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At least 1,387 records · Page 77

Web-Based Software for Managing Research

aeroCOMPASS is a software system, originally designed to aid in the management of wind tunnels at Langley Research Center, that could be adapted to provide similar aid to other enterprises in which research is performed in common laboratory facilities by users who may be geographically dispersed. Included in aeroCOMPASS is Web-interface software that provides a single, convenient portal to a set of project- and test-related software tools and other application programs. The heart of aeroCOMPASS is a user-oriented document-management software subsystem that enables geographically dispersed users to easily share and manage a variety of documents. A principle of "write once, read many" is implemented throughout aeroCOMPASS to eliminate the need for multiple entry of the same information. The Web framework of aeroCOMPASS provides links to client-side application programs that are fully integrated with databases and server-side application programs. Other subsystems of aeroCOMPASS include ones for reserving hardware, tracking of requests and feedback from users, generating interactive notes, administration of a customer-satisfaction questionnaire, managing execution of tests, managing archives of metadata about tests, planning tests, and providing online help and instruction for users.

Computer software and hardware↗

NASA GES DISC's Customized Services for Climatology and Meteorology

At the NASA Goddard Earth Sciences (GES) Data and Information Service Center (DISC), we have archived and distributed more than 2,400 Earth science data products, from different missions or projects containing more than 100 M data files/granules with a total volume size nearly 2 PB that broadly serve user needs in science areas such as Atmospheric Composition, Water & Energy Cycles and Climate Variability. To date, GES DISC has developed many pertinent services to facilitate the usage of data products by our research communities, represented by approximately 24,000 registered users. We are facing the big data with increasingly archival volume and data types, moreover, we also encounter increasing users' demands and the demands are more diversified. It is still a challenge for us to better understand exactly what our users' needs are, even after developing more than 70 services, including well-known online tools such as Giovanni and MERRA subsetter. In this presentation, we will try to address how we can accommodate the users' needs from two applicational user communities, Air Quality and Wind Energy, from data or service discovery to guide them properly utilize the data and services to fit their needs.

customizable services for climate and meteorology↗

Incorporating User Preferences Within an Optimal Traffic Flow Management Framework

The effectiveness of future decision support tools for Traffic Flow Management in the National Airspace System will depend on two major factors: computational burden and collaboration. Previous research has focused separately on these two aspects without consideration of their interaction. In this paper, their explicit combination is examined. It is shown that when user preferences are incorporated with an optimal approach to scheduling, runtime is not adversely affected. A benefit-cost ratio is used to measure the influence of user preferences on an optimal solution. This metric shows user preferences can be accommodated without inordinately, negatively affecting the overall system delay. Specifically, incorporating user preferences will increase delays proportionally to increased user satisfaction.

Rios, Joseph Lucio↗

ORCHA: A performance portability system for extreme heterogeneity

Heterogeneity is the prevalent trend in the rapidly evolving high-performance computing (HPC) landscape in both hardware and application software. The diversity in hardware platforms, currently comprising various accelerators and a future possibility of specializable chiplets, poses a significant challenge for scientific software developers aiming to harness optimal performance across different computing platforms while maintaining the quality of solutions when their applications are simultaneously growing more complex. Code synthesis and code generation can provide mechanisms to mitigate this challenge. We have developed a divide and conquer approach where different aspects of performance are handled by different stand-alone tools that are interfaced with the application through generated code. This portability system, ORCHA, enables users to configure and orchestrate their computations among available resources on a platform by specifying a high-level recipe, thereby permitting a many-to-many paradigm where each recipe results in a different variant of the application. The core design goal is to let users decide the application’s hardware mapping and orchestration by editing only the high-level recipe—without modifying the maintained source code or binding the application to a particular runtime system. Tools in ORCHA distribution are: CG-Kit for translating the recipe into an execution graph; Milhoja to execute the graph by orchestrating data and task movement among hardware resources; and Macroprocessor that enables users to define their own code-shorthand for higher composability and easier management of code variants. Additionally, the design of ORCHA permits tools to work in a plug-and-play mode where the application can build and run without CG-Kit and Milhoja, and either tool can be swapped out for other tools with similar capabilities by modifying the code generation portion of ORCHA. In this paper, we describe the design of ORCHA and the role that code-generation plays in isolating applications from tools. We demonstrate the breadth of configurations ORCHA enables with a case study in which an application configuration is realized on three distinct hardware mappings—a GPU-centric, a CPU/GPU balanced, and a CPU/GPU concurrent layouts by using different recipes.

Lee, Youngjun↗

Phenopacket-tools: Building and validating GA4GH Phenopackets

The Global Alliance for Genomics and Health (GA4GH) is a standards-setting organization that is developing a suite of coordinated standards for genomics. The GA4GH Phenopacket Schema is a standard for sharing disease and phenotype information that characterizes an individual person or biosample. The Phenopacket Schema is flexible and can represent clinical data for any kind of human disease including rare disease, complex disease, and cancer. It also allows consortia or databases to apply additional constraints to ensure uniform data collection for specific goals. We present phenopacket-tools, an open-source Java library and command-line application for construction, conversion, and validation of phenopackets. Phenopacket-tools simplifies construction of phenopackets by providing concise builders, programmatic shortcuts, and predefined building blocks (ontology classes) for concepts such as anatomical organs, age of onset, biospecimen type, and clinical modifiers. Phenopacket-tools can be used to validate the syntax and semantics of phenopackets as well as to assess adherence to additional user-defined requirements. The documentation includes examples showing how to use the Java library and the command-line tool to create and validate phenopackets. We demonstrate how to create, convert, and validate phenopackets using the library or the command-line application. Source code, API documentation, comprehensive user guide and a tutorial can be found at https://github.com/phenopackets/phenopacket-tools. The library can be installed from the public Maven Central artifact repository and the application is available as a standalone archive. The phenopacket-tools library helps developers implement and standardize the collection and exchange of phenotypic and other clinical data for use in phenotype-driven genomic diagnostics, translational research, and precision medicine applications.

59 BASIC BIOLOGICAL SCIENCES↗

Simulation Process Automation for Window Attachments Rating

WINDOW (LBNL 2022) and AERCalc (LBNL 2018) software developed by Lawrence Berkely National Laboratory are needed for running the tool. The database that in installed along with WINDOW software is utilized and modified to develop database for AERCalc simulation in generic case. However, any other custom WINDOW database created by users can be utilized as well. Another requirement for use of the tool is the availability of the shading fabric in the complex glazing database (CGDB). The CGDB id of the fabric was used for database generation discussed in next section.

97 MATHEMATICS AND COMPUTING↗

WISE: Automated support for software project management and measurement

One important aspect of software development and IV&V is measurement. Unless a software development effort is measured in some way, it is difficult to judge the effectiveness of current efforts and predict future performances. Collection of metrics and adherence to a process are difficult tasks in a software project. Change activity is a powerful indicator of project status. Automated systems that can handle change requests, issues, and other process documents provide an excellent platform for tracking the status of the project. A World Wide Web based architecture is developed for (a) making metrics collection an implicit part of the software process, (b) providing metric analysis dynamically, (c) supporting automated tools that can complement current practices of in-process improvement, and (d) overcoming geographical barrier. An operational system (WISE) instantiates this architecture allowing for the improvement of software process in a realistic environment. The tool tracks issues in software development process, provides informal communication between the users with different roles, supports to-do lists (TDL), and helps in software process improvement. WISE minimizes the time devoted to metrics collection, analysis, and captures software change data. Automated tools like WISE focus on understanding and managing the software process. The goal is improvement through measurement.

Ramakrishnan, Sudhakar↗

Real Time Metrics and Analysis of Integrated Arrival, Departure, and Surface Operations

A real time dashboard was developed in order to inform and present users notifications and integrated information regarding airport surface operations. The dashboard is a supplement to capabilities and tools that incorporate arrival, departure, and surface air-traffic operations concepts in a NextGen environment. As trajectory-based departure scheduling and collaborative decision making tools are introduced in order to reduce delays and uncertainties in taxi and climb operations across the National Airspace System, users across a number of roles benefit from a real time system that enables common situational awareness. In addition to shared situational awareness the dashboard offers the ability to compute real time metrics and analysis to inform users about capacity, predictability, and efficiency of the system as a whole. This paper describes the architecture of the real time dashboard as well as an initial set of metrics computed on operational data. The potential impact of the real time dashboard is studied at the site identified for initial deployment and demonstration in 2017; Charlotte-Douglas International Airport. Analysis and metrics computed in real time illustrate the opportunity to provide common situational awareness and inform users of metrics across delay, throughput, taxi time, and airport capacity. In addition, common awareness of delays and the impact of takeoff and departure restrictions stemming from traffic flow management initiatives are explored. The potential of the real time tool to inform the predictability and efficiency of using a trajectory-based departure scheduling system is also discussed.

integrated arrival departure surface operations↗

ESnet Requirements Review Program Through the IRI Lens: A Meta-Analysis of Workflow Patterns Across DOE Office of Science Programs (Final Report)

The Department of Energy (DOE) ensures America’s security and prosperity by addressing its energy, environmental, and nuclear challenges through transformative science and technology solutions. The DOE’s Office of Science (SC) delivers groundbreaking scientific discoveries and major scientific tools that transform our understanding of nature and advance the energy, economic, and national security of the United States. The SC’s programs advance DOE mission science across a wide range of disciplines and have developed the research infrastructure needed to remain at the forefront of scientific discovery. The DOE SC’s world-class research infrastructure — exemplified by the 28 SC scientific user facilities — provides the research community with premier observational, experimental, computational, and network capabilities. Each user facility is designed to provide unique capabilities to advance core DOE mission science for its sponsor SC program and to stimulate a rich discovery and innovation ecosystem. Research communities gather and flourish around each user facility, bringing together diverse perspectives. A hallmark of many facilities is the large population of students, postdoctoral researchers, and early-career scientists who contribute as full-fledged users. These facility staff and users collaborate over years to devise new approaches to utilizing the user facility’s core capabilities. The history of the SC user facilities has many examples of wildly inventive researchers challenging operational orthodoxy to pioneer new vistas of discovery; for example, the use of the synchrotron X-ray light sources for study of proteins and other large biological molecules. This continual reinvention of the practice of science — as users and staff forge novel approaches expressed in research workflows — unlocks new discoveries and propels scientific progress. Within this research ecosystem, the high-performance computing (HPC) and networking user facilities stewarded by SC’s Advanced Scientific Computing Research (ASCR) program play a dynamic cross-cutting role, enabling complex workflows demanding high performance data, networking, and computing solutions. The DOE SC’s three HPC user facilities and the Energy Sciences Network (ESnet) high-performance research network serve all of the SC’s programs as well as the global research community. Argonne Leadership Computing Facility (ALCF), the National Energy Research Scientific Computing Center (NERSC), and Oak Ridge Leadership Computing Facility (OLCF) conceive, build, and provide access to a range of supercomputing, advanced computing, and large-scale data-infrastructure platforms, while ESnet interconnects DOE SC research infrastructure and enables seamless exchange of scientific data. All four facilities operate testbeds to expand the frontiers of computing and networking research. Together, the ASCR facilities enterprise seeks to understand and meet the needs and requirements across SC and DOE domain science programs and priority efforts, highlighted by the formal requirements reviews (RRs) methodology. In recent years, the research communities around the SC user facilities have begun experimenting with and demanding solutions integrated with HPC and data infrastructure. This rise of integrated-science approaches is documented in many community and high-level government reports. At the dawn of the era of exascale science and the acceleration of artificial intelligence (AI) innovation, there is a broad need for integrated computational, data, and networking solutions. In response to these drivers, DOE has developed a vision for an Integrated Research Infrastructure (IRI): To empower researchers to meld DOE’s world-class research tools, infrastructure, and user facilities seamlessly and securely in novel ways to radically accelerate discovery and innovation.

42 ENGINEERING↗

FuSED Users Manual, 5.24

The Fusion of Simulation, Experiment, and Data (FuSED) team provides a set of tools for solving inverse problems in structural dynamics and thermal physics, and also sensor placement optimization via Optimal Experimental Design (OED). These methods are used for designing experiments, model calibration, and verification/validation analysis of systems. This document provides a user’s guide to the input for the three apps that are supported for these methods. Details of input specifications, output options, and optimization parameters are included.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Combined Global Navigation Satellite Systems in the Space Service Volume

Besides providing position, navigation, and timing (PNT) services to traditional terrestrial and airborne users, GPS is also being increasingly used as a tool to enable precision orbit determination, precise time synchronization, real-time spacecraft navigation, and three-axis attitude control of Earth orbiting satellites. With additional Global Navigation Satellite System (GNSS) constellations being replenished and coming into service (GLONASS, Beidou, and Galileo), it will become possible to benefit from greater signal availability and robustness by using evolving multi-constellation receivers. The paper, "GPS in the Space Service Volume," presented at the ION GNSS 19th International Technical Meeting in 2006 (Ref. 1), defined the Space Service Volume, and analyzed the performance of GPS out to seventy thousand kilometers. This paper will report a similar analysis of the signal coverage of GPS in the space domain; however, the analyses will also consider signal coverage from each of the additional GNSS constellations noted earlier to specifically demonstrate the expected benefits to be derived from using GPS in conjunction with other foreign systems. The Space Service Volume is formally defined as the volume of space between three thousand kilometers altitude and geosynchronous altitude circa 36,000 km, as compared with the Terrestrial Service Volume between 3,000 km and the surface of the Earth. In the Terrestrial Service Volume, GNSS performance is the same as on or near the Earth's surface due to satellite vehicle availability and geometry similarities. The core GPS system has thereby established signal requirements for the Space Service Volume as part of technical Capability Development Documentation (CDD) that specifies system performance. Besides the technical discussion, we also present diplomatic efforts to extend the GPS Space Service Volume concept to other PNT service providers in an effort to assure that all space users will benefit from the enhanced interoperability of GNSS services in the space domain. A separate paper presented at the conference covers the individual GNSS performance parameters for respective Space Service Volumes.

navigation satellites↗

Hydrogenerate: Open Source Python Tool To Estimate Hydropower Generation Time-series

Hydropower is one of the most mature forms of renewable energy generation. The United States (US) has almost 103 GW of installed, with 80 GW of conventional generation and 23 GW of pumped hydropower [1]. Moreover, the potential for future development on Non-Powered Dams is up to 10 GW. With the US setting its goals to become carbon neutral [2], more renewable energy in the form of hydropower needs to be integrated with the grid. Currently, there are no publicly available tool that can estimate the hydropower potential for existing hydropower dams or other non-powered dams. The HydroGenerate is an open-source python library that has the capability of estimating hydropower generation based on flow rate either provided by the user or received from United States Geological Survey (USGS) water data services. The tool calculates the efficiency as a function of flow based on the turbine type either selected by the user or estimated based on the “head” provided by the user.

Mitra, Bhaskar↗

Ground-based Automated Scheduling for Operations of the Mars 2020 Rover Mission

The National Aeronautics and Space Administration’s (NASA) Mars 2020 Rover, named Perseverance, landed on the surface of Mars in Jezero Crater on February 18, 2021. Since the landing, the rover’s activities have been planned with the aid of a ground-based automated scheduling system called Copilot. Automated scheduling is very rare for planetary rover missions. Historically humans have created a schedule manually and ensured that the schedule satisfied all constraints. Higher levels of automation in the system allows science planners to produce schedules for the rover more quickly. In addition to scheduling user-provided activities, Copilot generates and schedules two types of support activities: sleep activities and heating activities. Some activities require the CPU to be on as they execute, so Copilot schedules wakeups and shutdowns of the CPU at the appropriate times. Some activities require areas of the rover to be heated before they can execute, and that heating must be maintained throughout the duration of the activity. Copilot schedules the preheat and maintenance heating activities for the user-provided activities that require them. To facilitate Copilot usage, the Crosscheck tool shows the science planners how Copilot constructed a schedule. For activities that fail to be scheduled, Crosscheck gives information on the constraints that the activity would have violated. This gives the users insight into how to change the input activities and constraints in order to achieve a schedule that satisfies their goals.

Towey, Shannon↗

Satellite Proving Ground for the GOES-R Geostationary Lightning Mapper (GLM)

The key mission of the Satellite Proving Ground is to demonstrate new satellite observing data, products and capabilities in the operational environment to be ready on Day 1 to use the GOES-R suite of measurements. Algorithms, tools, and techniques must be tested, validated, and assessed by end users for their utility before they are finalized and incorporated into forecast operations. The GOES-R Proving Ground for the Geostationary Lightning Mapper (GLM) focuses on evaluating how the infusion of the new technology, algorithms, decision aids, or tailored products integrate with other available tools (weather radar and ground strike networks; nowcasting systems, mesoscale analysis, and numerical weather prediction models) in the hands of the forecaster responsible for issuing forecasts and warning products. Additionally, the testing concept fosters operation and development staff interactions which will improve training materials and support documentation development. Real-time proxy total lightning data from regional VHF lightning mapping arrays (LMA) in Northern Alabama, Central Oklahoma, Cape Canaveral Florida, and the Washington, DC Greater Metropolitan Area are the cornerstone for the GLM Proving Ground. The proxy data will simulate the 8 km Event, Group and Flash data that will be generated by GLM. Tailored products such as total flash density at 1-2 minute intervals will be provided for display in AWIPS-2 to select NWS forecast offices and national centers such as the Storm Prediction Center. Additional temporal / spatial combinations are being investigated in coordination with operational needs and case-study proxy data and prototype visualizations may also be generated from the NASA heritage Lightning Imaging Sensor and Optical Transient Detector data. End users will provide feedback on the utility of products in their operational environment, identify use cases and spatial/temporal scales of interest, and provide feedback to the developers for adjusted or new products.

Goodman, Steven J.↗

Outlook for artificial intelligence and machine learning at the NSLS-II

Abstract We describe the current and future plans for using artificial intelligence and machine learning (AI/ML) methods at the National Synchrotron Light Source II (NSLS-II), a scientific user facility at the Brookhaven National Laboratory. We discuss the opportunity for using the AI/ML tools and techniques developed in the data and computational science areas to greatly improve the scientific output of large scale experimental user facilities. We describe our current and future plans in areas including from detecting and recovering from faults, optimizing the source and instrument configurations, streamlining the pipeline from measurement to insight, through data acquisition, processing, analysis. The overall strategy and direction of the NSLS-II facility in relation to AI/ML is presented.

97 MATHEMATICS AND COMPUTING↗

Datum: A Scientific Metadata Catalog

The data catalog market is currently flooded with a myriad of different products, but none serve the scientific community well. There are cloud-native tools like Databricks, Snowflake,to on-premise solutions like Collibra and Datahub. The common failing of all these tools however, is their inability to serve the scientific data community directly. Most catalogs are targeted towards financial, health, or user data - not sensor or scientific domain data. They also prioritize integrations that often don’t exist or are just starting to be used in the scientific realm - all while ignoring common scientific tools and file types. Datum is a catalog which targets the scientific data directly, including the tools and networks in which those tools are used. We work with the producers and consumers of the data where they are, targeting cloud and on-premise with a focus on classified networks. Datum is an Erlang/Elixir application. Technical Features Note: The features listed below are still under development and may change, slightly, upon final delivery of the product. File Formats - Datum has the ability to read additional metadata and provides processing pipelines for the following file formats: Plain Text, PDF, LaTeX, HTML, Open Document Format (.odt), XML, CSV/TSV (and other standard delimiters), OpenDocument Database and Spreadsheets, Geo-Referenced TIFF, Common Data Format, HDF/HDF5, LabView TDMS, Excel, DeltaTables, Parquet, Apache Iceberg, Apache Hudi and many others. Metadata Collection - Scanners for the local and networked file systems and cloud storage providers. Network integration with common databases such as MSSQL and MySQL. User Plugin System - Users are able to provide either file processing, metadata extraction, or sampling plugins in the programming language of their choice. Authentication/Authorization -: OIDC integration, SCIM provisioning and EntraID integration out of the box. Full user and group management system with a “least privilege” operating mode. Governance - Customizable data governance platform; dictate and enforce required metadata, enforce data embargos, and enforce user agreements and NDAs before data access. Ability to create health checks on data, rejecting abandoned or poorly curated data and automatically removing it from the search index. Ability for users to submit corrections. Search - Semantic search is a first class citizen. No licenses to expensive, external software required. Integrated use of vectors and vector-based search allows for AI agent integration at all levels of operation. Metadata Model - Display and control data’s lineage and connections to other data and data directories. Data is modeled after a filesystem - an organization instantly recognizable and navigable by most any user. CLI and SDK - Ships with a Command Line Interface (CLI) tool and with a fully-featured Python SDK. This allows for rapid and programmatic use of Datum by every level of user. Minimal Infrastructure - Datum ships as a single executable file and can be run on any operating system and most CPU architectures. Datum has no reliance on external databases, search indexing tools, or other outside services - and it runs equally well on edge computing devices, cloud services, or in a clustered HPC environment.

darrington, john↗

Computationally evaluating high-yield metabolites for sustainable aviation fuel (SAF) using machine learning

The computational tool described in this report helps identify promising biological pathways that produce SAF platform molecules (either a drop-in SAF, or a precursor that can be easily converted to a drop-in SAF). The workflow the computational tool follows first identifies possible biological pathways from a user-defined metabolite. These pathways may, or may not lead to a SAF platform molecule, thus the second step involves insilico testing of the end product of each pathway to assess whether it is, or is not, a SAF platform molecule. The identification of biological pathways performed in the first step is facilitated by linking the metabolite to a biological reaction database. Pathways are found by identifying pathways in the reaction database that include the metabolite. The computational tool includes an alternative way to find pathways. The alternative way develops a Flux Balanced Analysis (FBA), and modifying the FBA to include reactions that transform the metabolite. These modifications serve as a basis for understanding, in a semi-quantitative way, if there is an increase in the flux to desirable products. The second step, in silico testing of the end-products, is accomplished by estimating key physical properties relevant to SAF. When good models are available, we have integrated those models into the computational tool. In a few instances, we have developed our own models. In all instances, we have validated the models against available measured data. Finally, we have evaluated the effectiveness of our computational tool by genetically engineering Rhodosporidium toruloides. Validation occurred without the use of a FBA, and further validation is required.

09 BIOMASS FUELS↗

The FORTRAN static source code analyzer program (SAP) user's guide, revision 1

The FORTRAN Static Source Code Analyzer Program (SAP) User's Guide (Revision 1) is presented. SAP is a software tool designed to assist Software Engineering Laboratory (SEL) personnel in conducting studies of FORTRAN programs. SAP scans FORTRAN source code and produces reports that present statistics and measures of statements and structures that make up a module. This document is a revision of the previous SAP user's guide, Computer Sciences Corporation document CSC/TM-78/6045. SAP Revision 1 is the result of program modifications to provide several new reports, additional complexity analysis, and recognition of all statements described in the FORTRAN 77 standard. This document provides instructions for operating SAP and contains information useful in interpreting SAP output.

Decker, W.↗