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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 55 records · Page 3

Multivariate Data EXplorer (MDX)

The MDX toolkit facilitates exploratory data analysis and visualization of multivariate datasets. MDX provides and interactive graphical user interface to load, explore, and modify multivariate datasets stored in tabular forms. MDX uses an extended version of the parallel coordinates plot and scatterplots to represent the data. The user can perform rapid visual queries using mouse gestures in the visualization panels to select rows or columns of interest. The visualization panel provides coordinated multiple views whereby selections made in one plot are propagated to the other plots. Users can also export selected data or reconfigure the visualization panel to explore relationships between columns and rows in the data.

Steed, Chad Allen↗

Statistical projections for multi-dimensional visual data exploration

When working with large, multidimensional and multivariate data, science users are frequently interested in understanding variation in data, as opposed to the actual data values. Our work focuses on exploring how a simple statistical metric, the Coefficient of Variation (or Cv), can be used in several different ways to facilitate understanding variation in large data. As a statistical measure, it offers a key advantage over more widely accepted measures like standard deviation, namely to its ability to capture local variation properties. As a multidimensional projection operator, Cv is an effective way of reducing data size while preserving the key variational signal. Visualizations produced from Cv that target conveying variation in data are highly informative, especially compared to those produced with more widely known methods. We demonstrate these ideas within the context of a two-part application case study focusing on understanding long-Term trends in the the changes in precipitation and winds in large-scale climate model ensemble output.

Nguyen, H↗

VEDA Visualization Exploration & Data Analysis

Why? - Interdisciplinary science depends on large amount of Earth science data and computational resources - Working with these datasets is non-trivial - Big data science requires advanced distributed computing knowledge What? VEDA is an open platform that brings key Earth science datasets next to open source tools for data processing, analysis, visualization, and exploration in a managed and more accessible computing environment.

Manil Maskey↗

Faraday: A High-temperature Electrolysis Data Explorer

Faraday is a high-temperature electrolysis data visualization tool, which reveals the performance of various button cells under test conditions. These tests and the resulting analytics on their data constitute a state of the industry as the US Department of Energy pushes for the production of hydrogen. Faraday leverages the Idaho National Laboratory's DeepLynx data warehouse to standardize and query button cell data. Faraday programmatically accesses this data in DeepLynx by traversing the schema, represented by a custom ontology. The user interface queries DeepLynx for timeseries data associated with specific button cells in the warehouse, and renders them using JavaScript charts. Additional charting and data analysis techniques are made possible by an auxiliary Python server.

Woodruff, Nathan↗

Analysis of Selected Publicly Available Geothermal Exploration Data Gaps

As part of a United States Department of Energy (DOE) supported retrospective analysis of DOE's Play Fairway Analysis (PFA) projects, the National Renewable Energy Laboratory (NREL) compiled and analyzed publicly available geothermal exploration datasets to identify and highlight data gaps in areas prospective for hosting geothermal resources. The analysis was intended to understand the existing geographic coverage of selected datasets commonly utilized both by the PFA projects and geothermal developers during resource assessments including geologic mapping, temperature gradient drilling, and aeromagnetic, gravimetric, and lidar surveys. Results indicate that broad areas of the western United States estimated to have geothermal potential lack sufficient geologic and geophysical coverage necessary for even regional resource exploration. The study directly informed the recent Geoscience Data Acquisition for Western Nevada, or GeoDAWN - which united DOE's Geothermal Technologies Office (GTO) with the U.S. Geological Survey (USGS) of the U.S. Department of the Interior to assist U.S. needs for energy and critical minerals. The study also has the potential to inform public investment in further data acquisition for characterization of the Earth both for geothermal and other natural resource assessments.

data↗

A Web-based Collaborative Tool for Mars Analog Data Exploration

Solving today's complex research and modeling challenges are dependent on our ability to discover, access, integrate, and share information from multiple sources. The planetary sciences community is no exception'; over the last few years, the need for data mining and exploration tools that can expedite comparative studies between Martian and terrestrial analogs sites and aid the interpretation of Mars data sets has become evident. Data sharing maximizes scientific return from studies and data sets.

Necsoiu, M.↗

Plans for the extreme ultraviolet explorer data base

The paper presents an approach for storage and fast access to data that will be obtained by the Extreme Ultraviolet Explorer (EUVE), a satellite payload scheduled for launch in 1991. The EUVE telescopes will be operated remotely from the EUVE Science Operation Center (SOC) located at the University of California, Berkeley. The EUVE science payload consists of three scanning telescope carrying out an all-sky survey in the 80-800 A spectral region and a Deep Survey/Spectrometer telescope performing a deep survey in the 80-250 A spectral region. Guest Observers will remotely access the EUVE spectrometer database at the SOC. The EUVE database will consist of about 2 X 10 to the 10th bytes of information in a very compact form, very similar to the raw telemetry data. A history file will be built concurrently giving telescope parameters, command history, attitude summaries, engineering summaries, anomalous events, and ephemeris summaries.

Marshall, Herman L.↗

Interactive data exploration and particle tracking for general circulation models

The SCENE environment for interactive visualization of complex data sets is discussed. This environment is used to create tools for graphical exploration of atmospheric flow models. These tools may be extended by the user in a seamless manner, so that no programming is required. A module for accurately tracing field lines and particle trajectories in SCENE is presented. This is used to examine the flowfield qualitatively with streamlines and pathlines and to identify critical points in the velocity field. The paper also describes a visualization tool for general circulation models on which the primary features of the environment are demonstrated.

Rosenbaum, R. I.↗

High-throughput predictions of metal–organic framework electronic properties: theoretical challenges, graph neural networks, and data exploration

Abstract With the goal of accelerating the design and discovery of metal–organic frameworks (MOFs) for electronic, optoelectronic, and energy storage applications, we present a dataset of predicted electronic structure properties for thousands of MOFs carried out using multiple density functional approximations. Compared to more accurate hybrid functionals, we find that the widely used PBE generalized gradient approximation (GGA) functional severely underpredicts MOF band gaps in a largely systematic manner for semi-conductors and insulators without magnetic character. However, an even larger and less predictable disparity in the band gap prediction is present for MOFs with open-shell 3 d transition metal cations. With regards to partial atomic charges, we find that different density functional approximations predict similar charges overall, although hybrid functionals tend to shift electron density away from the metal centers and onto the ligand environments compared to the GGA point of reference. Much more significant differences in partial atomic charges are observed when comparing different charge partitioning schemes. We conclude by using the dataset of computed MOF properties to train machine-learning models that can rapidly predict MOF band gaps for all four density functional approximations considered in this work, paving the way for future high-throughput screening studies. To encourage exploration and reuse of the theoretical calculations presented in this work, the curated data is made publicly available via an interactive and user-friendly web application on the Materials Project.

36 MATERIALS SCIENCE↗

Volumetric Data Exploration with Machine Learning-Aided Visualization in Neutron Science

Recent advancements in neutron and X-ray sources, instrumentation and data collection modes have significantly increased the experimental data size (which could easily contain 108–1010 data points), so that conventional volumetric visualization approaches become inefficient for both still imaging and interactive OpenGL rendition in a 3D setting. We introduce a new approach based on the unsupervised machine learning algorithm, Density-Based Spatial Clustering of Applications with Noise (DBSCAN), to efficiently analyze and visualize large volumetric datasets. Here we present two examples of analyzing and visualizing datasets from the diffuse scattering experiment of a single crystal sample and the tomographic reconstruction of a neutron scanning of a turbine blade. We found that by using the intensity as the weighting factor in the clustering process, DBSCAN becomes very effective in de-noising and feature/boundary detection, and thus enables better visualization of the hierarchical internal structures of the neutron scattering data.

Hui, Yawei↗

Statistical Projections for Multi-resolution, Multi-dimensional Visual Data Exploration and Analysis

An ongoing challenge in visual exploration and analysis of large, multi-dimensional datasets is how to present useful, concise information to a user for some specific visualization tasks. Typical approaches to this problem have proposed either reduced-resolution versions of data, or projections of data, or both. These approaches still have some limitations such as consuming high computation or suffering from errors. In this work, we explore the use of a statistical metric as the basis for both projections and reduced-resolution versions of data, with a particular focus on preserving one key trait in data, namely variation. We use two different case studies to explore this idea, one that uses a synthetic dataset, and another that uses a large ensemble collection produced by an atmospheric modeling code to study long-term changes in global precipitation. The primary findings of our work are that in terms of preserving the variation signal inherent in data, that using a statistical measure more faithfully preserves this key characteristic across both multi-dimensional projections and multi-resolution representations than a methodology based upon averaging.

54 ENVIRONMENTAL SCIENCES↗

Open Humans: A platform for participant-centered research and personal data exploration

Background: Many aspects of our lives are now digitized and connected to the internet. As a result, individuals are now creating and collecting more personal data than ever before. This offers an unprecedented chance for human-participant research ranging from the social sciences to precision medicine. With this potential wealth of data comes practical problems (e.g., how to merge data streams from various sources), as well as ethical problems (e.g., how best to balance risks and benefits when enabling personal data sharing by individuals). Results: To begin to address these problems in real time, we present Open Humans, a community-based platform that enables personal data collections across data streams, giving individuals more personal data access and control of sharing authorizations, and enabling academic research as well as patient-led projects. We showcase data streams that Open Humans combines (e.g., personal genetic data, wearable activity monitors, GPS location records, and continuous glucose monitor data), along with use cases of how the data facilitate various projects. Conclusions: Open Humans highlights how a community-centric ecosystem can be used to aggregate personal data from various sources, as well as how these data can be used by academic and citizen scientists through practical, iterative approaches to sharing that strive to balance considerations with participant autonomy, inclusion, and privacy.

59 BASIC BIOLOGICAL SCIENCES↗

Characterizing Signatures of Geothermal Exploration Data with Machine Learning Techniques: An Application to the Nevada Play Fairway Analysis

We are introducing machine learning methods to the play fairway analysis to generate geothermal potential maps to support the evaluation of geothermal resource potential and the exploration for undiscovered blind geothermal systems in the Nevada Great Basin region. Our project aims to identify new ways to combine the play fairway data and empirically organize relationships between feature weights and labels in an improved workflow. As a means of doing this, we introduce machine learning methods to evaluate the influence of certain geological and geophysical features/feature sets in predicting geothermal favorability. This report highlights promising approaches based on supervised and unsupervised learning methods. First, we demonstrate a filter method applied to supervised classification modeling. The supervised filter method is based on permutation analysis to evaluate every possible feature combination/drop out scenario and rank feature influence based on the performance variance of supervised classification models. Additionally, we present an unsupervised factor analysis based on principal component analysis coupled with a semi-supervised kmeans clustering algorithm. This analysis allows us to identify the optimal number of groups/clusters for training sites and structural settings to identify feature patterns including correlation, variance, and latent and dominant feature relationships. The results from these methods offer a promising avenue for identifying favorable sources of predictive information to identify the locations of blind geothermal systems and furthering our understanding of complex geothermal feature and label relationships in the Great Basin region and beyond.

15 GEOTHERMAL ENERGY↗

Data-Intensive Science meets Inquiry-Driven Pedagogy: Interactive Big Data Exploration, Threshold Concepts, and Liminality

Threshold concepts in any discipline are the core concepts an individual must understand in order to master a discipline. By their very nature, these concepts are troublesome, irreversible, integrative, bounded, discursive, and reconstitutive. Although grasping threshold concepts can be extremely challenging for each learner as s/he moves through stages of cognitive development relative to a given discipline, the learner's grasp of these concepts determines the extent to which s/he is prepared to work competently and creatively within the field itself. The movement of individuals from a state of ignorance of these core concepts to one of mastery occurs not along a linear path but in iterative cycles of knowledge creation and adjustment in liminal spaces - conceptual spaces through which learners move from the vaguest awareness of concepts to mastery, accompanied by understanding of their relevance, connectivity, and usefulness relative to questions and constructs in a given discipline. For example, challenges in the teaching and learning of atmospheric science can be traced to threshold concepts in fluid dynamics. In particular, Dynamic Meteorology is one of the most challenging courses for graduate students and undergraduates majoring in Atmospheric Science. Dynamic Meteorology introduces threshold concepts - those that prove troublesome for the majority of students but that are essential, associated with fundamental relationships between forces and motion in the atmosphere and requiring the application of basic classical statics, dynamics, and thermodynamic principles to the three dimensionally varying atmospheric structure. With the explosive growth of data available in atmospheric science, driven largely by satellite Earth observations and high-resolution numerical simulations, paradigms such as that of dataintensive science have emerged. These paradigm shifts are based on the growing realization that current infrastructure, tools and processes will not allow us to analyze and fully utilize the complex and voluminous data that is being gathered. In this emerging paradigm, the scientific discovery process is driven by knowledge extracted from large volumes of data. In this presentation, we contend that this paradigm naturally lends to inquiry-driven pedagogy where knowledge is discovered through inductive engagement with large volumes of data rather than reached through traditional, deductive, hypothesis-driven analyses. In particular, data-intensive techniques married with an inductive methodology allow for exploration on a scale that is not possible in the traditional classroom with its typical problem sets and static, limited data samples. In addition, we identify existing gaps and possible solutions for addressing the infrastructure and tools as well as a pedagogical framework through which to implement this inductive approach.

Ramachandran, Rahul↗

PARLO: PArallel Run-Time Layout Optimization for Scientific Data Explorations with Heterogeneous Access Patterns

The size and scope of cutting-edge scientific simulations are growing much faster than the I/O and storage capabilities of their run-time environments. The growing gap is exacerbated by exploratory, data-intensive analytics, such as querying simulation data with multivariate, spatio-temporal constraints, which induces heterogeneous access patterns that stress the performance of the underlying storage system. Previous work addresses data layout and indexing techniques to improve query performance for a single access pattern, which is not sufficient for complex analytics jobs. We present PARLO a parallel run-time layout optimization framework, to achieve multi-level data layout optimization for scientific applications at run-time before data is written to storage. The layout schemes optimize for heterogeneous access patterns with user-specified priorities. PARLO is integrated with ADIOS, a high-performance parallel I/O middleware for large-scale HPC applications, to achieve user-transparent, light-weight layout optimization for scientific datasets. It offers simple XML-based configuration for users to achieve flexible layout optimization without the need to modify or recompile application codes. Experiments show that PARLO improves performance by 2 to 26 times for queries with heterogeneous access patterns compared to state-of-the-art scientific database management systems. Compared to traditional post-processing approaches, its underlying run-time layout optimization achieves a 56% savings in processing time and a reduction in storage overhead of up to 50%. PARLO also exhibits a low run-time resource requirement, while also limiting the performance impact on running applications to a reasonable level.

Computer Science↗

Legacy Metal Fuel Data Exploration for Commercial Scale-Up

This work was based DOE-NE GAIN small buisness voucher award to Argonne. Argonne has started the CRADA activities with discussing information regarding Oklo's specific fast reactor design, and established the key fuel design data needs to support Oklo's licensing related activities. It was established that Oklo's design utilizes metallic fuel, and that their data needs are focused on data relevant to the fuel system irradiations at EBR-II to specific fuel burnup range.. Those data were part of the existing metallic fuel irradiation database available at Argonne.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

PARLO: PArallel Run-Time Layout Optimization for Scientific Data Explorations with Heterogeneous Access Pattern

Download Citation Email Print Request Permissions Save to Project The size and scope of cutting-edge scientific simulations are growing much faster than the I/O and storage capabilities of their run-time environments. The growing gap is exacerbated by exploratory, data-intensive analytics, such as querying simulation data with multivariate, spatio-temporal constraints, which induces heterogeneous access patterns that stress the performance of the underlying storage system. Previous work addresses data layout and indexing techniques to improve query performance for a single access pattern, which is not sufficient for complex analytics jobs. We present PARLO a parallel run-time layout optimization framework, to achieve multi-level data layout optimization for scientific applications at run-time before data is written to storage. The layout schemes optimize for heterogeneous access patterns with user-specified priorities. PARLO is integrated with ADIOS, a high-performance parallel I/O middleware for large-scale HPC applications, to achieve user-transparent, light-weight layout optimization for scientific datasets. It offers simple XML-based configuration for users to achieve flexible layout optimization without the need to modify or recompile application codes. Experiments show that PARLO improves performance by 2 to 26 times for queries with heterogeneous access patterns compared to state-of-the-art scientific database management systems. Compared to traditional post-processing approaches, its underlying run-time layout optimization achieves a 56% savings in processing time and a reduction in storage overhead of up to 50%. PARLO also exhibits a low run-time resource requirement, while also limiting the performance impact on running applications to a reasonable level.

Gong, Zhenhuan↗