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At least 613 records · Page 34

International Metadata Standards and Enterprise Data Quality Metadata Systems

Well-documented data quality is critical in situations where scientists and decision-makers need to combine multiple datasets from different disciplines and collection systems to address scientific questions or difficult decisions. Standardized data quality metadata could be very helpful in these situations. Many efforts at developing data quality standards falter because of the diversity of approaches to measuring and reporting data quality. The one size fits all paradigm does not generally work well in this situation. I will describe these and other capabilities of ISO 19157 with examples of how they are being used to describe data quality across the NASA EOS Enterprise and also compare these approaches with other standards.

data quality↗

Viral Envelope Evolution in Simian–HIV-Infected Neonate and Adult-Dam Pairs of Rhesus Macaques

We recently demonstrated that Simian–HIV (SHIV)-infected neonate rhesus macaques (RMs) generated heterologous HIV-1 neutralizing antibodies (NAbs) with broadly-NAb (bNAb) characteristics at a higher frequency compared with their corresponding dam. Here, we characterized genetic diversity in Env sequences from four neonate or adult/dam RM pairs: in two pairs, neonate and dam RMs made heterologous HIV-1 NAbs; in one pair, neither the neonate nor the dam made heterologous HIV-1 NAbs; and in another pair, only the neonate made heterologous HIV-1 NAbs. Phylogenetic and sequence diversity analyses of longitudinal Envs revealed that a higher genetic diversity, within the host and away from the infecting SHIV strain, was correlated with heterologous HIV-1 NAb development. We identified 22 Env variable sites, of which 9 were associated with heterologous HIV-1 NAb development; 3/9 sites had mutations previously linked to HIV-1 Env bNAb development. These data suggested that viral diversity drives heterologous HIV-1 NAb development, and the faster accumulation of viral diversity in neonate RMs may be a potential mechanism underlying bNAb induction in pediatric populations. Moreover, these data may inform candidate Env immunogens to guide precursor B cells to bNAb status via vaccination by the Env-based selection of bNAb lineage members with the appropriate mutations associated with neutralization breadth.

60 APPLIED LIFE SCIENCES↗

Graphical Gaussian Process Regression Model for Aqueous Solvation Free Energy Prediction of Organic Molecules in Redox Flow Battery

The solvation free energy of organic molecules is a critical parameter in determining emergent properties such as solubility, liquid-phase equilibrium constants, and pKa and redox potentials in an organic redox flow battery. In this work, we present a machine learning (ML) model that can learn and predict the aqueous solvation free energy of an organic molecule using Gaussian process regression method based on a new molecular graph kernel. To investigate the performance of the ML model on electrostatic interaction, the nonpolar interaction contribution of solvent and the conformational entropy of solute in solvation free energy, three data sets with implicit or explicit water solvent models, and contribution of conformational entropy of solute are tested. We demonstrate that our ML model can predict the solvation free energy of molecules at chemical accuracy with a mean absolute error of less than 1 kcal/mol for subsets of the QM9 dataset and the Freesolv database. To solve the general data scarcity problem for a graph-based ML model, we propose a dimension reduction algorithm based on the distance between molecular graphs, which can be used to examine the diversity of the molecular data set. It provides a promising way to build a minimum training set to improve prediction for certain test sets where the space of molecular structures is predetermined.

25 ENERGY STORAGE↗

An Edge Alignment-Based Orientation Selection Method for Neutron Tomography

Neutron computed tomography (nCT) is a 3D char-acterization technique used to image the internal morphology or chemical composition of samples in biology and materials sciences. A typical workflow involves placing the sample in the path of a neutron beam, acquiring projection data at a predefined set of orientations, and processing the resulting data using an analytic reconstruction algorithm. Typical nCT scans require hours to days to complete and are then processed using conventional filtered back-projection (FBP), which performs poorly with sparse views or noisy data. Hence, the main methods in order to reduce overall acquisition time are the use of an improved sampling strategy combined with the use of advanced reconstruction methods such as model-based iterative reconstruction (MBIR). In this paper, we propose an adaptive orientation selection method in which an MBIR reconstruction on previously-acquired measurements is used to define an objective function on orientations that balances a data-fitting term promoting edge alignment and a regularization term promoting orientation diversity. Using simulated and experimental data, we demonstrate that our method produces high-quality reconstructions using significantly fewer total measurements than the conventional approach.

Yang, Diyu↗

Probabilistic Programming for Transportable Source Characterization and Uncertainty Quantification of the North Korean Nuclear Tests 2006–2017

Here, we introduce a transportable technique to determine the yield and depth of burial (DOB) from seismic source spectra of underground nuclear explosions. We demonstrate this technique on the six declared North Korean nuclear tests. This approach derives source spectra in absolute units from regional phase (Pg) amplitudes by correcting the observations for geometric spreading, attenuation, and site amplification. We couple the source spectra and explosion source models with a probabilistic programming framework that integrates deep learning techniques and Bayesian modeling. This approach permits the exchange of information across various data categories to quantify both the data and model uncertainty. This technique stands out as an innovative use of broad‐area propagation models, making it transportable across various geologic settings. This method proves to be effective in scenarios with diverse and/or limited observational data, even when the source depth is unknown. We present new independent estimates of absolute yield and DOB that are consistent with the prior assessments, underscoring the potential of this method in enhancing transportable nuclear explosion monitoring capabilities.

58 GEOSCIENCES↗

Data Integration and Visualization for Enhanced Resilience and Sustainability in Hydropower (DIVERS-H)

U.S. hydropower plants face potential threats from shrinking water supply, rising demands, and warmer stream temperatures from various causes. Power plant owners, operators, and regulators require new tools to take advantage of and interpret the diverse range of scientific data being produced by both observational methods (for example, satellite, radar, stream gauges) and computer modeling methods that evaluate and predict how earth's dynamic systems (atmosphere, oceans, land surface, and sea ice) are changing and interacting. Combining datasets such as these with AI-based analyses introduces a novel decision support system to help users anticipate and address potential impacts on power generation stations. This new technology has been named DIVERS-H for "Data Integration and Visualization for Enhanced Resilience and Sustainability in Hydropower." In Phase I, technical feasibility was established with the development and demonstration of all the new technologies that are required. Most notably, DIVERS-H will use new artificial intelligence (AI) methods to capture the complex dynamics of water availability, demand, and environmental changes. In addition, new data management software was developed, and a prototype user interface was implemented as the precursor to a full scale decision support system. With technical research complete, the project focus now shifts to development of a commercial software product to provide users with actionable insight into water availability and the risk/resilience of critical systems at their locations of interest. Although DIVER-H was originally conceived as a tool for hydroelectric power applications, the same underlying technology can be readily applied to other water-consuming systems including coal, natural gas, oil, and nuclear power plants.

Chaudhary, Aashish [Kitware, Inc., Clifton Park, N↗

Asynchrony among local communities stabilises ecosystem function of metacommunities

Temporal stability of ecosystem functioning increases the predictability and reliability of ecosystem services, and understanding the drivers of stability across spatial scales is important for land management and policy decisions. We used species-level abundance data from 62 plant communities across five continents to assess mechanisms of temporal stability across spatial scales. We assessed how asynchrony (i.e. different units responding dissimilarly through time) of species and local communities stabilised metacommunity ecosystem function. Asynchrony of species increased stability of local communities, and asynchrony among local communities enhanced metacommunity stability by a wide range of magnitudes (1–315%); this range was positively correlated with the size of the metacommunity. Additionally, asynchronous responses among local communities were linked with species’ populations fluctuating asynchronously across space, perhaps stemming from physical and/or competitive differences among local communities. Accordingly, we suggest spatial heterogeneity should be a major focus for maintaining the stability of ecosystem services at larger spatial scales.

59 BASIC BIOLOGICAL SCIENCES↗

To evaluate ERTS-1 data for usefulness as a geological sensor in the diverse geological terranes of New York State

The author has identified the following significant results. In the present imagery, obtained during the full foliage of summer and fall, the greatest amount of spectral geology is displayed in the Adirondack region where bedrock geology is strongly linked to topography. Of the four spectral bands imaged, band 5 and 7 provide the most geological information. The boundary between the basement rocks of the Adirondack Dome and the surrounding Lower Paleozoic rocks is well delineated except in the Northwest Lowlands and along parts of the eastern Adirondacks. Within the basement complex, the most prominently displayed features are numerous north-northeast trending faults and topographic lineaments, and arcuate east-west valleys developed in some of the weaker metasedimentary rocks. The majority of the faults and lineaments shown on the geologic map of New York appear in the ERTS-1 imagery. In addition, many new linears were detected, as well as a number of anomalous curvilinear elements, some circular in plan and measuring up to 25 km in diameter, which do not bear any clear relationship to mapped geological contacts. The possibility that it is an astrobleme will be investigated after snow melts in the spring.

Isachsen, Y. W.↗

To evaluate ERTS-1 data for usefulness as a geological sensor in the diverse geological terraines of New York State

The author has identified the following significant results. Linear anomalies dominate the new geological information derived from ERTS-1 imagery, total lengths now exceeding 6000 kms. Experimentation with a variety of viewing techniques suggests that conventional photogeologic analyses of band 7 results in the location of more than 97 percent of all linears found. Bedrock lithologic types are distinguishable only where they are topographically expressed or govern land use signatures. The maxima on rose diagrams for ERTS-1 anomalies correspond well with those for mapped faults and topographic lineaments, despite a difference in relative magnitudes of maxima thought due to solar illumination direction. A multiscale analysis of linears showed that single topographic linears at 1:2,500,000 became dashed jugate linears at 1:500,000, and shorter linears lacking any conspicuous zonal alignment at 1:250,000. Most circular features found were explained away by U-2 airphoto analysis but several remain as anomalies. Visible glacial features include individual drumlins, best seen in winter imagery, drumlinoids, eskers, ice-marginal drainage channels, glacial lake shorelines and sand plains, and end moraines.

Isachsen, Y. W.↗

Tripal, a community update after 10 years of supporting open source, standards-based genetic, genomic and breeding databases

Abstract Online, open access databases for biological knowledge serve as central repositories for research communities to store, find and analyze integrated, multi-disciplinary datasets. With increasing volumes, complexity and the need to integrate genomic, transcriptomic, metabolomic, proteomic, phenomic and environmental data, community databases face tremendous challenges in ongoing maintenance, expansion and upgrades. A common infrastructure framework using community standards shared by many databases can reduce development burden, provide interoperability, ensure use of common standards and support long-term sustainability. Tripal is a mature, open source platform built to meet this need. With ongoing improvement since its first release in 2009, Tripal provides full functionality for searching, browsing, loading and curating numerous types of data and is a primary technology powering at least 31 publicly available databases spanning plants, animals and human data, primarily storing genomics, genetics and breeding data. Tripal software development is managed by a shared, inclusive governance structure including both project management and advisory teams. Here, we report on the most important and innovative aspects of Tripal after 11 years development, including integration of diverse types of biological data, successful collaborative projects across member databases, and support for implementing FAIR principles.

59 BASIC BIOLOGICAL SCIENCES↗

Globally Gridded Satellite (GridSat) Observations for Climate Studies

Geostationary satellites have provided routine, high temporal resolution Earth observations since the 1970s. Despite the long period of record, use of these data in climate studies has been limited for numerous reasons, among them: there is no central archive of geostationary data for all international satellites, full temporal and spatial resolution data are voluminous, and diverse calibration and navigation formats encumber the uniform processing needed for multi-satellite climate studies. The International Satellite Cloud Climatology Project set the stage for overcoming these issues by archiving a subset of the full resolution geostationary data at approx.10 km resolution at 3 hourly intervals since 1983. Recent efforts at NOAA s National Climatic Data Center to provide convenient access to these data include remapping the data to a standard map projection, recalibrating the data to optimize temporal homogeneity, extending the record of observations back to 1980, and reformatting the data for broad public distribution. The Gridded Satellite (GridSat) dataset includes observations from the visible, infrared window, and infrared water vapor channels. Data are stored in the netCDF format using standards that permit a wide variety of tools and libraries to quickly and easily process the data. A novel data layering approach, together with appropriate satellite and file metadata, allows users to access GridSat data at varying levels of complexity based on their needs. The result is a climate data record already in use by the meteorological community. Examples include reanalysis of tropical cyclones, studies of global precipitation, and detection and tracking of the intertropical convergence zone.

Knapp, Kenneth R.↗

Validation Data for Benchmarking Wire Arc Additive Manufacturing Process Simulations

Residual stresses cause geometric distortion and affect mechanical performance of additively manufactured structures, yet they are notoriously difficult to assess and predict. Distortion (warpage) can drive parts outside dimensional tolerance limits, leading to part rejection or rework. For parts that meet tolerance, locked-in residual stress fields can affect structural integrity during operation, particularly subcritical cracking by fatigue, creep, or corrosion. This work develops benchmark data for a common additive manufacturing process (Wire Arc Additive Manufacturing) that can be applied for calibration and validation of physical process models that predict residual stress fields. The work includes design of two different samples of differing geometry, detailed manufacturing records for a set of physical samples, and an extensive set of residual stress measurement data developed using two diverse techniques (the contour method and neutron diffraction). An initial application of the work is also reported, where a modeling challenge was issued to secure residual stress model predictions from two independent laboratories that were blind to residual stress measurement data. These initial blind residual stress predictions show significant discrepancies relative to the measurement data, illustrating the potential value of the underlying validation data. An open repository for this work, including the sample designs, manufacturing process records, and the residual stress data, is also provided for future application in non-blind validation efforts.

36 MATERIALS SCIENCE↗

Photovoltaic Analysis and Response Support (PARS) Platform for Solar Situational Awareness and Resiliency Services

The project's primary objective is to develop a digital-twin based Photovoltaic (PV) Analysis and Response Support (PARS) platform, which aims to provide real-time situational awareness and optimal response plans. This platform is designed to enhance the performance of hybrid PV systems, making them competitive with or even superior to conventional generation resources. The PARS platform enabled the project team to develop and evaluate an extensive suite of grid support functionalities for the hybrid PV systems to enhance grid performance, across key areas including visibility, dispatchability, security, resilience, and reliability. Given the global push toward achieving 100% clean energy by 2035, there is a significant increase in the integration of inverter-based resources (IBRs) throughout the energy grid. Effectively managing the inherent variability and uncertainty associated with IBRs is crucial for ensuring cost-effectiveness, reliability, and security in both the main grid and islanded microgrids. Constrained to a limited array of IEEE test systems or standard feeder models, traditional IBR modeling struggles to assimilate new field data, accurately reflect system dynamics, and adapt to the evolving energy landscape. In our project, we embraced a Digital Twin (DT) strategy for crafting the PARS platform. A digital twin acts as a precise virtual counterpart of a physical system, built on historical data and continuously honed with real-time insights. This enables the high-fidelity DT to accurately mirror current system operations and forecast future scenarios. Consequently, the PARS platform becomes an ideal environment for testing and refining monitoring, control, power, and energy management algorithms designed to boost hybrid PV system performance. The defining feature of the PARS platform, distinguishing it from other advanced simulation tools, is its exceptional adaptability. This is achieved by employing actual network topologies and utilizing real-time field data for fine-tuning and calibration, ensuring a close emulation of real-world conditions. The project deliverables include: 1) High-fidelity IBR models and tools for real-time parameterization, utilizing real-time field measurements to refine IBR models for enhanced accuracy and performance; 2) Grid-forming and Grid-following capabilities to deliver resilience services, including blackstart, voltage and frequency support, cold-load pick-up, power reserves, and three-phase load balancing across grid-connected and microgrid settings; 3) Machine learning-based forecasting tools and methods for generating synthetic data and topologies, creating diverse and realistic simulation environments for evaluating varied operational scenarios; 4) Advanced microgrid power and energy management algorithms for optimizing the integration and operation of PV, storage, and demand response resources within both feeder and community scales. The power grid data sets are provided by four utility companies in North Carolina and the New York Power Administration. Acting as industry advisors, our industry partners communicated stakeholder needs and regulatory standards to the research teams, aiding technology transfer by incorporating the developed methodologies into their daily operations. This collaboration ensures that the PARS platform, functioning as a power system digital twin, enhances our understanding of IBR dynamic behaviors and enables the development and evaluation of IBR control functions that match or exceed the capabilities of conventional synchronous generators.

14 SOLAR ENERGY↗

RAD-seq genotypes for a Miscanthus sacchariflorus diversity panel

Restriction site-associated DNA sequencing (RAD-seq) data from 643 Miscanthus accessions from a diversity panel, including 613 Miscanthus sacchariflorus, three M. sinensis, and 27 M. xgiganteus. DNA was digested with PstI and MspI, and single-end Illumina sequencing was performed adjacent to the PstI site. Variant and genotype calling was performed with TASSEL-GBSv2, using the Miscanthus sinensis v7.1 reference genome from Phytozome 12 (https://phytozome.jgi.doe.gov). Additional ploidy-aware genotype calling was performed by polyRAD v1.1.

biomass↗

Robust phenotyping strategies for evaluation of stem non-structural carbohydrates (NSC) in rice

Rice plants ( Oryza sativa ) accumulate excess photoassimilates in the form of non-structural carbohydrates (NSCs) in their stems prior to heading that can later be mobilized to supplement photosynthate production during grain-filling. Despite longstanding interest in stem NSC for rice improvement, the dynamics of NSC accumulation, remobilization, and re-accumulation that have genetic potential for optimization have not been systematically investigated. Here we conducted three pilot experiments to lay the groundwork for large-scale diversity studies on rice stem NSC. We assessed the relationship of stem NSC components with 21 agronomic traits in large-scale, tropical yield trials using 33 breeder-nominated lines, established an appropriate experimental design for future genetic studies using a Bayesian framework to sample sub-datasets from highly replicated greenhouse data using 36 genetically diverse genotypes, and used 434 phenotypically divergent rice stem samples to develop two partial least-squares (PLS) models using near-infrared (NIR) spectra for accurate, rapid prediction of rice stem starch, sucrose, and total non-structural carbohydrates. Lastly, we find evidence that stem reserves are most critical for short-duration varieties and suggest that pre-heading stem NSC is worthy of further experimentation for breeding early maturing rice.

59 BASIC BIOLOGICAL SCIENCES↗