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At least 631 records · Page 35

Argonne Leadership Computing Facility: 2021 Operational Assessment Report

This Operational Assessment Report describes how the Argonne Leadership Computing Facility (ALCF) met or exceeded every one of its goals for calendar year (CY) 2021 as an advanced scientific computing center. In CY 2021, the ALCF operated its production resource, Theta, an Intel-based Cray XC40 system (11.7-petaflops) augmented with 24 NVIDIA DGX A100-based nodes (3.9-petaflops) that supports diverse workloads, integrating data analytics with artificial intelligence (AI) training and learning in a single platform. In 2021, we began deploying Polaris, our newest 40- petaflops system, and augmented this powerful testbed system with an additional 28 nodes to support the integration of real-time experiments and HPC resources. We also deployed our two largest storage systems yet, named Grand and Eagle, that will bring new services to our users and will power data-driven research for years to come. Last year, Theta delivered a total of 20.8 million node-hours to 16 Innovative and Novel Computational Impact on Theory and Experiment (INCITE) projects and 7.2 million node-hours to ASCR Leadership Computing Challenge (ALCC) projects (32 awarded during the 2020–2021 ALCC year and 17 awarded during the 2021–2022 ALCC year), as well as substantial support to Director’s Discretionary (DD) projects (5.5 million node-hours). As Table ES.1 shows, Theta performed exceptionally well in terms of overall availability (95.1 percent), scheduled availability (99.4 percent), and utilization (98.1 percent; Table 2.1). As of the submission date of this document, ALCF’s user community has published 249 papers in high-quality, peer-reviewed journals and technical proceedings. At the 2021 International Conference for High Performance Computing, Networking, Storage and Analysis (SC’21), Argonne researchers won two HPCwire Readers’ Choice Awards and were part of a Gordon Bell Prize finalist team recognized for developing an AI-enabled, multi-resolution simulation framework for studying complex biomolecular machines. Their framework was used to observe the SARS-CoV-2 replication-transcription machinery in action, by directly integrating experimental data. ALCF also provided a comprehensive program of high-performance computing (HPC) support services to help our community make productive use of the facility’s diverse and growing collection of resources. We are now entering the exascale era, with exascale machines being planned for national laboratories across the country, including Aurora at Argonne National Laboratory (Argonne) in 2023. ALCF researchers have been leading and guiding numerous strategic activities that will push the boundaries of what’s possible in computational science and engineering and allow us to deliver science on day one.

97 MATHEMATICS AND COMPUTING↗

Lean Middleware

This paper describes an approach to achieving data integration across multiple sources in an enterprise, in a manner that is cost efficient and economically scalable. We present an approach that does not rely on major investment in structured, heavy-weight database systems for data storage or heavy-weight middleware responsible for integrated access. The approach is centered around pushing any required data structure and semantics functionality (schema) to application clients, as well as pushing integration specification and functionality to clients where integration can be performed on-the-fly .

Maluf, David A.↗

Regulation of amino-acid metabolism controls flux to lipid accumulation in Yarrowia lipolytica

Yarrowia lipolytica is a promising microbial cell factory for the production of lipids to be used as fuels and chemicals, but there are few studies on regulation of its metabolism. Here we performed the first integrated data analysis of Y. lipolytica grown in carbon and nitrogen limited chemostat cultures. We first reconstructed a genome-scale metabolic model and used this for integrative analysis of multilevel omics data. Metabolite profiling and lipidomics was used to quantify the cellular physiology, while regulatory changes were measured using RNAseq. Analysis of the data showed that lipid accumulation in Y. lipolytica does not involve transcriptional regulation of lipid metabolism but is associated with regulation of amino-acid biosynthesis, resulting in redirection of carbon flux during nitrogen limitation from amino acids to lipids. Lipid accumulation in Y. lipolytica at nitrogen limitation is similar to the overflow metabolism observed in many other microorganisms, e.g. ethanol production by Sacchromyces cerevisiae at nitrogen limitation.

59 BASIC BIOLOGICAL SCIENCES↗

Multi-Sensor Aerosol Products Sampling System

Global and local properties of atmospheric aerosols have been extensively observed and measured using both spaceborne and ground-based instruments, especially during the last decade. Unique properties retrieved by the different instruments contribute to an unprecedented availability of the most complete set of complimentary aerosol measurements ever acquired. However, some of these measurements remain underutilized, largely due to the complexities involved in analyzing them synergistically. To characterize the inconsistencies and bridge the gap that exists between the sensors, we have established a Multi-sensor Aerosol Products Sampling System (MAPSS), which consistently samples and generates the spatial statistics (mean, standard deviation, direction and rate of spatial variation, and spatial correlation coefficient) of aerosol products from multiple spacebome sensors, including MODIS (on Terra and Aqua), MISR, OMI, POLDER, CALIOP, and SeaWiFS. Samples of satellite aerosol products are extracted over Aerosol Robotic Network (AERONET) locations as well as over other locations of interest such as those with available ground-based aerosol observations. In this way, MAPSS enables a direct cross-characterization and data integration between Level-2 aerosol observations from multiple sensors. In addition, the available well-characterized co-located ground-based data provides the basis for the integrated validation of these products. This paper explains the sampling methodology and concepts used in MAPSS, and demonstrates specific examples of using MAPSS for an integrated analysis of multiple aerosol products.

Petrenko, M.↗

Explicitly representing soil microbial processes in Earth system models: Soil microbes in earth system models

Microbes influence soil organic matter (SOM) decomposition and the long-term stabilization of carbon (C) in soils. Herein, we contend that by revising the representation of microbial processes and their interactions with the physicochemical soil environment, Earth system models (ESMs) may make more realistic global C cycle projections. Explicit representation of microbial processes presents considerable challenges due to the scale at which these processes occur. Thus, applying microbial theory in ESMs requires a framework to link micro-scale process-level understanding and measurements to macro-scale models used to make decadal- to century-long projections. Here, we review the diversity, advantages, and pitfalls of simulating soil biogeochemical cycles using microbial-explicit modeling approaches. We present a roadmap for how to begin building, applying, and evaluating reliable microbial-explicit model formulations that can be applied in ESMs. Drawing from experience with traditional decomposition models we suggest: (1) guidelines for common model parameters and output that can facilitate future model intercomparisons; (2) development of benchmarking and model-data integration frameworks that can be used to effectively guide, inform, and evaluate model parameterizations with data from well-curated repositories; and (3) the application of scaling methods to integrate microbial-explicit soil biogeochemistry modules within ESMs. With contributions across scientific disciplines, we feel this roadmap can advance our fundamental understanding of soil biogeochemical dynamics and more realistically project likely soil C response to environmental change at global scales.

59 BASIC BIOLOGICAL SCIENCES↗

Descriptor: High Temporal Resolution Meteorological Data at Oak Ridge Reservation (ORR-HiResMet)

Access to continuous, quality assessed meteorological data is critical for understanding the climatology and atmospheric dynamics of a region. Research facilities like Oak Ridge National Laboratory (ORNL) rely on such data to assess site-specific climatology, model potential emissions, establish safety baselines, and prepare for emergency scenarios. To meet these needs, on-site towers at ORNL collect meteorological data at 15-minute and hourly intervals. However, data measurements from meteorological towers are affected by sensor sensitivity, degradation, lightning strikes, power fluctuations, glitching, and sensor failures, all of which can affect data quality. To address these challenges, we conducted a comprehensive quality assessment and processing of five years of meteorological data collected from ORNL at 15-minute intervals, including measurements of temperature, pressure, humidity, wind, and solar radiation. The time series of each variable was pre-processed and gap-filled using established meteorological data collection and cleaning techniques, i.e., the time series were subjected to structural standardization, data integrity testing, automated and manual outlier detection, and gap-filling. The data product and highly generalizable processing workflow developed in Python Jupyter notebooks are publicly accessible online. As a key contribution of this study, the evaluated 5-year data will be used to train atmospheric dispersion models that simulate dispersion dynamics across the complex ridge-and-valley topography of the Oak Ridge Reservation in East Tennessee.

Steckler, Morgan R. [Oak Ridge National Laboratory↗

OSCAR-Mike: Why not ATAK?

The Office of Nuclear Smuggling Detection and Deterrence (NSDD) is evaluating methods to increase the probability that international partners will detect radioactive materials. One proposed method to accomplish this goal is to improve communications within teams operating in challenging environments. The goal of these improvements would be to enable remote monitoring of detection equipment, share data among end users in the field and subject matter experts, and integrate data from radiation detectors with other types of sensors and camera systems. Accomplishing this goal has the potential to improve the capabilities of currently deployed NSDD equipment. During FY 2021, Oak Ridge National Laboratory demonstrated some core and expanded capabilities of the Android Team Awareness Kit (ATAK), a situational awareness application developed by the US Department of Defense, to enable precision targeting, navigation, and data sharing. During FY 2022, Oak Ridge National Laboratory developed software requirements for an NSDD team awareness kit–based system. The requirements were developed by liaising with NSDD management and subject matter experts to determine NSDD’s needs and by reviewing available software and hardware solutions with US Department of Defense team awareness kit program managers and developers and radiation detection equipment vendors.

97 MATHEMATICS AND COMPUTING↗

Miniaturized physiological data telemetry system

Portable digital physiological data telemetry system uses less power, is more compact, and provides better data integrity than two previous systems designed to similar specifications. It has 13 data channels and two-way voice communication.

Portnoy, W. M.↗

Global Scale Diagnosis of FGGE Data

The objective was to perform descriptive global-scale diagnoses of the Goddard Laboratory for Atmospheric Sciences (GLAS) First GARP Global Experiment (GLAS) SOP-1 analyses and to compare these diagnoses against controlled, real-data integrations of the GLAS General Circulation Model (GCM) as well as other data sets. The effects of critical latitudes, the diagnoses of the influence of tropical wind data and latent heating upon the GLAS GCM, investigations of planetary wave structure on various time scales from the diurnal to the monthly, and comparison of the GLAS analyses with other analyses are discussed.

Paegle, J.↗

[Micron]ADS-B Detect and Avoid Flight Tests on Phantom 4 Unmanned Aircraft System

Researchers at the National Aeronautics and Space Administration Armstrong Flight Research Center in Edwards, California and Vigilant Aerospace Systems collaborated for the flight-test demonstration of an Automatic Dependent Surveillance-Broadcast based collision avoidance technology on a small unmanned aircraft system equipped with the uAvionix Automatic Dependent Surveillance-Broadcast transponder. The purpose of the testing was to demonstrate that National Aeronautics and Space Administration / Vigilant software and algorithms, commercialized as the FlightHorizon UAS"TM", are compatible with uAvionix hardware systems and the DJI Phantom 4 small unmanned aircraft system. The testing and demonstrations were necessary for both parties to further develop and certify the technology in three key areas: flights beyond visual line of sight, collision avoidance, and autonomous operations. The National Aeronautics and Space Administration and Vigilant Aerospace Systems have developed and successfully flight-tested an Automatic Dependent Surveillance-Broadcast Detect and Avoid system on the Phantom 4 small unmanned aircraft system. The Automatic Dependent Surveillance-Broadcast Detect and Avoid system architecture is especially suited for small unmanned aircraft systems because it integrates: 1) miniaturized Automatic Dependent Surveillance-Broadcast hardware; 2) radio data-link communications; 3) software algorithms for real-time Automatic Dependent Surveillance-Broadcast data integration, conflict detection, and alerting; and 4) a synthetic vision display using a fully-integrated National Aeronautics and Space Administration geobrowser for three dimensional graphical representations for ownship and air traffic situational awareness. The flight-test objectives were to evaluate the performance of Automatic Dependent Surveillance-Broadcast Detect and Avoid collision avoidance technology as installed on two small unmanned aircraft systems. In December 2016, four flight tests were conducted at Edwards Air Force Base. Researchers in the ground control station looking at displays were able to verify the Automatic Dependent Surveillance-Broadcast target detection and collision avoidance resolutions.

avoidance↗

Designing the User Experience for Earth Observation Data Services in the Cloud

NASA's Earth Observation (EO) inventory is projected to grow by an order of magnitude over the next 5-6 years. The current mode for working with EO data of downloading the data to a local machine (laptop, desktop or server) will be difficult to sustain for these upcoming volumes. Therefore, NASA is in the process of developing a capability to host large volume data in commercial cloud, with an eye toward encouraging data analysis in the cloud. However, in order for the user community to take advantage of this new mode of data interaction, the user experience must be redesigned. Cloud-hosted data brings new challenges, such as managing the costs of data egress and working with data in Web Object Storage instead of a Posix filesystem. However, it also brings new opportunities. Scaling data transformation processes may permit more synchronous data services with near-immediate response vs. cumbersome ordering systems with latencies of hours or days. Data co-location in the cloud can facilitate data integration and fusion. Highly scalable filesystems and databases in the cloud support data reorganization to facilitate analysis at scale. In the course of NASA's reimagining of the User Experience for EO data usage relies on end user input gathered through surveys, workshops and meetings (such as this). At the same time, we have embarked on a course of pedagogy and capacity building to help the user community evolve to cloud-based analysis.

Lynnes, Christopher↗

Validation of the Integrated Medical Model Using Historical Space Flight Data

The Integrated Medical Model (IMM) utilizes Monte Carlo methodologies to predict the occurrence of medical events, utilization of resources, and clinical outcomes during space flight. Real-world data may be used to demonstrate the accuracy of the model. For this analysis, IMM predictions were compared to data from historical shuttle missions, not yet included as model source input. Initial goodness of fit test-ing on International Space Station data suggests that the IMM may overestimate the number of occurrences for three of the 83 medical conditions in the model. The IMM did not underestimate the occurrence of any medical condition. Initial comparisons with shuttle data demonstrate the importance of understanding crew preference (i.e., preferred analgesic) for accurately predicting the utilization of re-sources. The initial analysis demonstrates the validity of the IMM for its intended use and highlights areas for improvement.

Kerstman, Eric L.↗

The Sensor Management for Applied Research Technologies (SMART) Project

NASA seeks on-demand data processing and analysis of Earth science observations to facilitate timely decision-making that can lead to the realization of the practical benefits of satellite instruments, airborne and surface remote sensing systems. However, a significant challenge exists in accessing and integrating data from multiple sensors or platforms to address Earth science problems because of the large data volumes, varying sensor scan characteristics, unique orbital coverage, and the steep "learning curve" associated with each sensor, data type, and associated products. The development of sensor web capabilities to autonomously process these data streams (whether real-time or archived) provides an opportunity to overcome these obstacles and facilitate the integration and synthesis of Earth science data and weather model output.

Goodman, Michael↗

Wireless Sensor Instrumentation for Distributed Sensing in Ground-Test Facilities

Wireless sensors have a number of advantages over wired sensors for flexible or temporary diagnostic deployment in a field or lab setting. Relative to wireless alternatives, traditional wired systems encounter limitations including spatial and weight constraints, maintenance costs, and signal integrity in high-noise environments. Ground-test facilities often face these challenges and cause increase down-time costs and failure of data integrity. This paper describes the development and implementation of flexible wireless sensor boards for applications within ground-test facilities using different network architectures. These boards implement state-of-the- art STM32 microprocessor chips for high-speed data acquisition and computational power. Additionally, the design integrates long-range radio transceivers with power output of +20dBm, easily reaching 2 km range, while maintaining high interference immunity and minimizing current consumption. The wireless sensor boards were implemented to demonstrate performance through benchmark testing and by taking distributed electrically-isolated measurements on a high-voltage lab apparatus while using different network architectures. Although this test case is in a laboratory setting, this network architecture could be easily repurposed for various other forms of monitoring.

Wireless Sensor Network↗

Guiding the choice of informatics software and tools for lipidomics research applications

Progress in mass spectrometry lipidomics has led to a rapid proliferation of studies across biology and biomedicine. These generate extremely large raw datasets requiring sophisticated solutions to support automated data processing. To address this, numerous software tools have been developed and tailored for specific tasks. However, for researchers, deciding which approach best suits their application relies on ad hoc testing, which is inefficient and time consuming. Here we first review the data processing pipeline, summarizing the scope of available tools. Next, to support researchers, LIPID MAPS provides an interactive online portal listing open-access tools with a graphical user interface. This guides users towards appropriate solutions within major areas in data processing, including (1) lipid-oriented databases, (2) mass spectrometry data repositories, (3) analysis of targeted lipidomics datasets, (4) lipid identification and (5) quantification from untargeted lipidomics datasets, (6) statistical analysis and visualization, and (7) data integration solutions. Detailed descriptions of functions and requirements are provided to guide customized data analysis workflows.

59 BASIC BIOLOGICAL SCIENCES↗

EspressoDB: A scientific database for managing high-performance computing workflows

EspressoDB is a programmatic object-relational mapping (ORM) data management framework implemented in Python and based on the Django web framework. EspressoDB was developed to streamline data management, centralize and promote data integrity, while providing domain flexibility and ease of use. It is designed to directly integrate in utilized software to allow dynamical access to vast amount of relational data at runtime.

Chang, Chia↗

The Lunar Transit Telescope - A moon-based strip search of the universe

The Lunar Transit Telescope (LTT), a unique, nonmoving astronomical survey telescope, is described. The autonomous operation of the soft-landed telescope is discussed and scientific programs enabled by LTT data are listed. The moon is discussed as a viable spacecraft for this mission. In particular, perturbations to the moon's stable rotation are shown to negligibly impact LTT image quality. The stable bearing properties of the lunar regolith are shown suitable for LTT support, as well. Meteoroid impacts on the telescope optics are shown to be a minor problem. A cosmic ray mitigation system which ensures data integrity is described. An opportunity for international collaboration in the reception of LTT data is proposed.

Mcgraw, John T.↗

Genomic clocks and evolutionary timescales

For decades, molecular clocks have helped to illuminate the evolutionary timescale of life, but now genomic data pose a challenge for time estimation methods. It is unclear how to integrate data from many genes, each potentially evolving under a different model of substitution and at a different rate. Current methods can be grouped by the way the data are handled (genes considered separately or combined into a 'supergene') and the way gene-specific rate models are applied (global versus local clock). There are advantages and disadvantages to each of these approaches, and the optimal method has not yet emerged. Fortunately, time estimates inferred using many genes or proteins have greater precision and appear to be robust to different approaches.

Evolution, Molecular↗