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All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

High Performance Data Analytics on a Commodity Private Cloud

Sandia is researching novel methods of analysis for large datasets. The term “Big Data” has been used frequently in recent years to describe a discipline of computer science that attempts to distil an increasing quantity of data into a result or meaningful subset that can be easily visualized and acted upon by human consumers. These data are frequently characterized by one or more of the following: high volume, velocity, variety, and veracity. Sandia scientists and researchers are no strangers to large datasets, which often typify the result of high-performance computing workloads. The challenge for Sandia data scientists, however, comes at the arrival of exascale computing, which has become mandated by executive order for national computing centers. Because of power and networking limitations, exascale computing precludes the movement of datasets at exascale from data production to data analysis. Such analysis must be done in-situ, to mitigate the time and power costs of network transport. Currently, many of Sandia’s data analytics environments exist as independent entities, often specialized for individual use cases, interconnected to other data analytics, high-performance computing, and storage systems. Sandia is procuring, installing, and researching future platforms for such data analytics. A memory footprint of 256 GB per node, fourteen data rate (FDR) InfiniBand networking, PCIe connected non-volatile memory (NVMe) data storage, and an object data store will characterize the coming institutional data analytics platforms. The combined systems will contain 300 compute nodes. A cloud-inspired software stack resulting from collaboration between the Sandia centers will allow the systems to support a flexible mix of user and system-facing workloads and use cases including code development and testing in R and Python, Apache Hadoop and Spark, distributed in-memory databases, graph analytics, emulytics, system log and predictive analytics, and data visualization for institutional and mission customers. These systems will arrive at the end of FY 2015 and production is planned by the spring of FY 2016.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2017

Cloud Based Analytical Framework for Synchrophasor Data Analysis

The paper presents initial results from the development of a cloud-based, Big Data analysis platform for power systems. The computational pipeline uses the Apache Spark framework running in an OpenStack cloud infrastructure. A real-world phasor measurement unit (PMU) dataset has been used to carry out the analysis. Actual examples of power system events detection using synchrophasor data are presented. It has been shown that applications of the cloud based computing environment and the Apache Spark framework enable a significant increase in the computational efficiency of large-scale PMU data analysis.

PMU, Machine Learning, Big Data, SPARK, Event Dete↗
DOE OSTI2014

The Materials Application Programming Interface (API): A simple, flexible and efficient API for materials data based on REpresentational State Transfer (REST) principles

Here in this paper, we describe the Materials Application Programming Interface (API), a simple, flexible and efficient interface to programmatically query and interact with the Materials Project database based on the REpresentational State Transfer (REST) pattern for the web. Since its creation in Aug 2012, the Materials API has been the Materials Project's de facto platform for data access, supporting not only the Materials Project's many collaborative efforts but also enabling new applications and analyses. We will highlight some of these analyses enabled by the Materials API, particularly those requiring consolidation of data on a large number of materials, such as data mining of structural and property trends, and generation of phase diagrams. We will conclude with a discussion of the role of the API in building a community that is developing novel applications and analyses based on Materials Project data.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Meeting Global Health Needs via Infectious Disease Forecasting: Development of a Reliable Data-Driven Framework

Infectious diseases (IDs) have a significant detrimental impact on global health. Timely and accurate ID forecasting can result in more informed implementation of control measures and prevention policies. To meet the operational decision-making needs of real-world circumstances, we aimed to build a standardized, reliable, and trustworthy ID forecasting pipeline and visualization dashboard that is generalizable across a wide range of modeling techniques, IDs, and global locations. We forecasted 6 diverse, zoonotic diseases (brucellosis, campylobacteriosis, Middle East respiratory syndrome, Q fever, tick-borne encephalitis, and tularemia) across 4 continents and 8 countries. We included a wide range of statistical, machine learning, and deep learning models (n=9) and trained them on a multitude of features (average n=2326) within the One Health landscape, including demography, landscape, climate, and socioeconomic factors. The pipeline and dashboard were created in consideration of crucial operational metrics—prediction accuracy, computational efficiency, spatiotemporal generalizability, uncertainty quantification, and interpretability—which are essential to strategic data-driven decisions. While no single best model was suitable for all disease, region, and country combinations, our ensemble technique selects the best-performing model for each given scenario to achieve the closest prediction. For new or emerging diseases in a region, the ensemble model can predict how the disease may behave in the new region using a pretrained model from a similar region with a history of that disease. The data visualization dashboard provides a clean interface of important analytical metrics, such as ID temporal patterns, forecasts, prediction uncertainties, and model feature importance across all geographic locations and disease combinations. As the need for real-time, operational ID forecasting capabilities increases, this standardized and automated platform for data collection, analysis, and reporting is a major step forward in enabling evidence-based public health decisions and policies for the prevention and mitigation of future ID outbreaks.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2022

International interlaboratory compilation of trace element concentrations in the CUP-2 uranium ore concentrate standard

Herein, a nuclear forensics investigation involving a uranium ore concentrate relies on accurate and precise analysis of impurities. Analytical data defensibility requires the use of reference materials as part of quality control. This study presents a compilation of trace element concentration results of the CUP-2 Uranium Ore Concentrate Standard measured by 11 different laboratories. The laboratories employed various dissolution methods, analytical preparation methods, and instrumental platforms. The data presented here contain concentrations of 66 impurities with up to 138 individual data points for each impurity. Consensus values have been assigned to each impurity following a statistical analysis of the data set.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2021

Comprehensive GOM Federal Waters Platform, Incident, Metocean, and Geohazard Dataset

The dataset contains integrated data from an array of disparate data sources, all spatially and temporally linked to platforms in the federal waters of the Gulf of Mexico (platform data from BSEE, 2020). Integrated data includes past reported incidents dating back to 1956 (BSEE, BOEM, MMS), metocean data (see Nelson et al. in review for source information), and geohazard data (see Nelson et al. in review for source information). Proprietary well production information was redacted from this dataset, but was used in resulting analytics.

Full System↗
DOE OSTI2022

Real-time 3D analysis during electron tomography using tomviz

The demand for high-throughput electron tomography is rapidly increasing in biological and material sciences. However, this 3D imaging technique is computationally bottlenecked by alignment and reconstruction which runs from hours to days. We demonstrate real-time tomography with dynamic 3D tomographic visualization to enable rapid interpretation of specimen structure immediately as data is collected on an electron microscope. Using geometrically complex chiral nanoparticles, we show volumetric interpretation can begin in less than 10 minutes and a high-quality tomogram is available within 30 minutes. Real-time tomography is integrated into tomviz, an open-source and cross-platform 3D data analysis tool that contains intuitive graphical user interfaces (GUI), to enable any scientist to characterize biological and material structure in 3D.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Design and commissioning of resistive foil bolometer diagnostics on the ST40 tokamak

Following successful campaigns on the compact high field spherical tokamak ST40, resistive gold foil bolometers have now been installed to measure the radiated power profile. Positioned on the midplane, two bolometer cameras offer perspectives of the horizontal and vertical planes, while the third camera, situated above the midplane, provides a vertical view of the top divertor plates, including the X-point and the strike points. Further, these cameras use a commercial off-the-shelf data acquisition platform with modules specifically designed for bolometers in a Wheatstone bridge configuration, providing both phase sensitive detection and in situ calibration. This paper presents an overview of the design and functionality of all three cameras and the commissioning of the horizontal plane camera. The commissioning of the horizontal camera shows data from a range of plasma pulses, presenting a positive correlation between the relative profiles measured from the bolometer camera and an absolute extreme ultraviolet diode camera viewing along similar lines of sight.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

New U.S. Data Tools are Playing a Crucial Role in Decarbonizing Buildings at Speed, Scale, and Low Cost

Preparing buildings for retrofits traditionally requires expensive on-site audits or timeintensive simulation models. As a result, the majority of buildings fail to pursue cost-saving retrofits. To address these barriers, the U.S. Department of Energy (DOE) has introduced the Building Efficiency Targeting Tool for Energy Retrofits (BETTER)-a new, free, on-line tool that utilizes a data-driven analytical engine and user-friendly web interface to automatically analyze a building's monthly energy usage in response to weather conditions. The tool benchmarks a building's electric and fossil energy usage against peers; estimates energy, cost, and emissions reductions at the building and portfolio levels; recommends energy efficiency measures; and prioritizes buildings for net-zero energy retrofits. Thanks to interoperability with the DOE's Standard Energy Efficiency Data (SEED) platform, BETTER is supporting U.S. jurisdictions to prepare buildings for retrofit at speed, scale, and low cost to comply with energy policies. This paper discusses the use of BETTER and SEED by one of the branches of the California state government to streamline a retrofit program across 455 public non-residential buildings to align with state goals to reduce greenhouse gas emissions. It describes the organization's challenge to reduce energy consumption across a geographically diverse, aging portfolio; explores how BETTER and SEED improved workflow efficiency; presents preliminary results, including avoiding audit costs of $3.28 million and developing the groundwork for retrofit projects estimated to prevent emission of 2,271 t CO2e annually; and provides guidance for other jurisdictions seeking similar results.

BETTER↗
DOE OSTI2016

TERRA: Building New Communities for Advanced Biofuels

ARPA-E’s Transportation Energy Resources from Renewable Agriculture (TERRA) program is bringing together top experts from different disciplines – agriculture, robotics and data analytics – to rethink the production of advanced biofuel crops. ARPA-E Program Director Dr. Joe Cornelius discusses the TERRA program and explains how ARPA-E’s model enables multidisciplinary collaboration among diverse communities. The video focuses on two TERRA projects—Donald Danforth Center and Purdue University—that are developing and integrating cutting-edge remote sensing platforms, complex data analytics tools and plant breeding technologies to tackle the challenge of sustainably increasing biofuel stocks.

09 BIOMASS FUELS↗
DOE OSTI2022

Hardware-accelerated inference for real-time gravitational-wave astronomy

The field of transient astronomy has seen a revolution with the first gravitational-wave detections and the arrival of multi-messenger observations they enabled. Transformed by the first detection of binary black hole and binary neutron star mergers, computational demands in gravitational-wave astronomy are expected to grow by at least a factor of two over the next five years as the global network of kilometer-scale interferometers are brought to design sensitivity. With the increase in detector sensitivity, real-time delivery of gravitational-wave alerts will become increasingly important as an enabler of multi-messenger followup. In this work, we report a novel implementation and deployment of deep learning inference for real-time gravitational-wave data denoising and astrophysical source identification. This is accomplished using a generic Inference-as-a-Service model that is capable of adapting to the future needs of gravitational-wave data analysis. Overall, our implementation allows seamless incorporation of hardware accelerators and also enables the use of commercial or private (dedicated) as-a-service computing. Based on our results, we propose a paradigm shift in low-latency and offline computing in gravitational-wave astronomy. Such a shift can address key challenges in peak-usage, scalability and reliability, and provide a data analysis platform particularly optimized for deep learning applications. The achieved sub-millisecond scale latency will also be relevant for any machine learning-based real-time control systems that may be invoked in the operation of near-future and next generation ground-based laser interferometers, as well as the front-end collection, distribution and processing of data from such instruments.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2024

In situ Synchrotron X‐ray Metrology Boosted by Automated Data Analysis for Real‐time Monitoring of Cathode Calcination

Abstract Synchrotron X‐ray‐based in situ metrology is advantageous for monitoring the synthesis of battery materials, offering high throughput, high spatial and temporal resolution, and chemical sensitivity. However, the rapid generation of massive data poses a challenge to on‐site, on‐the‐fly analysis needed for real‐time process monitoring. Here, a weighted lagged cross‐correlation (WLCC) similarity approach is presented for automated data analysis, which merges with in situ synchrotron X‐ray diffraction metrology to monitor the calcination process of the archetypal nickel‐based cathode, LiNiO 2 . The WLCC approach, incorporating variables that account for peak shifts and width changes associated with structural transformations, enables rapid extraction of phase progression within 10 seconds from tens of diffraction patterns. Details are captured, from initial precursors to intermediates and the final layered LiNiO 2 , providing information for agile on‐site adjustments during experiments and complementing post hoc diffraction analysis by offering insights into early‐stage phase nucleation and growth. Expanding this data‐powered platform paves the way for real time calcination process monitoring and control, which is pivotal to quality control in battery cathode manufacturing.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Monitoring agroecosystem productivity and phenology at a national scale: A metric assessment framework

Effective measurement of seasonal variations in the timing and amount of production is critical to managing spatially heterogeneous agroecosystems in a changing climate. Although numerous technologies for such measurements are available, their relationships to one another at a continental extent are unknown. Using data collected from across the Long-Term Agroecosystem Research (LTAR) network and other networks, we investigated correlations among key metrics representing primary production, phenology, and carbon fluxes in croplands, grazing lands, and crop-grazing integrated systems across the continental U.S. Metrics we examined included gross primary productivity (GPP) estimated from eddy covariance (EC) towers and modelled from the Landsat satellite, Landsat NDVI, and vegetation greenness (Green Chromatic Coordinate, GCC) from tower-mounted PhenoCams for 2017 and 2018. Overall, our analysis compared production dynamics estimated from three independent ground and remote platforms using data for 34 agricultural sites constituting 51 site-years of co-located time series. Pairwise sensor comparisons across all four metrics revealed stronger correlation and lower root mean square error (RMSE) between end of season (EOS) dates (Pearson R ranged from 0.6 to 0.7 and RMSE from 32.5 to 67.8) than start of season (SOS) dates (0.46 to 0.69 and 40.4 to 66.2). Overall, moderate to high correlations between SOS and EOS metrics complemented one another except at some lower productivity grazing land sites where estimating SOS can be challenging. Growing season length estimates derived from 16-day satellite GPP (179.1 days) were significantly longer than those from PhenoCam G CC (70.4 days, p adj < 0.0001) and EC GPP (79.6 days, p adj < 0.0001). Landscape heterogeneity did not explain differences in SOS and EOS estimates. Annual integrated estimates of productivity from EC GPP and PhenoCam G CC diverged from those estimated by Landsat GPP and NDVI at sites where annual production exceeds 1000 gC/m –2 yr –1 . Based on our results, we developed a “metric assessment framework” that articulates where and how metrics from satellite, eddy covariance and PhenoCams complement, diverge from, or are redundant with one another. The framework was designed to optimize instrumentation selection for monitoring, modeling, and forecasting ecosystem functioning with the ultimate goal of informing decision-making by land managers, policy-makers, and industry leaders working at multiple scales.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2018

Analysis of stimulated Raman scattering using diode data at the Pecos experimental platform

In order to increase neutron yield in fusion experiments on the Magnetized Linear Inertial Fusion (MagLIF) platform, it is important to maximize the energy coupled to the fuel during the laser-preheat stage. However, laser-energy coupling is limited by laser—plasma instabilities (LPI). In this regard, the Pecos facility at Sandia National Laboratories uses the Z-beamlet laser to test and study the effects of LPI on MagLIF-relevant targets. In particular, stimulated Raman scattering (SRS) is measured in Pecos by using two photo-diodes and a near-beam imager. The measurements from the photo-diodes are processed using a synthetic spectrum based on a Gaussian model. With this relatively simple model, the mean wavelength and intensity of backscattered light can be deduced. Our measurements show similar trends as those given by time-resolved spectrometer data. Hence, this model provides a simple way to approximate time-resolved spectra for scattered light by SRS.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Lead Isotope Fingerprinting of Nanoscale Mineral Particles via Single Particle Inductively Coupled Plasma Mass Spectrometry

Determining lead (Pb) isotopic ratios is of broad interest across chemical disciplines for source tracing and age determinations, but the technique is inherently limited when multiple sources of Pb are present in a single sample. Single particle methods offer a solution to directly resolve multiple distinct isotopic ratios within individual samples. In this study, single particle inductively coupled plasma-mass spectrometry (spICP-MS) was performed using time-of-flight (TOF) and multicollector (MC)-based platforms to measure the Pb isotopic composition of individual nanoscale particles. Distinct Pb isotope ratios were measured in particles from four powdered galena samples of different origins (average single-particle 206Pb/207Pb ratios ranging from 0.91 to 1.28) using both the TOF and the MC-based platforms. Differentiation of galena particles in a mixture (liberated grains and those hosted in a silicate matrix) was possible due to detecting their unique multielemental fingerprints. The differing behavior of the two galena samples during digestion was investigated; undigested galena particles trapped within silicate minerals were detected using spICP-MS, which has implications for Pb recovery in bulk-scale isotopic analysis. The multinuclide detection capability of the ICP-TOF-MS instrument allowed for the simultaneous detection of secondary constituent elements within the nanoparticles and the identification of multiple populations of isotopically distinct Pb-bearing particles in a copper ore sample, whereas the increased sensitivity of the MC instrument enabled quantification of 204Pb, allowing differentiation using multiple isotopic ratios. A single particle isotope ratio analysis module was developed within an open-source spICP-TOF-MS data processing platform, enabling its adoption across chemical disciplines.

Goodman, Aaron J. [University of Montreal, Quebec,↗
DOE OSTI2017

PoE Lighting System Energy Reporting Study, Part 1

The replacement of today’s lighting infrastructure with LED products offers the potential for future connected lighting systems (CLS) that could become a data-collection platform that enables greater energy savings in buildings and cities. Such connected lighting systems can not only drastically improve the energy performance of lighting and other building systems, but also enable a wide array of services, benefits, and revenue streams that would enhance the value of lighting systems. As LED technology matures, maximizing the energy savings from connected LED lighting systems will become increasingly dependent on successful integration into the built environment. That’s why the DOE SSL Program is working closely with industry to identify and collaboratively address the technology development needs of CLS. For several years now, a growing number of wired and wireless network communication technologies have been integrated into commercially available lighting devices. While most commercially available lighting devices continue to require line-voltage AC power, a few new low-voltage DC technologies have also been introduced into the market as options for powering LED devices. More recently, a technology that has long supported non-lighting applications has become increasingly viable for LED lighting. This approach, whereby a single Ethernet cable is used to both provide low-voltage DC power and enable network communication, is generally referred to as Power over Ethernet (PoE). Whereas wireless solutions offer reduced control system installation cost relative to traditional low-voltage alternatives, PoE technology can offer additional cost savings by transmitting power and communications over the same low-voltage cable, while also reducing demand for wireless bandwidth. Although PoE technology was introduced at the start of this century, it was initially of limited applicability to lighting systems to power transmission limits for available Ethernet cabling. However, PoE has become increasingly viable for lighting applications in recent years as Ethernet cabling technology has evolved and relevant standards and specifications have adapted. These gains have been compounded by ongoing improvements to the luminous efficacy of LED technologies, increasing the number of LED luminaires suitable for use with Ethernet switches capable of sourcing PoE. As a result, a growing number of manufacturers have introduced PoE lighting systems in recent years. Connected lighting systems that can report their own energy consumption can deliver increased energy savings over conventional lighting solutions by facilitating data-driven energy management. PoE technology has the potential to be key in bringing this capability to mainstream lighting applications. This study is the first of a multi-part effort to explore the energy reporting capability of commercially-marketed PoE connected lighting systems. It first provides a brief background on the development of the various PoE technologies, ranging from standards-based to proprietary, and illustrates the convergence of PoE power sourcing capabilities and LED luminaire power requirements. It then classifies PoE system devices in relationship to how they are used in systems—introducing new terminology as needed—and briefly describes different PoE system architectures implemented by various lighting manufacturers. A discussion of existing standards and specifications that address energy reporting is provided, and existing test setups and methods germane to characterizing PoE system energy reporting performance are reviewed.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2017

Establishing Evidence-Based Indications for Proton Therapy: An Overview of Current Clinical Trials

Purpose: To review and assess ongoing proton beam therapy (PBT) clinical trials and to identify major gaps. Methods and Materials: Active PBT clinical trials were identified from (clinicaltrials.gov) and the World Health Organization International Clinical Trials Platform Registry. Data on clinical trial disease site, age group, projected patient enrollment, expected start and end dates, study type, and funding source were extracted. Results: A total of 122 active PBT clinical trials were identified, with target enrollment of >42,000 patients worldwide. Ninety-six trials (79%), with a median planned sample size of 68, were classified as interventional studies. Observational studies accounted for 21% of trials but 71% (n=29,852) of planned patient enrollment. The most common PBT clinical trials focus on gastrointestinal tract tumors (21%, n=26), tumors of the central nervous system (15%, n=18), and prostate cancer (12%, n=15). Five active studies (lung, esophagus, head and neck, prostate, breast) will randomize patients between protons and photons, and 3 will randomize patients between protons and carbon ion therapy. Conclusions: The PBT clinical trial portfolio is expanding rapidly. Although the majority of ongoing studies are interventional, the majority of patients will be accrued to observational studies. Future efforts should focus on strategies to encourage optimal patient enrollment and retention, with an emphasis on randomized, controlled trials, which will require support from third-party payers. Results of ongoing PBT studies should be evaluated in terms of comparative effectiveness, as well as incremental effectiveness and value offered by PBT in comparison with conventional radiation modalities.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2019

Climate-Water Adaptation for Future US Electricity Infrastructure

Future climate-water conditions are anticipated to increase electricity demand, reduce transmission capacity, and limit power production. Yet, typical electricity capacity expansion planning does not consider climate-water constraints. We project four alternative U.S. power system configurations using an iterative modeling and data exchange platform that integrates climate-driven hydrological, thermal power plant, and capacity expansion models. Through a comparison with traditional modeling approaches, we show that this novel approach provides greater confidence in electricity capacity projections by incorporating feasibility checks that adjust infrastructure development to reach grid reliability thresholds under climate-water constraints. Initial projections without climate-water impacts on electricity generation show future power systems become less vulnerable, independent of climate-water adaptation, as economic drivers increase renewable and natural gas-based capacity, while water-intensive coal and nuclear plants retire. However, power systems may face reliability challenges without climate-water adaptation, revealing the significance of incorporating climate-water impacts into power system planning. Climate-adjusted (Iterative approach) projections require a 5.3-12.0% increase in national-level capacity, relative to Initial projections, leading to an additional $125-143 billion (5.0-7.0%) in infrastructure costs. Variable renewable and natural gas technologies account for nearly all the additional capacity and, together with regional trade-offs in electricity generation, enhance grid performance to reach reliability thresholds. These adaptation transitions also lower water use and emissions, contributing to climate change mitigation, and highlight the trade-offs and impacts of both near and long-term electricity generation planning decisions.

24 POWER TRANSMISSION AND DISTRIBUTION↗