Data Mining Climate Variability as an Indicator of U.S. Natural Gas
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Two-dimensional (2D) materials have been a hot research topic in the last decade, due to novel fundamental physics in the reduced dimension and appealing applications. Systematic discovery of functional 2D materials has been the focus of many studies. Here, we present a large dataset of 2D materials, with more than 6,000 monolayer structures, obtained from both top-down and bottom-up discovery procedures. First, we screened all bulk materials in the database of Materials Project for layered structures by a topology-based algorithm and theoretically exfoliated them into monolayers. Then, we generated new 2D materials by chemical substitution of elements in known 2D materials by others from the same group in the periodic table. The structural, electronic and energetic properties of these 2D materials are consistently calculated, to provide a starting point for further material screening, data mining, data analysis and artificial intelligence applications. We present the details of computational methodology, data record and technical validation of our publicly available data (http://www.2dmatpedia.org/).
It is forecast that the Internet of Things (IoT) market will experience significant growth in the coming years, with many expecting compound annual growth rates generally in the mid-20% (Forbes 2017). For lighting manufacturers, this is a tremendous opportunity to revolutionize their products to address the dwindling sales of lamps, once a major revenue stream, and bring new capabilities and services to their customers through luminaires and other lighting system components. For end-users, lighting products of the future may do more than simply provide light, with a cadre of connected sensors and controls that may help them do everything from exploring energy saving opportunities in other building systems to data-mining occupancy data to optimize use of space or increase sales. The focus of this study is to evaluate where the lighting market is today with respect to integrating IoT into its product offerings and end-user experiences with IoT, and in particular with IoT incorporated into lighting systems. The benefits, in terms of energy savings, of encouraging the adoption of connected lighting systems beyond the current solid state lighting (SSL) path to more aggressive DOE SSL Program Goals can result in an additional 33-percent of the LED energy savings, or 1.4 Quads, in 2035 (Navigant 2016).
The most significant challenge facing geothermal research, development, and deployment is a lack of comprehensive datasets describing the geological and economical properties of North America. Automated knowledge base construction, the process of designing algorithms to analyze text and images to programmatically build new datasets, is one possible solution to this problem. The xDD library of full-text scientific articles (https://xdd.wisc.edu) is one of the largest collections of open and controlled-access scientific documents available for knowledge base construction in the world, but it has been underutilized by experts in geothermal research. The xDD development team attributed the lack of engagement by software developers and geothermal researchers to two perceived shortcomings of the system. First, the workflow for obtaining data from xDD for local development and testing of data mining applications was unnecessarily abstruse and required significant manual intervention by xDD systems administrators. Second, although xDD already held articles from a broad cross-section of scientific literature with an emphasis on the geosciences, it did not have an explicit set of geothermal research documents that could serve as the nucleus of a geothermal data mining application. To address these issues, the Automated Data Extraction PlaTform (ADEPT) was proposed to extend the data distribution capabilities of the xDD system. The ADEPT extension added the following four key features to xDD: 1) integration of National Geothermal Data System (NGDS) documents into the xDD library to provide an explicitly geothermally-themed collection; 2) improved RESTful (i.e., https-protocol driven) web services for external partners to access xDD data for machine learning application development; 3) a web platform for end-users and xDD administrators to coordinate the development of data mining applications from the initial step of browsing available documents to the final stage of deploying a production-quality machine learning application on high-throughput computing infrastructure; and 4) the development of demonstration data mining applications to illustrate the new workflow to potential collaborators. A total of 21,674 geothermal documents from NGDS were fully ingested into the xDD library and the associated metadata is publicly available through the xDD web services; furthermore, the ADEPT web platform is now publicly accessible and fully live at https://xdd.wisc.edu/adept/.
Data–driven materials discovery has become increasingly important in identifying materials that exhibit specific, desirable properties from a vast chemical search space. Synergic prediction and experimental validation are needed to accelerate scientific advances related to critical societal applications. A design–to–device study that uses high–throughput screens with algorithmic encodings of structure–property relationships is reported to identify new materials with panchromatic optical absorption, whose photovoltaic device applications are then experimentally verified. The data–mining methods source 9431 dye candidates, which are auto–generated from the literature using a custom text–mining tool. These candidates are sifted via a data–mining workflow that is tailored to identify optimal combinations of organic dyes that have complementary optical absorption properties such that they can harvest all available sunlight when acting as co–sensitizers for dye–sensitized solar cells (DSSCs). Six promising dye combinations are shortlisted for device testing, whereupon one dye combination yields co–sensitized DSSCs with power conversion efficiencies comparable to those of the high–performance, organometallic dye, N719. Here, these results demonstrate how data–driven molecular engineering can accelerate materials discovery for panchromatic photovoltaic or other applications.
Identifying similarities between datasets is a fundamental task in data mining and has become an integral part of modern scientific investigation. Whether the task is to identify co-expressed genes in large-scale expression surveys or to predict combinations of gene knockouts which would elicit a similar phenotype, the underlying computational task is often a multi-dimensional similarity test. As datasets continue to grow, improvements to the efficiency, sensitivity or specificity of such computation will have broad impacts as it allows scientists to more completely explore the wealth of scientific data. A significant practical drawback of large-scale data mining is the vast majority of pairwise comparisons are unlikely to be relevant, meaning that they do not share a signature of interest. It is therefore essential to efficiently identify these unproductive comparisons as rapidly as possible and exclude them from more time-intensive similarity calculations. The Blazing Signature Filter (BSF) is a highly efficient pairwise similarity algorithm which enables extensive data mining within a reasonable amount of time. The algorithm transforms datasets into binary metrics, allowing it to utilize the computationally efficient bit operators and provide a coarse measure of similarity. As a result, the BSF can scale to high dimensionality and rapidly filter unproductive pairwise comparison. Furthermore, two bioinformatics applications of the tool are presented to demonstrate the ability to scale to billions of pairwise comparisons and the usefulness of this approach.
Data mining and knowledge discovery techniques were employed herein to acquire new information on the viscoelastic, flexural, compressive, and tensile properties of vapor-grown carbon nanofiber (VGCNF)/vinyl ester (VE) nanocomposites. Formulation and processing factors (curing environment, presence or absence of dispersing agent, mixing method, VGCNF weight fraction, VGCNF type, high-shear mixing time, and sonication time) and testing temperature were utilized as inputs and the true ultimate strength, true yield strength, engineering elastic modulus, engineering ultimate strength, flexural modulus, flexural strength, storage modulus, loss modulus, and tan delta were selected as outputs. The data mining and knowledge discovery algorithms used in this study include self-organizing maps (SOMs) and clustering techniques. SOMs demonstrated that temperature and tan delta had the most significant effects on the output responses followed by the VGCNF high-shear mixing time, and sonication time. SOMs were also used to produce optimal responses using certain combination(s) of inputs. Fuzzy C-means algorithm (FCM) was also applied to discover patterns in the nanocomposite behavior subsequent to a principal component analysis (PCA), which is a dimensionality reduction technique. Utilizing these techniques, the nanocomposite specimens were separated into different clusters based on the testing temperature (30 °C and 120 °C being the most dominant responses), tan delta, high-shear mixing time, and sonication time. Furthermore, the VGCNF/VE specimens were separated into a cluster based on their viscoelastic responses (storage and loss moduli) at the same temperature. The FCM results indicate that, while all nanocomposite properties in the new framework are essential, the viscoelastic responses of the VGCNF/VE specimens are the most significant. Here this work highlights the utility of data mining and knowledge discovery techniques in the context of materials informatics for the discovery of patterns and trends in the material behavior that are not immediately known.
In July 2018, CMS requested assistance from Oak Ridge National Laboratory (ORNL) to provide expert data science support aimed at developing algorithms for data mining of medical data for operational and payment purposes. The project is intended to be exploratory: work is aimed at alleviating challenges associated with improper payments, specifically audit methodologies and targeting and changes to risk scores. Project goals include developing new, sophisticated methods for audit targeting and improved profile– payment error correlations, specifically focused on Medicare Part C, the program under which MAOs provide health care services to beneficiaries. ORNL conducted RADV analyses against RAPS and EDS data as well as a hospice landscape analysis per a January 2015 dataset that included Medicare beneficiaries who were in hospice in 2017 and 2018. Ongoing work under this project also involves development of predictive models for RADV investigations and hospice landscape.
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Abstract Modern data mining methods have demonstrated effectiveness in comprehending and predicting materials properties. An essential component in the process of materials discovery is to know which material(s) will possess desirable properties. For many materials properties, performing experiments and density functional theory computations are costly and time-consuming. Hence, it is challenging to build accurate predictive models for such properties using conventional data mining methods due to the small amount of available data. Here we present a framework for materials property prediction tasks using structure information that leverages graph neural network-based architecture along with deep-transfer-learning techniques to drastically improve the model’s predictive ability on diverse materials (3D/2D, inorganic/organic, computational/experimental) data. We evaluated the proposed framework in cross-property and cross-materials class scenarios using 115 datasets to find that transfer learning models outperform the models trained from scratch in 104 cases, i.e., ≈90%, with additional benefits in performance for extrapolation problems. We believe the proposed framework can be widely useful in accelerating materials discovery in materials science.
The residential building sector accounts for approximately 37% of total U.S. electricity consumption. Within the residential building sector, heating and cooling is the main target for peak load shifting/reduction since it is the largest contributor to peak demand. In fact, the flexibility of residential HVAC loads can provide continuous variation of demand to provide grid services by varying their demand over a baseline. The performance of HVAC load control to provide grid services relies heavily on the accuracy of indoor air temperature or cooling/heating demand predictions and therefore the quality of building model. Besides forward models, popular building models are data-driven models which can be broken down into two categories: gray-box model, e.g. Resistance-Capacitance (RC) model and black-box model. RC model, also called lumped capacitance or network model, which is constituted with electrical analogue pattern with resistance (R) and capacitance (C). In general, RC models require considerable computation burden and long periods of data to train limited number of model coefficients. Black-box models have gained increasing interest due to their capability in analyzing large-scale data and flexibility in practical applications. But, the data-mining based (machine learning algorithms/techniques based) models tend to have invisible model structures which poses a problem when trying to use the model for optimal control or model predictive control of the HVAC system. Hence, there is a continuing need for efficient online system identification techniques, which can provide explicit parameters for the model. Traditional regression models fit well for this specific purpose. This paper presents an innovative way to predict average indoor temperature in separate floors of typical detached residential house. A rolling horizon linear regression model, which includes online adaptive correction component, is proposed to predict the temperature difference between downstairs and upstairs. A RC model is used to predict the overall mean indoor air temperature. Since the adaptive algorithm needs to be implemented online, a less computation-demanding polynomial fitting algorithm is adopted. This kind of fitting problem can be cast as linear regression problem with multiple variables, parameters of which can be efficiently obtained by well-known gradient descent method.The validation is conducted by comparing the predicted results with the results from data-mining based models as well as measured data from a real typical detached two-floor house. The results show that the developed method has satisfactory performance in predicting the building indoor temperature in 1st and 2nd floors.
Measuring and enabling resiliency of electric distribution systems with increasing weather and cyber events are important. Some of the extreme events (e.g. Earthquakes, Hurricanes) and associated paths are predicted and monitored closely in advance and allow to take pre-event proactive control actions. The Distribution Phasor Measurement Units (D-PMUs) provide new opportunities and supporting such proactive actions. Here, a synchrophasor based resiliency driven pre-event reconfiguration can ensure minimizing impact of the expected event on the power distribution system and associated performance. However, the D-PMUs will also face challenges in terms of data quality similar to the transmission PMUs. The focus of this paper is to provide data mining approaches for anomaly detection in D-PMUs and proposing resiliency-driven pre-event reconfiguration with islanding as a proactive mechanisms to minimize the impact of adverse events on system using processed synchrophasors data. Results are validated for real industrial feeders and test cases with satisfactory response
With recent technology advance in Internet of Things (IoT) that involves human, sensors, and mobile devices, networks are not only growing much larger but more complex and dynamic in nature. The spatiotemporal dynamics of networks are represented by both topological changes and temporal shifts of attribute information associated with network components. Understanding the pattern and trend of dynamic networks is increasingly important. While data mining approaches are generally useful in analyzing the statistical properties of networks, there has been recent trend to consider bringing human into the loop, and to examine how feedback from visualizations of large-scale dynamic networks can further improve data mining and machine learning. Traditional visualization methods based on animation and sequences of snapshot graphs are also limited by human cognitive capability. Here, we present a dynamic network analysis and visualization (DNAV) tool which explores the spatiotemporal dimensions of graph components. In particular, nodes and edges are augmented with spatiotemporal segmentation based on both topological and attribute dynamics (e.g., time and locations of connectivity). To further facilitate analysis of large dynamic networks, DNAV includes statistical dynamic overviews alongside graph views, as well as data filtering modules for scalable analysis. Using case studies on public datasets, we demonstrate the effectiveness of DNAV in understanding and analyzing anomalies in dynamic networks such as computer communication networks.