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At least 217 records · Page 12

DOE COVID-19 Data Curation Effort: Overview of Initial Data Collection Coverage (March - June 2020)

During the COVID-19 pandemic of 2020, major case reporting outlets quickly coalesced around two or three primary vendors. Johns Hopkins University and The New York Times were among the more prominent, and all were of great value to the nation, particularly during the uncertain early stages of the pandemic. They primarily focused on three major attributes: number of new cases, deaths, and recovery, but only at the state level. Recognizing that many states were reporting very detailed data sets (e.g., hospital beds) at a count level or finer, the ORNL Pandemic Modeling team embarked on a major data curation effort from March to June 2020 for the purpose of capturing this wealth of detailed data. The challenge of curating this data was daunting. The number of attributes reported by the states grew on almost on a weekly basis. States were routinely shifting their web tool strategies away from easily parsable HTML-based formatting to new Tableau and ArcGIS content. This growth in the sheer number of attributes combined with the unpredictable shifts in data format meant an aggressive and agile combination of automated scripting and manual scraping was required to capture new daily streams. To keep up, the team had to scale up staff and widen its approach for capture and storage. The DOE COVID-19 data collection effort resulted in over 11 million data points being collected, covering over 13,000 unique geographies and over 2,000 unique attributes that spanned predominantly from early March through the end of June 2020.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

Modeling, Detection, and Disambiguation of Sensor Faults for Aerospace Applications

Sensor faults continue to be a major hurdle for systems health management to reach its full potential. At the same time, few recorded instances of sensor faults exist. It is equally difficult to seed particular sensor faults. Therefore, research is underway to better understand the different fault modes seen in sensors and to model the faults. The fault models can then be used in simulated sensor fault scenarios to ensure that algorithms can distinguish between sensor faults and system faults. The paper illustrates the work with data collected from an electro-mechanical actuator in an aerospace setting, equipped with temperature, vibration, current, and position sensors. The most common sensor faults, such as bias, drift, scaling, and dropout were simulated and injected into the experimental data, with the goal of making these simulations as realistic as feasible. A neural network based classifier was then created and tested on both experimental data and the more challenging randomized data sequences. Additional studies were also conducted to determine sensitivity of detection and disambiguation efficacy to severity of fault conditions.

Balaban, Edward↗

Challenges for monitoring and data analytics in a leadership public data repository

The availability and disposition of data has assumed increasing importance in large-scale computational science. Data repositories are evolving to meet new classes of requirements: compliance with government access guidelines, support for reproducibility of experimental results, and long-term availability of data products. The Constellation public data repository at the Oak Ridge Leadership Computing Facility faces these issues while being situated in one of the most productive data centers in the world. While monitoring and operational data analysis are ingrained in the operation of the OLCF’s large-scale high performance computing platforms, data repositories do not have this history of support. Problems faced by Constellation range from data size (over 7 petabytes in current holdings) to analytic complexity (detailed curation is both absolutely necessary for many data sets and absolutely impossible for humans to accomplish in any practical manner) to deployment environment (OLCF storage resources are oriented toward the needs of the compute platforms). In this paper we describe some of the challenges for collecting monitoring and analytic data from a leadership public data repository. We also discuss various strategies we are pursuing in order to address these challenges, from manual data collection to plans for introducing machine learning-based curatorial techniques.

Widener, Patrick [ORNL] (ORCID:0000000258820816)↗

Experimental data for damage mechanics simulation challenge

While there are many computational approaches for simulating damage in rock and other materials, few have been ground truth tested with either known experimental data or with blind data sets. Here, in this work, we present a bench-mark laboratory data set for a damage mechanics challenge to compare computational approaches on damage evolution in brittle-ductile materials. The samples were fabricated through additive manufacturing to produce repeatable specimens designed to fail in controlled ways. The failure was induced in the samples using a 3-point bending test to produce different Modes such as Mode I and mixed Modes including I-II, I-III and I-II-III Modes to generate a calibration data set and a blind challenge data set. Data collected included spatial and temporal measurements from traditional digital load–displacement sensors, 2D digital image correlation measurement to map surface deformations, 3D X-ray microscopy to ground-truth the crack-failure geometry, and laser profilometry to capture surface roughness. The data sets are available, on a data repository, to the community to advance computational models to improve our ability to predict damage in brittle-ductile materials.

3-point bending↗

A data integration framework of additive manufacturing based on FAIR principles

Abstract Laser-powder bed fusion (L-PBF) is a popular additive manufacturing (AM) process with rich data sets coming from both in situ and ex situ sources. Data derived from multiple measurement modalities in an AM process capture unique features but often have different encoding methods; the challenge of data registration is not directly intuitive. In this work, we address the challenge of data registration between multiple modalities. Large data spaces must be organized in a machine-compatible method to maximize scientific output. FAIR (findable, accessible, interoperable, and reusable) principles are required to overcome challenges associated with data at various scales. FAIRified data enables a standardized format allowing for opportunities to generate automated extraction methods and scalability. We establish a framework that captures and integrates data from a L-PBF study such as radiography and high-speed camera video, linking these data sets cohesively allowing for future exploration. Graphical abstract

36 MATERIALS SCIENCE↗

Navigating Uncertainty: Challenges in Visualizing Ensemble Data and Surrogate Models for Decision Systems

Uncertainty visualization plays a critical role in transforming ensemble simulation data into actionable insights by effectively communicating various dimensions of uncertainty within a system. The emergence of artificial intelligence-driven surrogate models trained on multirun ensemble data offers a transformative opportunity to replace computationally intensive simulations with fast estimates, enabling users to explore data spaces with unprecedented depth and interactivity. However, integrating ensemble data and surrogate models into decision-making workflows and tools introduces novel challenges for uncertainty visualization. These include reconciling and clearly communicating the unique uncertainties associated with ensembles and their surrogate model estimates, and leveraging these approximations to inform actionable decisions. This work explores these challenges in the context of high-dimensional data visualization, bridging discrete datasets with their continuous representations and addressing the complexities of systems that support iterative navigation between input and output spaces. We evaluate the role of uncertainty visualization in fostering intuitive, actionable interactions and identify critical hurdles in advancing this frontier of computational simulation.

97 MATHEMATICS AND COMPUTING↗

Novel approach for evaluating detector-related uncertainties in a LArTPC using MicroBooNE data

Primary challenges for current and future precision neutrino experiments using liquid argon time projection chambers (LArTPCs) include understanding detector effects and quantifying the associated systematic uncertainties. This paper presents a novel technique for assessing and propagating LArTPC detector-related systematic uncertainties. The technique makes modifications to simulation waveforms based on a parameterization of observed differences in ionization signals from the TPC between data and simulation, while remaining insensitive to the details of the detector model. The modifications are then used to quantify the systematic differences in low- and high-level reconstructed quantities. This approach could be applied to future LArTPC detectors, such as those used in SBN and DUNE.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

The Challenges of Releasing Human Data for Analysis

The NASA Johnson Space Center s (NASA JSC) Committee for the Protection of Human Subjects (CPHS) recently approved the formation of two human data repositories: the Lifetime Surveillance of Astronaut Health Repository (LSAH-R) for clinical data and the Life Sciences Data Archive Repository (LSDA-R) for research data. The establishment of these repositories forms the foundation for the release of data and information beyond the scope for which the data was originally collected. The release of clinical and research data and information is primarily managed by two NASA groups: the Evidence Base Working Group (EBWG), consisting of members of both repositories, and the LSAH Policy Board. The goal of unifying these repositories and their processes is to provide a mutually supportive approach to handling medical and research data, to enhance the use of medical and research data to reduce risk, and to promote the understanding of space physiology, countermeasures and other mitigation strategies. Over the past year, both repositories have received over 100 data and information requests from a wide variety of requesters. The disposition of these requests has highlighted the challenges faced when attempting to make data collected on a unique set of subjects available beyond the original intent for which the data were collected. As the EBWG works through each request, many considerations must be factored into account when deciding what data can be shared and how - from the Privacy Act of 1974 and the Health Insurance Portability and Accountability Act (HIPAA), to NASA s Health Information Management System (10HIMS) and Human Experimental and Research Data Records (10HERD) access requirements. Additional considerations include the presence of the data in the repositories and vetting requesters for legitimacy of their use of the data. Additionally, fair access must be ensured for intramural, as well as extramural investigators. All of this must be considered in the formulation of the charters, policies and workflows for the human data repositories at NASA.

Fitts, Mary↗

Advancing Data Assimilation in Operational Hydrologic Forecasting: Progresses, Challenges, and Emerging Opportunities

Data assimilation (DA) holds considerable potential for improving hydrologic predictions as demonstrated in numerous research studies. However, advances in hydrologic DA research have not been adequately or timely implemented in operational forecast systems to improve the skill of forecasts for better informed real-world decision making. This is due in part to a lack of mechanisms to properly quantify the uncertainty in observations and forecast models in real-time forecasting situations and to conduct the merging of data and models in a way that is adequately efficient and transparent to operational forecasters. The need for effective DA of useful hydrologic data into the forecast process has become increasingly recognized in recent years. This motivated a hydrologic DA workshop in Delft, the Netherlands in November 2010, which focused on advancing DA in operational hydrologic forecasting and water resources management. As an outcome of the workshop, this paper reviews, in relevant detail, the current status of DA applications in both hydrologic research and operational practices, and discusses the existing or potential hurdles and challenges in transitioning hydrologic DA research into cost-effective operational forecasting tools, as well as the potential pathways and newly emerging opportunities for overcoming these challenges. Several related aspects are discussed, including (1) theoretical or mathematical aspects in DA algorithms, (2) the estimation of different types of uncertainty, (3) new observations and their objective use in hydrologic DA, (4) the use of DA for real-time control of water resources systems, and (5) the development of community-based, generic DA tools for hydrologic applications. It is recommended that cost-effective transition of hydrologic DA from research to operations should be helped by developing community-based, generic modeling and DA tools or frameworks, and through fostering collaborative efforts among hydrologic modellers, DA developers, and operational forecasters.

forecasting↗

A Case Study of Multimodal, Multi-institutional Data Management for the Combinatorial Materials Science Community

Although the convergence of high-performance computing, automation, and machine learning has significantly altered the materials design timeline, transformative advances in functional materials and acceleration of their design will require addressing the deficiencies that currently exist in materials informatics, particularly a lack of standardized experimental data management. The challenges associated with experimental data management are especially true for combinatorial materials science, where advancements in automation of experimental workflows have produced datasets that are often too large and too complex for human reasoning. The data management challenge is further compounded by the multimodal and multi-institutional nature of these datasets, as they tend to be distributed across multiple institutions and can vary substantially in format, size, and content. Furthermore, modern materials engineering requires the tuning of not only composition but also of phase and microstructure to elucidate processing–structure–property–performance relationships. To adequately map a materials design space from such datasets, an ideal materials data infrastructure would contain data and metadata describing (i) synthesis and processing conditions, (ii) characterization results, and (iii) property and performance measurements. In this work, we present a case study for the low-barrier development of such a dashboard that enables standardized organization, analysis, and visualization of a large data lake consisting of combinatorial datasets of synthesis and processing conditions, X-ray diffraction patterns, and materials property measurements generated at several different institutions. While this dashboard was developed specifically for data-driven thermoelectric materials discovery, we envision the adaptation of this prototype to other materials applications, and, more ambitiously, future integration into an all-encompassing materials data management infrastructure.

36 MATERIALS SCIENCE↗

Nuclide Inventory Benchmark for BWR Spent Nuclear Fuel: Challenges in Evaluation of Modeling Data Assumptions and Uncertainties

This work discusses challenges and approaches to uncertainty analyses associated with the development of a nuclide inventory benchmark for fuel irradiated in a boiling water reactor. The benchmark under consideration is being developed based on experimental data from the SFCOMPO international database. The focus herein is on how to address missing data in fuel design and operating conditions that are important for adequately simulating the time-dependent changes in fuel during irradiation in the reactor. The effects of modeling assumptions and uncertainties in modeling parameters on the calculated nuclide inventory were analyzed and quantified through computational models developed using capabilities in the SCALE code system. Particular attention was given to the impact of the power history and water coolant density on the calculated nuclide inventory, as well as to the effect of geometry modeling considerations not usually addressed in a nuclide inventory benchmark. These considerations include gap closure, channel bow, and channel corner radius, which do not usually apply to regular reactor operation but are relevant for assessing impacts of potential anomalous operating scenarios.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Data Science Techniques, Assumptions, and Challenges in Alloy Clustering and Property Prediction

Data analytics methods have been increasingly applied to understanding materials chemistry, processing due to the manufacturing approach, and uni-axial and cyclic property relationships in the highly complex space of alloy design. There are several benefits to applying data analytics to this space, including the ability to manage non-linearities in the responses of the alloy attributes and the resulting mechanical properties. However, key difficulties in applying and understanding the results of data analytics include the often lack of reported assumptions and data processing steps necessary to improve interpretation and reproducibility in derived results. In this work, the methods used to generate clustering and correlation analyses for experimental 9% Cr ferritic-martensitic steel data were investigated and the resulting implications for mechanical property predictions were assessed. This work uses principal component analysis, partitioning around medoids, t-SNE, and k-means clustering to investigate trends in composition, processing and microstructure information with creep and tensile properties, building on work done previously using a smaller version of the same dataset. The initial assumptions, preprocessing steps and methods are investigated and outlined in order to depict the fine level of detail required to convey the steps taken to process data and produce analytical results. Here, the variations in the resulting analyses are explored due to the influence of new and more varied data.

36 MATERIALS SCIENCE↗

Antarctic ice sheet model comparison with uncurated geological constraints shows that higher spatial resolution improves deglacial reconstructions

Accurately reconstructing past changes to the shape and volume of the Antarctic ice sheet relies on the use of physically based and thus internally consistent ice sheet modeling, benchmarked against spatially limited geologic data. The challenge in model benchmarking against geologic data is diagnosing whether model-data misfits are the result of an inadequate model, inherently noisy or biased geologic data, and/or incorrect association between modeled quantities and geologic observations. In this work we address this challenge by (i) the development and use of a new model-data evaluation framework applied to an uncurated data set of geologic constraints, and (ii) nested high-spatial-resolution modeling designed to test the hypothesis that model resolution is an important limitation in matching geologic data. While previous approaches to model benchmarking employed highly curated datasets, our approach applies an automated screening and quality control algorithm to an uncurated public dataset of geochronological observations (specifically, cosmogenic-nuclide exposure-age measurements from glacial deposits in ice-free areas). This optimizes data utilization by including more geological constraints, reduces potential interpretive bias, and allows unsupervised assimilation of new data as they are collected. We also incorporate a nested model framework in which high-resolution domains are downscaled from a continent-wide ice sheet model. We highlight the application of this framework by applying these methods to a small ensemble of deglacial ice-sheet model simulations, and demonstrate that the nested approach improves the ability of model simulations to match exposure age data collected from areas of complex topography and ice flow. We develop a range of diagnostic model-data comparison metrics to provide more insight into model performance than possible from a single-valued misfit statistic, showing that different metrics capture different aspects of ice sheet deflation.

Geosciences↗

Possibilities and Challenges in Using Satellite Data for PM2.5 Forecasts

Satellite remote sensing has brought our observation of the earth's atmosphere into a new era, and remote sensing capability could lead to a quantum leap in our ability of air quality monitoring and prediction. In terms of aerosols, the most common quantity from satellite retrieval is the atmospheric column aerosol optical thickness (AOT), and the most common quantity indicating air quality at the surface is the concentration of PM2.5. w e present here the relationship between the column AOT and the surface PM2.5 from a global aerosol model GOCART and from satellite and surface measurements. We will discuss the possibilities and challenges in using satellite data for PM2.5 forecasts, and if model-satellite assimilation can improve the forecast quality.

Chin, Mian↗

EMASS (trademark): An expandable solution for NASA space data storage needs

The data acquisition, distribution, processing, and archiving requirements of NASA and other U.S. Government data centers present significant data management challenges that must be met in the 1990's. The Earth Observing System (EOS) project alone is expected to generate daily data volumes greater than 2 Terabytes (2 x 10(exp 12) Bytes). As the scientific community makes use of this data, their work will result in larger, increasingly complex data sets to be further exploited and managed. The challenge for data storage systems is to satisfy the initial data management requirements with cost effective solutions that provide for planned growth. The expendable architecture of the E-Systems Modular Automated Storage System (EMASS(TM)), a mass storage system which is designed to support NASA's data capture, storage, distribution, and management requirements into the 21st century is described.

Peterson, Anthony L.↗

EMASS (tm): An expandable solution for NASA space data storage needs

The data acquisition, distribution, processing, and archiving requirements of NASA and other U.S. Government data centers present significant data management challenges that must be met in the 1990's. The Earth Observing System (EOS) project alone is expected to generate daily data volumes greater than 2 Terabytes (2(10)(exp 12) Bytes). As the scientific community makes use of this data their work product will result in larger, increasingly complex data sets to be further exploited and managed. The challenge for data storage systems is to satisfy the initial data management requirements with cost effective solutions that provide for planned growth. This paper describes the expandable architecture of the E-Systems Modular Automated Storage System (EMASS (TM)), a mass storage system which is designed to support NASA's data capture, storage, distribution, and management requirements into the 21st century.

Peterson, Anthony L.↗

Laue-DIALS: Open-source software for polychromatic x-ray diffraction data

Most x-ray sources are inherently polychromatic. Polychromatic (“pink”) x-rays provide an efficient way to conduct diffraction experiments as many more photons can be used and large regions of reciprocal space can be probed without sample rotation during exposure—ideal conditions for time-resolved applications. Analysis of such data is complicated, however, causing most x-ray facilities to discard >99% of x-ray photons to obtain monochromatic data. Key challenges in analyzing polychromatic diffraction data include lattice searching, indexing and wavelength assignment, correction of measured intensities for wavelength-dependent effects, and deconvolution of harmonics. We recently described an algorithm, Careless, that can perform harmonic deconvolution and correct measured intensities for variation in wavelength when presented with integrated diffraction intensities and assigned wavelengths. Here, we present Laue-DIALS, an open-source software pipeline that indexes and integrates polychromatic diffraction data. Laue-DIALS is based on the dxtbx toolbox, which supports the DIALS software commonly used to process monochromatic data. As such, Laue-DIALS provides many of the same advantages: an open-source, modular, and extensible architecture, providing a robust basis for future development. We present benchmark results showing that Laue-DIALS, together with Careless, provides a suitable approach to the analysis of polychromatic diffraction data, including for time-resolved applications.

97 MATHEMATICS AND COMPUTING↗