon (Salmo salar) populations. The team at NASA DEVELOP partnered with the Maine Department of Marine Resources (DMR) and the Downeast Salmon Federation (DSF) to create a comprehensive workshop designed to demonstrate the applicability of Earth observations in examining these threats using the Penobscot, Union, and Machias Rivers as case studies. This entailed curating tutorials for acquiring and analyzing satellite data using Google Earth Engine, EarthExplorer, and Earthdata. The team demonstrated how to classify LULC in ArcGIS Pro from 1985 until 2021 using Landsat 5 Thematic Mapper (TM), Landsat 8 Operation Land Imager (OLI), Sentinel-2 MultiSpectral Instrument (MSI), and datasets from the United Stated Geological Survey (USGS) National Land Cover Database (NLCD), showing an overall transition from coniferous forests to other LULC classes. The team also demonstrated how to use historical data from Terra Moderate Resolution Imaging Spectroradiometer (MODIS) and Integrated Multi-satellite Retrievals for Global Precipitation Measurement (GPM IMERG) to generate 2021 land surface temperature (LST) and precipitation maps, respectively, showing that Maine was abnormally dry during the summer in an increasingly warm region. These workshop materials will aid the partners in integrating NASA Earth observations into their future salmon habitat restoration initiatives.

Jonathan Falciani↗

SimLBR: Learning to Detect Fake Images by Learning to Detect Real Images

The rapid advancement of generative models has made the detection of AI-generated images a critical challenge for both research and society. Recent works have shown that most state-of-the-art fake image detection methods overfit to their training data and catastrophically fail when evaluated on curated hard test sets with strong distribution shifts. In this work, we argue that it is more principled to learn a tight decision boundary around the real image distribution and treat the fake category as a sink class. To this end, we propose SimLBR, a simple and efficient framework for fake image detection with Latent Blending Regularization (LBR). Our method significantly improves cross-generator generalization, achieving up to +24.85% accuracy and +69.62% recall on the challenging Chameleon benchmark. SimLBR is also highly efficient, training orders of magnitude faster than existing approaches. Furthermore, we emphasize the need for reliability-oriented evaluation in fake image detection, introducing risk-adjusted metrics and worst-case estimates to better assess model robustness. All the code and models are availabe at: https://github.com/mvrl/SimLBR

Dhakal, Aayush [Washington University, St. Louis]↗

Hierarchical Conceptual Model Event and Activity Domains for Forecasting State-Sponsored Civil Nuclear Power Activities

In FY20, the Savannah River National Laboratory and the Sanghani Center for Artificial Intelligence and Data Analytics (Virginia Tech) entered a collaboration funded by the Department of Energy’s Office of Defense Nuclear Nonproliferation Research and Development to develop a machine learning based modeling pipeline to extract proliferation events of interest from open data sources. The prototype modeling pipeline that was developed relies on the use of time dependent word embedding models to identify contextual shifts in key words and phrases that act as indicators of events of interest. The FY20- 21 efforts were focused on a narrow topical domain of forecasting “fissile core fabrication” at the Savannah River Site prior to its official announcement in 2018. In FY22, the research team was funded to continue development of the modeling pipeline by applying it to the problem of forecasting new, and/or significant changes to existing, civil nuclear power reactors around the world. In this effort, the development will focus on proving applicability to a broader topical domain and in data environments that may contain more sparse information, relative to the United States. In this report, the worldwide landscape of civil nuclear reactors is outlined, the timeline of interest is defined, and a hierarchical conceptual model is established to identify the activity domains of interest and the event domains of interest. This preliminary effort will guide the curation of a glossary of key terms for data acquisition, as well as the downstream modeling efforts.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

PDB‐101: Molecular Explorations through Biology and Medicine

PDB‐101 is an online portal for teachers, students, and the general public to promote exploration of the structural biology of proteins and nucleic acids ( pdb101.rcsb.org ). Learning about the diverse shapes and functions of these biological macromolecules helps to understand all aspects of biomedicine and agriculture, from protein synthesis to health and disease to biological energy. Why PDB‐101? Researchers around the world are studying these molecules at the atomic level. These 3D structures are freely available at the Protein Data Bank (PDB), the central storehouse of biomolecular structures. This website builds introductory materials to help beginners get started in the basics of biomolecular structure and function (“101”, as in an entry level course) as well as resources for extended learning. Since 2011, PDB‐101 has been developed by the RCSB PDB , a global resource for the advancement of research and education in biology and medicine. Along with our Worldwide PDB collaborators, RCSB PDB curates, annotates, and makes publicly available the PDB data deposited by scientists around the globe. The RCSB PDB then provides a window to these data through a rich online resource with powerful searching, reporting, and visualization tools for researchers. This information is then streamlined for students and teachers at PDB‐101. Features include the ongoing Molecule of the Month series, educational materials such as paper models, posters, molecular animations, educational curricula and more. The section “Guide to Understanding PDB Data” is a primer for detailed PDB‐specific information: PDB Data, Visualizing Structures, Reading Coordinate Files, scientific methods for structure determination, and more. PDB‐101 also runs annual Video Challenges for high school students. Participants create short videos that tell molecular stories that connect structural biology and medicine. Previous topics have included HIV/AIDS, diabetes, and antimicrobial resistance. The 2022 challenge will focus on Molecular Mechanisms of Cancer. PDB‐101 activities are evaluated using user surveys, feedback from in‐person activities, and website analytics. In 2020, PDB‐101 hosted >850,000 users and >2.6 million page views.

Zardecki, Christine↗

Antarctic ice sheet model comparison with uncurated geological constraints shows that higher spatial resolution improves deglacial reconstructions

Accurately reconstructing past changes to the shape and volume of the Antarctic ice sheet relies on the use of physically based and thus internally consistent ice sheet modeling, benchmarked against spatially limited geologic data. The challenge in model benchmarking against geologic data is diagnosing whether model-data misfits are the result of an inadequate model, inherently noisy or biased geologic data, and/or incorrect association between modeled quantities and geologic observations. In this work we address this challenge by (i) the development and use of a new model-data evaluation framework applied to an uncurated data set of geologic constraints, and (ii) nested high-spatial-resolution modeling designed to test the hypothesis that model resolution is an important limitation in matching geologic data. While previous approaches to model benchmarking employed highly curated datasets, our approach applies an automated screening and quality control algorithm to an uncurated public dataset of geochronological observations (specifically, cosmogenic-nuclide exposure-age measurements from glacial deposits in ice-free areas). This optimizes data utilization by including more geological constraints, reduces potential interpretive bias, and allows unsupervised assimilation of new data as they are collected. We also incorporate a nested model framework in which high-resolution domains are downscaled from a continent-wide ice sheet model. We highlight the application of this framework by applying these methods to a small ensemble of deglacial ice-sheet model simulations, and demonstrate that the nested approach improves the ability of model simulations to match exposure age data collected from areas of complex topography and ice flow. We develop a range of diagnostic model-data comparison metrics to provide more insight into model performance than possible from a single-valued misfit statistic, showing that different metrics capture different aspects of ice sheet deflation.

Geosciences↗

A total of 19 months of daily weather logging on the US east coast: the WFIP3 event log

The Third Wind Forecast Improvement Project (WFIP3) is a multi-institutional field campaign designed to advance the understanding and prediction of the offshore atmospheric boundary layer along the US east coast. Extending from February 2024 through August 2025, WFIP3 combines long-term coastal and offshore measurements with targeted modeling and forecasting efforts. This data paper presents the WFIP3 event log, a curated record of 578 d of meteorological phenomena and field observations that complements the campaign's extensive high-frequency datasets. The event log provides both manually documented daily weather discussions and automatically derived indicators of atmospheric processes – including low-level jets, wind ramps, extreme wind veer, and weak wind conditions – based on observations from scanning lidars deployed at three coastal and offshore sites. The dataset offers structured metadata, standardized time and site identifiers, and consistent terminology to facilitate its integration with WFIP3's observational and modeling data products. The log supports diverse applications, from model evaluation and forecast verification to the selection of case studies on offshore boundary-layer dynamics. The WFIP3 event log is publicly available through the US Department of Energy's Wind Data Hub, providing the research community with a transparent and enduring contextual reference for the interpretation and use of WFIP3 measurements.

17 WIND ENERGY↗

A-Train Datalist - A New GES DISC Service to Allow One-Stop Shopping for A-Train Data

The currently available services at the Goddard Earth Sciences Data Information Services Center (GES DISC) only allow users to select variables from a single data set at a time. Because entire variables from a data set are often displayed, user selection of variables of interest can be overwhelming. At the American Geophysical Union (AGU) 2016 Fall Meeting, GES DISC unveiled a new service called Datalist: a collection of predefined or user-defined data variables from one or more archived data sets. Our science support team has been curating Datalists and providing added value to the user community.Originally known as Afternoon Constellation, A-Train includes six currently on polar-orbiting Earth observation satellites: OCO-2, GCOM-W1, Aqua, CALIPSO, CloudSat, and Aura, which travel a few minutes apart from each other. This constellation arrangement has enabled coordinated science observations further forming comprehensive pictures of Earth weather and climate that are readily for use in crucial studies such as climate change.GES DISC Datalists are based on the software architecture of the new GES DISC website (also unveiled at the AGU 2016 Fall Meeting). The GES DISC science support team has created a Datalist to support the A-Train Data Depot (ATDD). Using pre-defined Datalist should hopefully save users significant effort in their data searches.

A-Train data ordering↗

Ames Life Science Data Archive: Translational Rodent Research at Ames

The Life Science Data Archive (LSDA) office at Ames is responsible for collecting, curating, distributing and maintaining information pertaining to animal and plant experiments conducted in low earth orbit aboard various space vehicles from 1965 to present. The LSDA will soon be archiving data and tissues samples collected on the next generation of commercial vehicles; e.g., SpaceX & Cygnus Commercial Cargo Craft. To date over 375 rodent flight experiments with translational application have been archived by the Ames LSDA office. This knowledge base of fundamental research can be used to understand mechanisms that affect higher organisms in microgravity and help define additional research whose results could lead the way to closing gaps identified by the Human Research Program (HRP). This poster will highlight Ames contribution to the existing knowledge base and how the LSDA can be a resource to help answer the questions surrounding human health in long duration space exploration. In addition, it will illustrate how this body of knowledge was utilized to further our understanding of how space flight affects the human system and the ability to develop countermeasures that negate the deleterious effects of space flight. The Ames Life Sciences Data Archive (ALSDA) includes current descriptions of over 700 experiments conducted aboard the Shuttle, International Space Station (ISS), NASA/MIR, Bion/Cosmos, Gemini, Biosatellites, Apollo, Skylab, Russian Foton, and ground bed rest studies. Research areas cover Behavior and Performance, Bone and Calcium Physiology, Cardiovascular Physiology, Cell and Molecular Biology, Chronobiology, Developmental Biology, Endocrinology, Environmental Monitoring, Gastrointestinal Physiology, Hematology, Immunology, Life Support System, Metabolism and Nutrition, Microbiology, Muscle Physiology, Neurophysiology, Pharmacology, Plant Biology, Pulmonary Physiology, Radiation Biology, Renal, Fluid and Electrolyte Physiology, and Toxicology. These experiment descriptions and data can be accessed online via the public LSDA website (http://lsda.jsc.nasa.gov) and information can be requested via the Data Request form at http://lsda.jsc.nasa.gov/common/dataRequest/dataRequest.aspx or by contacting the ALSDA Office at: Alison.J.French@nasa.gov

Life Sciences↗

Earth and Space Science Informatics Perspectives on Integrated, Coordinated, Open, Networked (ICON) Science

Abstract This article is composed of three independent commentaries about the state of Integrated, Coordinated, Open, Networked (ICON) principles (Goldman, et al., 2021b, https://doi.org/10.1029/2021EO153180 ) in Earth and Space Science Informatics (ESSI) and includes discussion on the opportunities and challenges of adopting them. Each commentary focuses on a different topic: (Section 2) Global collaboration, cyberinfrastructure, and data sharing; (Section 3) Machine learning for multiscale modeling; (Section 4) Aerial and satellite remote sensing for advancing Earth system model development by integrating field and ancillary data. ESSI addresses data management practices, computation and analysis, and hardware and software infrastructure. Our role in ICON science therefore involves collaborative work to assess, design, implement, and promote practices and tools that enable effective data management, discovery, integration, and reuse for interdisciplinary work in Earth and space science disciplines. Networks of diverse people with expertise across Earth, space, and data science disciplines are essential for efficient and ethical exchanges of findable, accessible, interoperable, and reusable (FAIR) research products and practices. Our challenge is then to coordinate the development of standards, curation practices, and tools that enable integrating and reusing multiple data types, software, multi‐scale models, and machine learning approaches across disciplines in a way that is as open and/or FAIR as ethically possible. This is a major endeavor that could greatly increase the pace and potential of interdisciplinary scientific discovery.

58 GEOSCIENCES↗

Developing a SARS-CoV-2 main protease binding prediction random forest model for drug repurposing for COVID-19 treatment

The coronavirus disease 2019 (COVID-19) global pandemic resulted in millions of people becoming infected with the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) virus and close to seven million deaths worldwide. It is essential to further explore and design effective COVID-19 treatment drugs that target the main protease of SARS-CoV-2, a major target for COVID-19 drugs. In this study, machine learning was applied for predicting the SARS-CoV-2 main protease binding of Food and Drug Administration (FDA)-approved drugs to assist in the identification of potential repurposing candidates for COVID-19 treatment. Ligands bound to the SARS-CoV-2 main protease in the Protein Data Bank and compounds experimentally tested in SARS-CoV-2 main protease binding assays in the literature were curated. These chemicals were divided into training (516 chemicals) and testing (360 chemicals) data sets. To identify SARS-CoV-2 main protease binders as potential candidates for repurposing to treat COVID-19, 1188 FDA-approved drugs from the Liver Toxicity Knowledge Base were obtained. A random forest algorithm was used for constructing predictive models based on molecular descriptors calculated using Mold2 software. Model performance was evaluated using 100 iterations of fivefold cross-validations which resulted in 78.8% balanced accuracy. The random forest model that was constructed from the whole training dataset was used to predict SARS-CoV-2 main protease binding on the testing set and the FDA-approved drugs. Model applicability domain and prediction confidence on drugs predicted as the main protease binders discovered 10 FDA-approved drugs as potential candidates for repurposing to treat COVID-19. Our results demonstrate that machine learning is an efficient method for drug repurposing and, thus, may accelerate drug development targeting SARS-CoV-2.

Research & Experimental Medicine↗

Antarctic Meteorite Classification and Petrographic Database Enhancements

The Antarctic Meteorite collection, which is comprised of over 18,700 meteorites, is one of the largest collections of meteorites in the world. These meteorites have been collected since the late 1970 s as part of a three-agency agreement between NASA, the National Science Foundation, and the Smithsonian Institution [1]. Samples collected each season are analyzed at NASA s Meteorite Lab and the Smithsonian Institution and results are published twice a year in the Antarctic Meteorite Newsletter, which has been in publication since 1978. Each newsletter lists the samples collected and processed and provides more in-depth details on selected samples of importance to the scientific community. Data about these meteorites is also published on the NASA Curation website [2] and made available through the Meteorite Classification Database allowing scientists to search by a variety of parameters. This paper describes enhancements that have been made to the database and to the data and photo acquisition process to provide the meteorite community with faster access to meteorite data concurrent with the publication of the Antarctic Meteorite Newsletter twice a year.

Todd, N. S.↗

EmSense: A High-Resolution Emulated Sensor for Experiments with the Smart Grid and Distributed Ledger Technology

This work involves the development of a device - EmSense (“Emulated Sensor”) - that emulates a high-resolution sensor for a power grid. The device collects raw current and voltage sensor data which derive from ORNL's signature library. This library is a dataset that ORNL curates from many different sources that include power systems from various utilities. The EmSense packages the data from the library in the form of IEC 61850 Sampled Value (SV) packets and then broadcasts these SV packets on the network. In another mode, EmSense can generate artificial sinusoidal data that appears as waveforms for voltage and current signals. EmSense has an internal algorithm for determining the period of a signal based on the data so that the period can be specified as a variable in the IEC 61850 packets. The purpose of EmSense is to allow for experimentation with the Dark Net Infrastructure where a variety of power line sensors must be represented along with their typical communication traffic. The EmSense device was developed in coordination with the software for receiving and processing the packets in the Distributed Ledger Technology (DLT) framework of the DarkNet Project. This receiving software must have a methodology for dealing with information of high velocity, variety, and volume. Experimenting with EmSense facilitates the development of such software. The results showed that the DLT framework and the trust-anchoring approach managed to process a large flow of traffic even with up to six instances of EmSense device broadcasting data. This was achieved without overfilling packet queues in the memory of the actual hardware of the DLT devices or causing the Central Processing Unit (CPU) of the hardware to be overwhelmed. The DLTs were also able to store the data in a compact and useful form for later analysis and archival purposes.

Werth, Aaron↗

WPEC SG50: Developing an Automatically Readable, Comprehensive and Curated Experimental Nuclear Reaction Database

The Organisation for Economic Co-operation and Development (OECD) Nuclear Energy Agency (NEA) Working Party on International Nuclear Data Evaluation Co-operation (WPEC) subgroup (SG) 50 was formed in 2020 to develop an automatically readable, comprehensive and curated experimental nuclear reaction database. This database is called MEDUSAL (Machine-readable Experimental Data User Application & Library), and will draw from EXFOR. The EXFOR database preserves experimental nuclear reaction data true to its original documentation and information from the authors of the data. MEDUSAL will deviate from EXFOR by storing additional information from users of the data for their fields of work (evaluation, model development, validation, etc.). This includes expert judgment on the data sets, identification of data points as outliers, renormalization of the data to the newest monitor reactions, and estimations of missing uncertainty sources. The format for MEDUSAL is being developed to enable easy automatic parsing of large amounts of data. Here, we will summarize the use cases, high-level requirements and first steps towards developing the database MEDUSAL and the API to access it.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Electricity and natural gas tariffs at United States wastewater treatment plants

Abstract Wastewater treatment plants (WWTPs) are large electricity and natural gas consumers with untapped potential to recover carbon-neutral biogas and provide energy services for the grid. Techno-economic analysis of emerging energy recovery and management technologies is critical to understanding their commercial viability, but quantifying their energy cost savings potential is stymied by a lack of well curated, nationally representative electricity and natural gas tariff data. We present a dataset of electricity tariffs for the 100 largest WWTPs in the Clean Watershed Needs Survey (CWNS) and natural gas tariffs for the 54 of 100 WWTPs with on-site cogeneration. We manually collected tariffs from each utility’s website and implemented data checks to ensure their validity. The dataset includes facility metadata, electricity tariffs, and natural gas tariffs (where cogeneration is present). Tariffs are current as of November 2021. We provide code for technical validation along with a sample simulation.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Detection of translational noncrystallographic symmetry in Patterson functions

Detection of translational noncrystallographic symmetry (TNCS) can be critical for success in crystallographic phasing, particularly when molecular-replacement models are poor or anomalous phasing information is weak. If the correct TNCS is detected then expected intensity factors for each reflection can be refined, so that the maximum-likelihood functions underlying molecular replacement and single-wavelength anomalous dispersion use appropriate structure-factor normalization and variance terms. Here, an analysis of a curated database of protein structures from the Protein Data Bank to investigate how TNCS manifests in the Patterson function is described. These studies informed an algorithm for the detection of TNCS, which includes a method for detecting the number of vectors involved in any commensurate modulation (the TNCS order). The algorithm generates a ranked list of possible TNCS associations in the asymmetric unit for exploration during structure solution.

59 BASIC BIOLOGICAL SCIENCES↗

Structured Prompt Interrogation and Recursive Extraction of Semantics (SPIRES): a method for populating knowledge bases using zero-shot learning

Abstract Motivation Creating knowledge bases and ontologies is a time consuming task that relies on manual curation. AI/NLP approaches can assist expert curators in populating these knowledge bases, but current approaches rely on extensive training data, and are not able to populate arbitrarily complex nested knowledge schemas. Results Here we present Structured Prompt Interrogation and Recursive Extraction of Semantics (SPIRES), a Knowledge Extraction approach that relies on the ability of Large Language Models (LLMs) to perform zero-shot learning and general-purpose query answering from flexible prompts and return information conforming to a specified schema. Given a detailed, user-defined knowledge schema and an input text, SPIRES recursively performs prompt interrogation against an LLM to obtain a set of responses matching the provided schema. SPIRES uses existing ontologies and vocabularies to provide identifiers for matched elements. We present examples of applying SPIRES in different domains, including extraction of food recipes, multi-species cellular signaling pathways, disease treatments, multi-step drug mechanisms, and chemical to disease relationships. Current SPIRES accuracy is comparable to the mid-range of existing Relation Extraction methods, but greatly surpasses an LLM’s native capability of grounding entities with unique identifiers. SPIRES has the advantage of easy customization, flexibility, and, crucially, the ability to perform new tasks in the absence of any new training data. This method supports a general strategy of leveraging the language interpreting capabilities of LLMs to assemble knowledge bases, assisting manual knowledge curation and acquisition while supporting validation with publicly-available databases and ontologies external to the LLM. Availability and implementation SPIRES is available as part of the open source OntoGPT package: https://github.com/monarch-initiative/ontogpt.

59 BASIC BIOLOGICAL SCIENCES↗

A Study of the Curation Protocol by Sample Analysis Working Team (SAWT) in Martian Moons eXploration (MMX) Project

Japan Aerospace Exploration Agency (JAXA) will launch a spacecraft in 2024 for a sample return mission from Phobos (Martian Moons eXploration: MMX). The major scientific goals of MMX are to constrain (1) the origin of Phobos and Deimos and (2) the evolution of the Mars-moon system [1]. The touchdown operations are planned to be performed twice at different landing sites on the Phobos surface to collect > 10 g of the surface materials [2]. After the return to the Earth, the Phobos samples will be collected from the individual sample canisters and introduced to the clean chamber installed at ISAS (Institute of Space and Astronautical Science). The Sample Analysis Working Team (SAWT) of MMX designed the procedure of Phobos sample analysis mainly conducted by the initial analysis teams [3]. For the next step, the SAWT will define the procedure of the curation process (mostly non-destructive analysis) of the Phobos samples, which will be presented here. The protocols of the Phobos sample curation is illustrated in figure 1. First, the headspace gas from the sample container will be collected during the Quick Analysis phase. The Quick Analysis will be operated by the sampler and curation teams in ISAS/JAXA. The terrestrial leak and contamination from the sampling systems will be tested using a quadrupole mass spectrometer equipped with a gas sampling system. Second, the bulk Phobos sample will be observed in the clean chamber under purified-N2 gas with an ambient condition (Pre-basic Characterization). This phase will be operated by the curation team in ISAS/JAXA and the instrument team of the MMX mission. The consistency between the data from the instruments in the clean chamber and the spacecraft will then be evaluated. Subsequently, the curation will distribute the small amount of Phobos samples to the Initial analysis team of MMX to conduct the "Preliminary Examination". The objectives of the preliminary examination are to provide (1) feedback on the subsequent sample allocation process, (2) preliminary scientific results that will address parts of MMX mission goals, and (3) evaluation of the sampling system and terrestrial alteration on Phobos samples. Because multiple models are proposed for the origin of Phobos [1] (e.g., giant impact, the capture of asteroids), the chemical and mineralogical characteristics of Phobos must be assessed before the allocation of the samples to the individual initial analysis teams. Simultaneously, the curation team in JAXA will observe the individual grains and aliquots of the samples in the clean chamber (Basic Characterization).

R Fukai↗