Data-Driven Artificial Intelligence for Calibration of Hyperspectral Big Data
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Data Driven Smart Proxy for CFD: Application of Big Data Analytics & Machine Learning in Computational Fluid Dynamics (Part 1)
Simulation technologies can reduce the time and cost of the development and deployment of advanced technologies and allow rapid scale-up of these technologies for fossil fuel based energy systems. However, to ensure their usefulness in practice, the credibility of the simulations needs to be established with Uncertainty Quantification (UQ) methods. National Energy Technology Laboratory (NETL) has been applying non-intrusive UQ methodologies to categorize and quantify uncertainties in CFD simulations of gas-solid multiphase flows. To reduce the computational cost associated with gas-solid flow simulations required for UQ analysis, techniques commonly used in the area of Artificial Intelligence (AI) and Data Mining (DM) are used to construct smart proxy models, which can reduce the computational cost of conducting large number of multiphase CFD simulations.
97 MATHEMATICS AND COMPUTING↗
Data Driven Smart Proxy for CFD Application of Big Data Analytics & Machine Learning in Computational Fluid Dynamics, Report Two: Model Building at the Cell Level
To ensure the usefulness of simulation technologies in practice, their credibility needs to be established with Uncertainty Quantification (UQ) methods. In this project, smart proxy is introduced to significantly reduce the computational cost of conducting large number of multiphase CFD simulations, which is typically required for non-intrusive UQ analysis. Smart proxy for CFD models are developed using pattern recognition capabilities of Artificial Intelligence (AI) and Data Mining (DM) technologies. Several CFD simulation runs with different inlet air velocities for a rectangular fluidized bed are used to create a smart CFD proxy that is capable of replicating the CFD results for the entire geometry and inlet velocity range. The smart CFD proxy is validated with blind CFD runs (CFD runs that have not played any role during the development of the smart CFD proxy). The developed and validated smart CFD proxy generates its results in seconds with reasonable error (less than 10%). Upon completion of this project, UQ studies that rely on hundreds or thousands of smart CFD proxy runs can be accomplished in minutes. Following figure demonstrates a validation example (blind CFD run) showing the results from the MFiX simulation and the smart CFD proxy for pressure distribution across a fluidized bed at a given time-step (the layer number corresponds to the vertical location in the bed).
97 MATHEMATICS AND COMPUTING↗
Data Driven Smart Proxy for CFD Application of Big Data Analytics & Machine Learning in Computational Fluid Dynamics, Part Three: Model Building at the Layer Level
To ensure the usefulness of simulation technologies in practice, their credibility needs to be established with Uncertainty Quantification (UQ) methods. In this project smart proxy is introduced to significantly reduce the computational cost of conducting large number of multiphase CFD simulations. Smart proxy for CFD models are developed using pattern recognition capabilities of Artificial Intelligence (AI), Machine Learning (LM) and Data Mining (DM) technologies. Several CFD simulation runs with different inlet air velocities for a rectangular fluidized bed are used to create a smart CFD proxy that is capable of replicating the CFD results for a wide variety of inlet velocities. The smart CFD proxy is validated with blind CFD runs (CFD runs that have not played any role during the development [training, calibration and validation] of the smart CFD proxy). In our earlier work, CFD data was used to train ANN at the cell level. That is an ANN was trained for each computational cell used in the CFD simulations. In the present work, the ANN is constructed and trained based on cross sectional area average of each variable, such as pressure, velocities and volume fraction (Layer Level). This leads to improvements in the training time at the expense of less spatial resolution. The resulting trained ANN provides spatially average value of parameters of interest, along the length of the fluidized bed. Upon completion of this project, UQ studies that rely on hundreds or thousands of smart CFD proxy runs can be accomplished in minutes. Following figure demonstrates a validation example (blind CFD run) showing the results from the MFiX and the smart CFD proxy for pressure drop across a fluidized bed at time-step of 1400 (the layer number corresponds to the vertical location in the bed).
97 MATHEMATICS AND COMPUTING↗
Big Data Challenges at CCMC
Like other research centers, the Community Coordinated Modeling Center (CCMC, https://ccmc.gsfc.nasa.gov) at NASA Goddard Space Flight Center (GSFC) is also experiencing the big data challenges. CCMC hosts over 80 space weather models for Runs On Request (ROR), Continuous Runs and Instant Runs simulation services for the research community. In addition, CCMC has started to support simulation output onboarding in response to the Open Science initiative. Overall, we have accumulated over petabytes of simulation output data and are rapidly growing. In this presentation, we will discuss our data and storage challenges. We will present our attempts to address our challenges and any associated lessons learned. CCMC uses Apache Airflow to ensure data transfer is consistent. We will give a brief overview on how we leverage Apache Airflow to enhance our environment.
space weather↗
Big Data Challenges for Large Radio Arrays
Future large radio astronomy arrays, particularly the Square Kilometre Array (SKA), will be able to generate data at rates far higher than can be analyzed or stored affordably with current practices. This is, by definition, a "big data" problem, and requires an end-to-end solution if future radio arrays are to reach their full scientific potential. Similar data processing, transport, storage, and management challenges face next-generation facilities in many other fields.
Combining↗
Big Data Challenges at the Community Coordinated Modeling Center (CCMC)
Like other research centers, the Community Coordinated Modeling Center (CCMC, https://ccmc.gsfc.nasa.gov) at NASA Goddard Space Flight Center (GSFC) is also experiencing the big data challenges. CCMC hosts over 80 space weather models for Runs On Request (ROR), Continuous Runs and Instant Runs simulation services for the research community. In addition, CCMC has started to support simulation output onboarding in response to the Open Science initiative. Overall, we have accumulated over petabytes of simulation output data and are rapidly growing. In this presentation, we will discuss our data and storage challenges. We will present our attempts to address our challenges and any associated lessons learned. CCMC uses Apache Airflow to ensure data transfer is consistent. We will give a brief overview on how we leverage Apache Airflow to enhance our environment.
space weather↗
Big Data Analytics and Machine Intelligence Capability Development at NASA Langley Research Center: Strategy, Roadmap, and Progress
In 2014, a team of researchers, engineers and information technology specialists at NASA Langley Research Center developed a Big Data Analytics and Machine Intelligence Strategy and Roadmap as part of Langley's Comprehensive Digital Transformation Initiative, with the goal of identifying the goals, objectives, initiatives, and recommendations need to develop near-, mid- and long-term capabilities for data analytics and machine intelligence in aerospace domains. Since that time, significant progress has been made in developing pilots and projects in several research, engineering, and scientific domains by following the original strategy of collaboration between mission support organizations, mission organizations, and external partners from universities and industry. This report summarizes the work to date in Data Intensive Scientific Discovery, Deep Content Analytics, and Deep Q&A projects, as well as the progress made in collaboration, outreach, and education. Recommendations for continuing this success into future phases of the initiative are also made.
Ambur, Manjula Y.↗
Big Data Mining for Applied Energy Savings in Buildings
Residential and commercial buildings in China, India, the United States (US), United Kingdom (UK), and Italy consume 39-45% of each nation's primary energy (approximately 73% of electricity). Building energy models can be used to automatically optimize the return-on-investment for retrofits to improve a building’s energy efficiency. However, with an average of 3,000 building descriptors necessary to accurately simulate a single building, there is a market need to reduce the transaction cost for creating a simulatable model for every building in a city and calibrate the models to utility data prior to capital expenditures. Oak Ridge National Laboratory has utilized two of the world’s fastest supercomputers, assembled unique datasets, and developed innovative algorithms for big data mining to produce the Automatic detection and creation of Building Energy Models (AutoBEM) technology for urban-scale energy modeling. The project developed the world’s most accurate method for determining building footprints from satellite imagery and the world’s fastest building energy model generator. The team has also leveraged a total of eight supercomputers to analyze the best methods, metrics, and algorithms for calibrating building models to measured data within 4% of hourly electricity use; well beyond current industry standards necessary for private-sector financing. The project developed the world’s fastest buildings simulator, over 8 million simulations totaling over 200TB, and mined this data with over 130,000 parallel artificial intelligence algorithmic instances to develop the world’s best calibration algorithm in terms of accuracy, runtime, and robustness.
New, Joshua↗
A mathematical assessment of the isolation random forest method for anomaly detection in big data
We present the mathematical analysis of the Isolation Random Forest Method (IRF Method) for anomaly detection, proposed by Liu F.T., Ting K.M. and Zhou Z. H. in their seminal work as a heuristic method for anomaly detection in Big Data. We prove that the IRF space can be endowed with a probability induced by the Isolation Tree algorithm (iTree). In this setting, the convergence of the IRF method is proved, using the Law of Large Numbers. Here, a couple of counterexamples are presented to show that the method is inconclusive and no certificate of quality can be given, when using it as a means to detect anomalies. Hence, an alternative version of the method is proposed whose mathematical foundation is fully justified. Furthermore, a criterion for choosing the number of sampled trees needed to guarantee confidence intervals of the numerical results is presented. Finally, numerical experiments are presented to compare the performance of the classic method with the proposed one.
97 MATHEMATICS AND COMPUTING↗
Big Data Analysis of Synchrophasor Data: Outcomes of Research Activities Supported by DOE FOA 1861
This report describes the key outcomes of research activities sponsored by the Department of Energy’s Funding Opportunity Announcement (FOA) number 1861 that was aimed at advancing the state-of-the-art in big data analytics applied to transmission-level synchrophasor measurements. The FOA resulted in eight research grants where the awardees developed machine learning and artificial intelligence tools and approaches. The commonalities in tools and approaches used by the awardees are explored, and insights gained from how the project outcomes might be operationalized are discussed. This report does not seek to comprehensively summarize all research supported by the FOA, rather it focuses on enabling the fast dissemination of major findings to the broader power systems community.
96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗
IN13B-1660: Analytics and Visualization Pipelines for Big Data on the NASA Earth Exchange (NEX) and OpenNEX
We are developing capabilities for an integrated petabyte-scale Earth science collaborative analysis and visualization environment. The ultimate goal is to deploy this environment within the NASA Earth Exchange (NEX) and OpenNEX in order to enhance existing science data production pipelines in both high-performance computing (HPC) and cloud environments. Bridging of HPC and cloud is a fairly new concept under active research and this system significantly enhances the ability of the scientific community to accelerate analysis and visualization of Earth science data from NASA missions, model outputs and other sources. We have developed a web-based system that seamlessly interfaces with both high-performance computing (HPC) and cloud environments, providing tools that enable science teams to develop and deploy large-scale analysis, visualization and QA pipelines of both the production process and the data products, and enable sharing results with the community. Our project is developed in several stages each addressing separate challenge - workflow integration, parallel execution in either cloud or HPC environments and big-data analytics or visualization. This work benefits a number of existing and upcoming projects supported by NEX, such as the Web Enabled Landsat Data (WELD), where we are developing a new QA pipeline for the 25PB system.
visualization↗
Data-Intensive Science Meets Inquiry-Driven Pedagogy: Interactive Big Data Exploration, Threshold Concepts, and Liminality
No abstract available
Data Intensive Science↗
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↗
Next Generation Big Data Storage for Long Space Missions
This paper presents the results of the HELIOS (Hardened Extremely Long Life In-formation Optical Storage) mission on the International Space Station (ISS) which tested a unique solution for the long-term storage and retrieval of data in space. For this mission Creative Technology (CTech) developed test media—termed WORF (Write Once, Read Forever)—to validate whether this patented technology will survive all critical parameters for harsh space-based environments including microgravity and ionizing radiation. The HELIOS experiment confirmed that the WORF media is impervious to ionizing radiation, microgravity, solar (plasma) eruptions, and the stress from 8 Gs of the launch including extreme temperature expo-sure. The principal results indicate that there has been no discernible degradation of the media after 8 months on the ISS as compared to a control set of media stored on the ground. This data validated the media’s survivability for harsh space environments for long-term and deep space missions. In addition to the space environment, we are confident that WORF technology can be used for data storage where space-related and other long-term or archival integrity is critical such as: geospatial collections from satellites; space weather archives; past, ongoing, and future space mission media and documentation files; the deep space Gate-way program; as well as Big Data applications such as the Vera C. Rubin astronomical observatory (formerly the LSST). WORF technology for the HELIOS experiment uses a proven archival media, redesigned, re-purposed and patented by CTech to store digital data for long periods, measured in decades and possibly centuries. The media stores standing waves embedded in a substrate that capture the precise col-ors or wavelengths projected onto the media. The colors represent numerical data, with each data location storing multiple superimposed wavelengths, which facilitate the storage of multiple data bytes (rather than just zeros and ones); advanced mathematical permutations allow for extremely large data density equal to or greater than contemporary data storage de-vices. These colors cannot fade or degrade over time since the standing waves are physically stabilized (fully oxidized) metallic silver; no dyes are embedded for this storage system, and silver ions resist micro-bacterial and fungal contamination
Rodney Grubbs↗
Enabling deeper learning on big data for materials informatics applications
Abstract The application of machine learning (ML) techniques in materials science has attracted significant attention in recent years, due to their impressive ability to efficiently extract data-driven linkages from various input materials representations to their output properties. While the application of traditional ML techniques has become quite ubiquitous, there have been limited applications of more advanced deep learning (DL) techniques, primarily because big materials datasets are relatively rare. Given the demonstrated potential and advantages of DL and the increasing availability of big materials datasets, it is attractive to go for deeper neural networks in a bid to boost model performance, but in reality, it leads to performance degradation due to the vanishing gradient problem. In this paper, we address the question of how to enable deeper learning for cases where big materials data is available. Here, we present a general deep learning framework based on Individual Residual learning (IRNet) composed of very deep neural networks that can work with any vector-based materials representation as input to build accurate property prediction models. We find that the proposed IRNet models can not only successfully alleviate the vanishing gradient problem and enable deeper learning, but also lead to significantly (up to 47%) better model accuracy as compared to plain deep neural networks and traditional ML techniques for a given input materials representation in the presence of big data.
36 MATERIALS SCIENCE↗
A Scalable Graph Analytics Framework for Programming with Big Data in R (pbdR)
Many disciplines such as biology, economics, engineering, physics, and the social sciences represent their data as graphs to capture patterns, trends, and associations. There are are many commercially available graph libraries in different programming languages to analyze these complex graphs. But there is no distributed graph library package in R - the popular statistical programming language to analyze graphs that bigger than a single machine's memory. Many domain experts prefer R over the numerous other alternatives. Towards this, we present a distributed graph analytics framework for R called programming with big graph using R (pBGR.) Our proposed framework leverages the Programming with Big Data in R (pbdR) ecosystem that provides scalable R packages for distributed computing in data science. We present an early prototype implementation of this framework using the distributed-memory parallel graph library CombBLAS and evaluate the framework's performance on leadership class computing platforms. Our experimental results demonstrate that the proposed framework is capable of performing large-scale parallel graph mining through the easyto-use R language. This enhanced graph processing capability coupled with other statistical tools already available in R, should be valuable to many domain experts.
Hasan, S M Shamimul↗
Digital archives, big data and image-based culturomics for social impact assessment: Opportunities and challenges
Social impact assessment (SIA) is well-established but uses conventional approaches that have become less effective in recent decades, particularly in relation to declining survey response rates and a lack of youth engagement. Images from digital archives and social media sources are poised to advance the research and practice of SIA by transcending text-based methods with insights into changing landscapes, and human engagement with them. This viewpoint describes progress, challenges and cautions toward the development of such tools (defined as culturomics), using hydroelectricity cases to illustrate potential approaches. These tools build on foundational work in a range of disciplines, including the humanities and computer science. We describe necessary advances in machine learning, image digitization, and data aggregation and visualization techniques, as well as ways to ensure that such tools are carefully tested, applied and interpreted. Challenges include the automation, acquisition and management of datasets, and using these tools appropriately and equitably. Critically, culturomics of any kind must not be used as a replacement for engagement with people, but as complementary to inclusive stakeholder engagement. - Highlights: •Image-based digital archives and social media present opportunities for new SIA tools. •Application-ready big data approaches are emerging across many fields. •SIA scholars, practitioners and stakeholders should engage with culturomics. •Challenges include automation, digitization, interpretation and justice. •Culturomics of any kind must not replace engagement with people.
46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗