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At least 343 records · Page 19

ET-AL: Entropy-targeted active learning for bias mitigation in materials data

Growing materials data and data-driven informatics drastically promote the discovery and design of materials. While there are significant advancements in data-driven models, the quality of data resources is less studied despite its huge impact on model performance. In this work, we focus on data bias arising from uneven coverage of materials families in existing knowledge. Observing different diversities among crystal systems in common materials databases, we propose an information entropy-based metric for measuring this bias. To mitigate the bias, we develop an entropy-targeted active learning (ET-AL) framework, which guides the acquisition of new data to improve the diversity of underrepresented crystal systems. We demonstrate the capability of ET-AL for bias mitigation and the resulting improvement in downstream machine learning models. This approach is broadly applicable to data-driven materials discovery, including autonomous data acquisition and dataset trimming to reduce bias, as well as data-driven informatics in other scientific domains.

36 MATERIALS SCIENCE↗

National and Regional Initiatives to Promote Energy Efficiency and Renewable Energy Through State Energy Offices

The National Association of State Energy Officials (NASEO) worked with the U.S. Department of Energy’s (DOE) Office of Energy Efficiency and Renewable Energy (EERE), Weatherization and Intergovernmental Programs Office (WIP) over a ten year period to provide technical assistance, research and analyses, and enhanced coordination between DOE and the State and Territory Energy Offices. Over the life of the agreement, NASEO worked with WIP and the states to provide statewide strategic energy plan analyses and recommendations, including customized technical assistance to the states; peer to peer financing assistance via NASEO’s Financing Committee and supporting activities; training on core energy policies and programs, including dialogues and resources to support energy-air coordination, a training for new State Energy Office Directors, peer to peer exchange via a rural energy taskforce, and support to states to enhance buildings efficiency, home energy labeling, and technology deployment opportunities; support for State Energy Program metrics; and regional coordination via regional coordinators and peer exchange opportunities both in-person and online. Over the life of the project, the position and role of State Energy Offices within state government has changed, with now 80 percent of State Energy Office Directors serving as their Governor’s energy advisor, or reporting directly to their Governor’s energy advisor. This shift in stature has made it ever more crucial for State Energy Offices to receive timely and relevant technical assistance across a range of energy issue areas. NASEO, in collaboration with WIP, was able to deliver this technical assistance, and energy efficiency and renewable energy deployment has accelerated across the country. The State Energy Office Directors and their staff continue to engage in NASEO’s Committees – many of which were supported through this agreement – and have provided formal and informal feedback on the value of the programs supported through this award (e.g., reporting via survey increased understanding of their roles and technical assistance offerings provided by WIP and NASEO following the New Director Trainings). Moreover, resources developed through this award (e.g., Comprehensive State Energy Planning Guidelines, State Energy Loan Fund Database, Rural Data Resources for State Energy Planning and Programs, The Value of Adding home Energy Score to Low-Income Energy Efficiency Programs, etc.) have been cited by states as instrumental to their understanding of specific energy issue areas and in many cases led directly to enhanced program design within a state (e.g. Iowa citing their review of NASEO’s Comprehensive State Energy Planning Guidelines as a necessary first step in their planning process, later following may of the steps outlined in the guidelines). The priorities of the states and federal government have evolved over the last decade, with an increasing focus on climate mitigation and adaptation, equity impacts and considerations, energy security and resilience, and enhanced energy efficiency and renewable energy technology deployment, but the roots of these new priorities are based in the state and federal policies and programs, and research and analyses, that were supported in part through this award and other complementary initiatives. NASEO looks forward to continuing to support the states, and collaborate and coordinate with DOE, as we build on this important foundation in the years ahead.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Earth: Earth Science and Health

A major new NASA initiative on environmental change and health has been established to promote the application of Earth science remote sensing data, information, observations, and technologies to issues of human health. NASA's Earth Sciences suite of Earth observing instruments are now providing improved observations science, data, and advanced technologies about the Earth's land, atmosphere, and oceans. These new space-based resources are being combined with other agency and university resources, data integration and fusion technologies, geographic information systems (GIS), and the spectrum of tools available from the public health community, making it possible to better understand how the environment and climate are linked to specific diseases, to improve outbreak prediction, and to minimize disease risk. This presentation is an overview of NASA's tools, capabilities, and research advances in this initiative.

Maynard, Nancy G.↗

Equipment Loan (CRADA Final Report)

Site-specific, long-term, continuous, and high-resolution measurements of solar irradiance are important for developing renewable resource data. These data are used for several research and development activities consistent with the NREL mission: establish a national 30-year climatological database of measured solar irradiances; provide high quality ground-truth data for satellite remote sensing validation; support development of radiative transfer models for estimating solar irradiance from available meteorological observations; provide solar resource information needed for technology deployment and operations.

47 OTHER INSTRUMENTATION↗

Accurate Dehydrogenation Enthalpies Dataset for Liquid Organic Hydrogen Carriers

This contribution presents a comprehensive extension of the QM9 dataset (originally at 133 K molecules) with the calculation of G4MP2 enthalpies for 9,841 molecules, featuring up to nine heavy atoms. We present QM9-LOHC, a (de)hydrogenation dataset of 10,373 reactions, including a minimum of 5.5% weight hydrogen storage capacity in line with the Department of Energy standards for Liquid Organic Hydrogen Carriers (LOHC). By utilizing the accurate quantum chemical method G4MP2 we expand the QM9 database and explore new avenues for the exploration of hydrogen storage technologies (electrochemical LOHCs, alkali metal-LOHCs, and mixtures of LOHCs). The QM9-LOHC dataset, with its focus on reactions that vary only by hydrogen saturation levels, provides a needed data resource for advancing the design and optimization of both conventional and innovative LOHC systems, and high-fidelity data for molecular discovery.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

ISA-TAB-Nano: A Specification for Sharing Nanomaterial Research Data in Spreadsheet-based Format

Background and motivation: The high-throughput genomics communities have been successfully using standardized spreadsheet-based formats to capture and share data within labs and among public repositories. The nanomedicine community has yet to adopt similar standards to share the diverse and multi-dimensional types of data (including metadata) pertaining to the description and characterization of nanomaterials. Owing to the lack of standardization in representing and sharing nanomaterial data, most of the data currently shared via publications and data resources are incomplete, poorly-integrated, and not suitable for meaningful interpretation and re-use of the data. Specifically, in its current state, data cannot be effectively utilized for the development of predictive models that will inform the rational design of nanomaterials. Results: We have developed a specification called ISA-TAB-Nano, which comprises four spreadsheet-based file formats for representing and integrating various types of nanomaterial data. Three file formats (Investigation, Study, and Assay files) have been adapted from the established ISA-TAB specification; while the Material file format was developed de novo to more readily describe the complexity of nanomaterials and associated small molecules. In this paper, we have discussed the main features of each file format and how to use them for sharing nanomaterial descriptions and assay metadata. Conclusion: The ISA-TAB-Nano file formats provide a general and flexible framework to record and integrate nanomaterial descriptions, assay data (metadata and endpoint measurements) and protocol information. Like ISA-TAB, ISA-TAB-Nano supports the use of ontology terms to promote standardized descriptions and to facilitate search and integration of the data. The ISA-TAB-Nano specification has been submitted as an ASTM work item to obtain community feedback and to provide a nanotechnology data-sharing standard for public development and adoption.

59 BASIC BIOLOGICAL SCIENCES↗

Powered By reV [Slides]

The reV model empowers users to calculate energy capacity, generation, and cost based on geospatial intersection with grid infrastructure and land-use characteristics. The tool can model a single site up to an entire continent at temporal resolutions ranging from five minutes to hourly, spanning a single year or multiple decades. By automating access to resource data at unprecedented scale, fidelity, and flexibility, the reV model integrates formerly disparate analysis frameworks in the fields of resource modeling, technical potential, and energy cost supply curves.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

The SPASE Data Model: A Metadata Standard for Registering, Finding, Accessing, and Using Heliophysics Data Obtained from Observations and Modeling

The Space Physics Archive Search and Extract Consortium has developed and implemented the SPASE Data Model that provides a common language for registering a wide range of Heliophysics data and other products. The Data Model enables discovery and access tools such that any researcher can obtain data easily, thereby facilitating research, including on space weather. The Data Model includes descriptions of Simulation Models and Numerical Output, pioneered by the Integrated Medium for Planetary Exploration (IMPEx) group in Europe, and subsequently adopted by the Community Coordinated Modeling Center (CCMC). The SPASE group intends to register all relevant Heliophysics data resources, including space-, ground-, and model-based. Substantial progress has been made, especially for space-based observational data and associated observatories, instruments, and display data. Legacy product registrations and access go back more than 50 years. Real-time data will be included. The National Aeronautics and Space Administration (NASA) portion of the SPASE group has funding that assures continuity in the upkeep of the Data Model and aids with adding new products. Tools are being developed for making and editing data descriptions. Digital Object Identifiers (DOIs) for Data Products can now be included in the descriptions. The data access that SPASE facilitates is becoming more uniform, and work is progressing on Web Service access via a standard Application Programming Interface. The SPASE Data Model is stable; changes over the past 9 years were additions of terms and capabilities that are backward compatible. This paper provides a summary of the history, structure, use, and future of the SPASE Data Model.

Roberts, D. Aaron↗

Meeting report: Ocean ‘omics science, technology and cyberinfrastructure: current challenges and future requirements (August 20-23, 2013)

The National Science Foundation’s EarthCube End User Workshop was held at USC Wrigley Marine Science Center on Catalina Island, California in August 2013. The workshop was designed to explore and characterize the needs and tools available to the community that is focusing on microbial and physical oceanography research with a particular emphasis on ‘omic research. The assembled researchers outlined the existing concerns regarding the vast data resources that are being generated, and how we will deal with these resources as their volume and diversity increases. Particular attention was focused on the tools for handling and analyzing the existing data, on the need for the construction and curation of diverse federated databases, as well as development of shared, interoperable, “big-data capable” analytical tools. The key outputs from this workshop include (i) critical scientific challenges and cyber infrastructure constraints, (ii) the current and future ocean ‘omics science grand challenges and questions, and (iii) data management, analytical and associated and cyber-infrastructure capabilities required to meet critical current and future scientific challenges. The main thrust of the meeting and the outcome of this report is a definition of the ‘omics tools, technologies and infrastructures that facilitate continued advance in ocean science biology, marine biogeochemistry, and biological oceanography.

59 BASIC BIOLOGICAL SCIENCES↗

A National Collaboratory to Advance the Science of High Temperature Plasma Physics for Magnetic Fusion

This report summarizes the work of the National Fusion Collaboratory (NFC) Project to develop a persistent infrastructure to enable scientific collaboration for magnetic fusion research. The original objective of the NFC project was to develop and deploy a national FES Grid (FusionGrid) that would be a system for secure sharing of computation, visualization, and data resources over the Internet. The goal of FusionGrid was to allow scientists at remote sites to participate as fully in experiments and computational activities as if they were working on site thereby creating a unified virtual organization of the geographically dispersed U.S. fusion community. The vision for FusionGrid was that experimental and simulation data, computer codes, analysis routines, visualization tools, and remote collaboration tools are to be thought of as network services. In this model, an application service provider (ASP provides and maintains software resources as well as the necessary hardware resources. The project would create a robust, user-friendly collaborative software environment and make it available to the US FES community. This Grid's resources would be protected by a shared security infrastructure including strong authentication to identify users and authorization to allow stakeholders to control their own resources. In this environment, access to services is stressed rather than data or software portability.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

International Soil Carbon Network (ISCN) Database v3-1

The ISCN is an international scientific community devoted to the advancement of soil carbon research. The ISCN manages an open-access, community-driven soil carbon database. This is version 3-1 of the ISCN Database, released in December 2015. It gathers 38 separate dataset contributions, totalling 67,112 sites with data from 71,198 soil profiles and 431,324 soil layers. For more information about the ISCN, its scientific community and resources, data policies and partner networks visit: http://iscn.fluxdata.org/.

Nave, Luke↗

Solar Resource Measurements in Sacramento, California: Cooperative Research and Development Final Report, CRADA Number CRD-06-205

Site-specific, long-term, continuous, and high-resolution measurements of solar irradiance are important for developing renewable resource data. These data are used for several research and development activities consistent with the NREL mission: establish a national 30-year climatological database of measured solar irradiances; provide high quality ground-truth data for satellite remote sensingvalidation; support development of radiative transfer models for estimating solar irradiance from available meteorological observations; provide solar resource information needed for technology deployment and operations.

14 SOLAR ENERGY↗

Solar Resource Measurements in El Paso, Texas (Equipment CRADA Only) (CRADA Final Report)

Site-specific, long-term, continuous, and high-resolution measurements of solar irradiance are important for developing renewable resource data. These data are used for several research and development activities consistent with the NREL mission: establish a national 30-year climatological database of measured solar irradiances; provide high quality ground-truth data for satellite remote sensing validation; support development of radiative transfer models for estimating solar irradiance from available meteorological observations; provide solar resource information needed for technology deployment and operations.

14 SOLAR ENERGY↗

Solar Resource Measurements at FPL Energy - Equipment Only. Cooperative Research and Development Final Report, CRADA Number CRD-08-283

Site-specific, long-term, continuous, and high-resolution measurements of solar irradiance are important for developing renewable resource data. These data are used for several research and development activities consistent with the NREL mission: Establish a national 30-year climatological database of measured solar irradiances; Provide high quality ground-truth data for satellite remote sensing validation; Support development of radiative transfer models for estimating solar irradiance from available meteorological observations; Provide solar resource information needed for technology deployment and operations.

14 SOLAR ENERGY↗

The NBS data management technology program

The National Bureau of Standards (NBS) Data Management Technology Program is discussed. The NBS Data Management Technology Program addresses major problems encountered during the following stages of an application's lifetime: requirements analysis and data base design, system selection and implementation, operations management and conversion. Products developed include standard software specifications, guides to best practice, standard data elements and representations, and reports documenting the experiences of other organizations as they attempt to improve the management of their computing resources. Data base Laboratory facilities are maintained for the investigation and analysis of state of the art data base technology. These facilities support collaborative testing with researchers, vendors, users, and standards developers.

Wood, H. M.↗

The National Solar Radiation Database (NSRDB) Fiscal Years 2019-2021(Final Report)

The National Solar Radiation Database (NSRDB) is the leading public source of high-resolution solar resource data in the United States, with more than 166,000 users annually. This database represents the state of the art in satellite-based estimation of solar resource information and uses a unique physics-based modeling approach that enables improvements in accuracy with the deployment of the next-generation geostationary satellites. Making the highest quality, state-of-the-art, regularly updated data sets available on a timely basis for users reduces costs of solar deployment by providing accurate information for siting studies and system output prediction, and thereby reduces levelized cost of energy. Also, high-resolution information from the NSRDB enables moving beyond levelized cost of energy when valuing the impact of renewables on the grid. Additionally, the NSRDB enables the integration of large amounts of solar on the grid by providing critical information about solar availability and variability that is used to enhance grid reliability and power quality.

14 SOLAR ENERGY↗

The use of Earth Resources Technology Satellite for relaying hydrologic data in the Delaware River basin

The earth resources data acquisition systems on ERTS are providing data from the earth's surface that have great potential for resources management. The Data Collection System is providing water resources data several times a day from widely scattered locations in the Delaware River Basin. Within the constraints of an experimental test, the data are being processed and released to water resources agencies in near-real time. The results of ERTS investigations have shown that there is a potential application for satellite-borne systems for earth resources data acquisition. It is becoming clear that the solutions to many natural resource problems can be found faster and more efficiently with the help of data acquisition systems such as those on the ERTS observatory. Under operational conditions, low cost battery-operated DCP's could provide the Geological Survey with data from a large number of field instruments. These data could be used by the Geological Survey to monitor the operational status of field instrumentation and could be used by cooperating agencies to monitor a wide range of earth resources conditions. Under operational conditions, the data flow could be in real time. The delay from time of data acquisition by ERTS to the time of data availability to data users could be reduced to seconds, rather than the present lag time of a few hours.

Paulson, R. W.↗