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At least 1,081 records · Page 60

Unsupervised Machine Learning for Exploratory Data Analysis of Exoplanet Transmission Spectra

Abstract Transit spectroscopy is a powerful tool for decoding the chemical compositions of the atmospheres of extrasolar planets. In this paper, we focus on unsupervised techniques for analyzing spectral data from transiting exoplanets. After cleaning and validating the data, we demonstrate methods for: (i) initial exploratory data analysis, based on summary statistics (estimates of location and variability); (ii) exploring and quantifying the existing correlations in the data; (iii) preprocessing and linearly transforming the data to its principal components; (iv) dimensionality reduction and manifold learning; (v) clustering and anomaly detection; and (vi) visualization and interpretation of the data. To illustrate the proposed unsupervised methodology, we use a well-known public benchmark data set of synthetic transit spectra. We show that there is a high degree of correlation in the spectral data, which calls for appropriate low-dimensional representations. We explore a number of different techniques for such dimensionality reduction and identify several suitable options in terms of summary statistics, principal components, etc. We uncover interesting structures in the principal component basis, namely well-defined branches corresponding to different chemical regimes of the underlying atmospheres. We demonstrate that those branches can be successfully recovered with a K-means clustering algorithm in a fully unsupervised fashion. We advocate for lower-dimensional representations of the spectroscopic data in terms of the main principal components, in order to reveal the existing structure in the data and quickly characterize the chemical class of a planet.

Matchev, Konstantin T. (ORCID:0000000341829096)↗

Determination of Cluster Distances from Chandra Imaging Spectroscopy and Sunyaev-Zeldovich Effect Measurements: Analysis Methods and Initial Results - I

X-ray and Sunyaev-Zeldovich Effect data ca,n be combined to determine the distance to galaxy clusters. High-resolution X-ray data are now available from the Chandra Observatory, which provides both spatial and spectral information, and interferometric radio measurements of the Sunyam-Zeldovich Effect are available from the BIMA and 0VR.O arrays. We introduce a Monte Carlo Markov chain procedure for the joint analysis of X-ray and Sunyaev-Zeldovich Effect data. The advantages of this method are the high computational efficiency and the ability to measure the full probability distribution of all parameters of interest, such as the spatial and spectral properties of the cluster gas and the cluster distance. We apply this technique to the Chandra X-ray data and the OVRO radio data for the galaxy cluster Abell 611. Comparisons with traditional likelihood-ratio methods reveal the robustness of the method. This method will be used in a follow-up paper to determine the distance of a large sample of galaxy clusters for which high-resolution Chandra X-ray and BIMA/OVRO radio data are available.

Bonamente, Massimiliano↗

Advanced Gate Dielectric Materials for Next-Generation Integrated Circuits

The growth of Sr on n-type Si(001) was studied in detail for coverages between 0 and 1 monolayer (ML) using core level photoemission spectroscopy. In a similar manner, the Sr saturation coverage was studied in the 600–925°C temperature range. Data analysis was carried out by a method that allows accurate determination of the band-bending shifts. Using this method it is possible to pinpoint the formation and destruction of chemical species from bungled core level photoemission data without needing to know details of the chemical composition of the spectra. Through this analysis it was established that the interaction between Sr and Si breaks down the binding energy difference between upward and downward Si dimer atoms. In addition, it was found that the saturation coverage exhibits a clear plateau at 1 ML around 650°C, and a slope change at 1/3 ML around 850°C. The surface band bending suffers a discontinuous increase as the Sr coverage surpasses 1 ML and as the low energy electron diffraction symmetry changes from [2x3] to [2x1].

36 MATERIALS SCIENCE↗

Comparison of building energy use data between the United States and China

Buildings in the United States and China consumed 41percent and 28percent of the total primary energy in 2011, respectively. Good energy data are the cornerstone to understanding building energy performance and supporting research, design, operation, and policy making for low energy buildings. This paper presents initial outcomes from a joint research project under the U.S.-China Clean Energy Research Center for Building Energy Efficiency. The goal is to decode the driving forces behind the discrepancy of building energy use between the two countries; identify gaps and deficiencies of current building energy monitoring, data collection, and analysis; and create knowledge and tools to collect and analyze good building energy data to provide valuable and actionable information for key stakeholders. This paper first reviews and compares several popular existing building energy monitoring systems in both countries. Next a standard energy data model is presented. A detailed, measured building energy data comparison was conducted for a few office buildings in both countries. Finally issues of data collection, quality, sharing, and analysis methods are discussed. It was found that buildings in both countries performed very differently, had potential for deep energy retrofit, but that different efficiency measures should apply.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Cost benefit analysis for smart grid projects

The U.S. is unusual in that a definition of the term “smart grid” was written into legislation, appearing in the Energy Independence and Security Act (2007). When the recession called for stimulus spending and the American Recovery and Reinvestment Act (ARRA, 2009) was passed, a framework already existed for identification of smart grid projects. About $4.5B of the U.S. Department of Energy’s (U.S. DOE’s) $37B allocation from ARRA was directed to smart grid projects of two types, investment grants and demonstrations. Matching funds from other sources more than doubled the total value of ARRA-funded smart grid projects. The Smart Grid Investment Grant Program (SGIG) consumed all but $620M of the ARRA funds, which was available for the 32 projects in the Smart Grid Demonstration Program (SGDP, or demonstrations). Given the economic potential of these projects and the substantial investments required, there was keen interest in estimating the benefits of the projects (i.e., quantifying and monetizing the performance of smart grid technologies). Common method development and application, data collection, and analysis to calculate and publicize the benefits were central objectives of the program. For this purpose standard methods and a software tool, the Smart Grid Computational Tool (SGCT), were developed by U.S. DOE and a spreadsheet model was made freely available to grantees and other analysts. The methodology was intended to define smart grid technologies or assets, the mechanisms by which they generate functions, their impacts and, ultimately, their benefits. The SGCT and its application to the Demonstration Projects are described, and actual projects in Southern California and in China are selected to test and illustrate the tool. The usefulness of the methodology and tool for international analyses is then assessed.

24 POWER TRANSMISSION AND DISTRIBUTION↗

libIS: a lightweight library for flexible in transit visualization

As simulations grow in scale, the need for in situ analysis methods to handle the large data produced grows correspondingly. One desirable approach to in situ visualization is in transit visualization. By decoupling the simulation and visualization code, in transit approaches alleviate common difficulties with regard to the scalability of the analysis, ease of integration, usability, and impact on the simulation. We present libIS, a lightweight, flexible library which lowers the bar for using in transit visualization. Our library works on the concept of abstract regions of space containing data, which are transferred from the simulation to the visualization clients upon request, using a client-server model. We also provide a SENSEI analysis adaptor, which allows for transparent deployment of in transit visualization. We demonstrate the flexibility of our approach on batch analysis and interactive visualization use cases on different HPC resources.

97 MATHEMATICS AND COMPUTING↗

Pressure dependence of the melting temperature of metals

A new method for the analysis of the experimental data for the pressure dependence of the melting temperature of metals is presented. The method combines Lindemann's law, the Debye model, and a first-order equation of state with the experimental observation that the Grueneisen parameter divided by the volume is constant. It is observed that, based on these assumptions, in the absence of phase transitions, plots of the logarithm of the normalized melting temperature versus the logarithm of the normalized pressure are straight lines. It is found that the normalized-melting--temperature versus normalized-pressure curves accurately satisfy the linear relationship for Al, Ag, Au, Cs, Cu, K, Na, Pt, and Rb. In addition, this technique provides a sensitive tool for detecting phase transitions.

Schlosser, Herbert↗

ADAPTIVE ANNEALED IMPORTANCE SAMPLING FOR MULTIMODAL POSTERIOR EXPLORATION AND MODEL SELECTION WITH APPLICATION TO EXTRASOLAR PLANET DETECTION

We describe an algorithm that can adaptively provide mixture summaries of multimodal posterior distributions. The parameter space of the involved posteriors ranges in size from a few dimensions to dozens of dimensions. This work was motivated by an astrophysical problem called extrasolar planet (exoplanet) detection, wherein the computation of stochastic integrals that are required for Bayesian model comparison is challenging. The difficulty comes from the highly nonlinear models that lead to multimodal posterior distributions. We resort to importance sampling (IS) to estimate the integrals, and thus translate the problem to be how to find a parametric approximation of the posterior. To capture the multimodal structure in the posterior, we initialize a mixture proposal distribution and then tailor its parameters elaborately to make it resemble the posterior to the greatest extent possible. We use the effective sample size (ESS) calculated based on the IS draws to measure the degree of approximation. The bigger the ESS is, the better the proposal resembles the posterior. A difficulty within this tailoring operation lies in the adjustment of the number of mixing components in the mixture proposal. Brute force methods just preset it as a large constant, which leads to an increase in the required computational resources. We provide an iterative delete/merge/add process, which works in tandem with an expectation-maximization step to tailor such a number online. The efficiency of our proposed method is tested via both simulation studies and real exoplanet data analysis.

79 ASTRONOMY AND ASTROPHYSICS↗

Verification of Sulfate Attack Penetration Rates for Saltstone Disposal Unit Modeling

Recent Special Analysis modeling of Saltstone Disposal Units consider sulfate attack on concrete and utilize degradation rates estimated from Cementitious Barriers Partnership software simulations. This study provides an independent verification of those simulation results using an alternative analysis method and an independent characterization data source. The sulfate penetration depths estimated herein are similar to the best-estimate values in SRNL-STI-2013-00118 Rev. 2 and well below the nominal values subsequently used to define Saltstone Special Analysis base cases.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

TPSAS-NF1676L-32345-DND

Interest in the use of Raman spectrometers has seen an increase in the fields of geology and planetary sciences due to the non-destructive insight Raman spectra may provide into the molecular makeup of a given sample. Advancements in Raman spectrometer hardware have allowed for compact instruments to have deployment capabilities directly on interplanetary missions, flexible usage conditions requiring no sample collection/preparation, and no need for daylight radiation shielding. As the amount of science which can be collected from a Raman spectrometer in a given amount of time increases, a bottleneck will be created in data analysis which leaves a need for a faster method of spectral data classification. Recent studies have shown that machine learning models are able to solve this problem by achieving high-accuracy classification. Liu et al4 found the convolutional neural network (CNN) held the highest classification accuracy (96% top 5) for single sample Raman data.

A Atkinson↗

DrSPINE - New approach to data reduction and analysis for neutron spin echo experiments from pulsed and reactor sources

Neutron spin echo (NSE) method at a pulsed neutron source presents new challenges to the data reduction and analysis as compared to the instruments installed at reactor sources. The main advantage of the pulsed source NSE is the ability to resolve the neutron wavelength and collect neutrons over a wider bandwidth. This allows us to more precisely determine the symmetry phase and measure the data for several Q-values at the same time. Based on the experience gained at the SNS NSE - the first, and to date the only one, NSE instrument installed at a pulsed spallation source, we propose a novel and unified approach to the NSE data processing.

Monkenbusch, Michael↗

A Combined Computer Vision and Deep Learning Approach for Rapid Drone-Based Optical Characterization of Parabolic Troughs

Optical accuracy is a primary driver of parabolic trough concentrating solar power (CSP) plant performance, but can be damaged by wind loads, gravity, error during installation, and regular plant operation. Collecting and analyzing optical measurements over an entire operating parabolic trough plant is difficult, given the large scale of typical installations. Distant Observer, a software tool developed at the National Renewable Energy Laboratory, uses images of the absorber tube reflected in the collector mirror to measure both surface slope in the parabolic mirror and offset of the absorber tube from the ideal focal point. This technology has been adapted for fast data collection using low-cost commercial drones, but until recently still required substantial human labor to process large amounts of data. A new method leveraging advanced deep learning and computer vision tools can drastically reduce the time required to process images. This new method addresses the primary analysis bottleneck, identifying featureless, reflective mirror corner points to a high degree of accuracy. Recent work has shown promising results using computer vision methods. The combined deep learning and computer vision approach presented here proved highly effective and has the potential to further automate data collection and analysis, making the tool more robust. The method presented in this paper automatically identified 74.3% of mirror corners within 2 pixels of their manually marked counterparts and 91.9% within 3 pixels. This level of accuracy is sufficient for practical Distant Observer analysis within a target uncertainty. A commercial drone collected video of over 100 parabolic trough modules at an operating CSP plant to demonstrate the deep learning and computer vision method's usefulness in processing large amounts of data. These troughs were successfully analyzed using Distant Observer, paired with the new deep learning and computer vision algorithm, and can provide plant operators and trough designers with valuable insight about plant performance, operating strategies, and plant-wide optical error trends.

computer vision↗

Methodology to Define Delivery Accuracy Under Current Day ATC Operations

In order to enable arrival management concepts and solutions in a NextGen environment, ground- based sequencing and scheduling functions have been developed to support metering operations in the National Airspace System. These sequencing and scheduling algorithms as well as tools are designed to aid air traffic controllers in developing an overall arrival strategy. The ground systems being developed will support the management of aircraft to their Scheduled Times of Arrival (STAs) at flow-constrained meter points. This paper presents a methodology for determining the undelayed delivery accuracy for current day air traffic control operations. This new method analyzes the undelayed delivery accuracy at meter points in order to understand changes of desired flow rates as well as enabling definition of metrics that will allow near-future ground automation tools to successfully achieve desired separation at the meter points. This enables aircraft to meet their STAs while performing high precision arrivals. The research presents a possible implementation that would allow delivery performance of current tools to be estimated and delivery accuracy requirements for future tools to be defined, which allows analysis of Estimated Time of Arrival (ETA) accuracy for Time-Based Flow Management (TBFM) and the FAA's Traffic Management Advisor (TMA). TMA is a deployed system that generates scheduled time-of-arrival constraints for en- route air traffic controllers in the US. This new method of automated analysis provides a repeatable evaluation of the delay metrics for current day traffic, new releases of TMA, implementation of different tools, and across different airspace environments. This method utilizes a wide set of data from the Operational TMA-TBFM Repository (OTTR) system, which processes raw data collected by the FAA from operational TMA systems at all ARTCCs in the nation. The OTTR system generates daily reports concerning ATC status, intent and actions. Due to its availability, ease of use, and vast collection of data across several airspaces it was determined that the OTTR data set would be the best method to utilize moving forward with this analysis. The particular variables needed for further analysis were determined along with the necessary OTTR reports, by working closely with the repository team additional analysis reports were developed that provided key ETA and STA information at the freeze horizon. One major benefit of the OTTR data is that using the correct reports the data across several airports could be analyzed over large periods of time. The OTTR data processes the TBFM data daily and is stored in various formats across several airspaces. This allowed us to develop our own parsing methods and raw data processing that would not rely on other computationally expensive tools that perform more in depth analysis of similar sets of data. The majority of this work consisted of the development of the ability to filter flights to create a subset of flights that could be considered undelayed, which is defined as a flight at the freeze horizon with an ETA and STA difference that was minimal or close to zero. This was a broad method that allowed the consideration of a large data set which consisted of all the traffic across a two month period in 2013, the hottest and coldest months, arriving into four airports: George Bush Intercontinental, Denver International, Los Angeles International, and Phoenix Sky Harbor.

delivery accuracy↗

Accelerating Multivariate Functional Approximation Computation with Domain Decomposition Techniques⋆

Modeling large datasets through Multivariate Functional Approximations (MFA) provide an elegant way to handle many visualization and scientific analysis workflows. The process necessitates scalable data partitioning methods to compute MFA representations efficiently without compromising the accuracy or continuity of the reconstructed solution. We propose a domain -decomposed method for computing the MFA with B -spline bases, which reduces the total work per task and uses a restricted Additive Schwarz (RAS) method to converge the control point data degrees -of -freedom along subdomain boundaries. We provide an in-depth analysis of the parallel approach with domain decomposition solvers, aiming to minimize local subdomain error residuals and recover high -order continuity at subdomain interfaces with appropriate choices of knot overlaps. The communication cost, determined by the overlap regions in the RAS implementation, is optimized to recover the numerical error profile of the single subdomain case. Our proposed method stands in contrast to previous methods, which typically only recover either C 0 or at best C 1 continuity for arbitrary B -spline degree expansions, or those that require post -processing to blend discontinuities in the reconstructed data. We demonstrate the effectiveness of our approach using analytical and real -world datasets in 1D, 2D, and 3D through both strong and weak scaling studies. The performance results indicate that the overall cost of computing the approximation is directly proportional to the underlying nearest -neighbor communication implementation, and is only weakly dependent on the overlap region size that determines the size of the messages. This finding underscores the efficiency and scalability of our proposed method, making it a promising solution for handling large datasets in scientific workflows.

additive Schwarz solvers↗

Mitigate: An Adaptive Network Data Anonymization Tool Using Condensation-Based Differential Privacy

Modern network devices collect a large amount of data that can be analyzed to identify bottlenecks, anomalies, cyber-attacks, etc. Therefore, there is often a need to analyze such collections of network data quite often by an external expert or by the research community. However, these collections of data contain sensitive, proprietary information. In order for the network data to be shared, it must first be anonymized. The overall objective of this project is to develop an innovative privacy management tool to anonymize network data and achieve sufficient privacy, acceptable data utility, and efficient data analysis at the same time. No existing anonymization methods can achieve all of these at the same time. The core of this technology is a differential private clustering algorithm that provides strong privacy protection, preserves data properties important for subsequent analysis, and allows the party receiving the anonymized data to conduct analysis directly on anonymized data without the need of decryption or any extra processing. The research carried out was to design, implement and verify a solution to this problem by completing the following tasks: 1) developing the core technology; 2) developing a context based method that automatically recommends fields that must be anonymized; 3) conducted experiments showing superior results using our approach compared to existing tools, and 4) developed an intuitive but basic user interface. The research that was conducted generated novel algorithmic techniques that utilize state-of-the-art methods such as condensation, differential privacy preservation, clustering, automated tuning based on contextual awareness, and recommendation techniques to specify columns to users for anonymization leading to optimal privacy that allows research analysis on the dataset. Experiments were conducted to evaluate the efficacy of these novel algorithmic techniques by performing analysis on original non-anonymized datasets, then conducting analysis on the same yet anonymized datasets and comparing the results of the analyses. Overall, the anonymized analysis results were within 1% of the original results, verifying that the generated technology not only guarantees a high level of privacy but also enables research analysis as if it were conducted on the original dataset. Potential applications of this technology include anonymization of any type of structured network datasets that contain sensitive identifiers, such as IP addresses, that can be used in multiple applications. For example, to create an AI or machine learning model for cyber security, e.g., to detect attacks, or for performance analysis, e.g., identify bottlenecks or predict performance. In addition, a market analysis that was conducted for potential applications of this technology identified a broader range of applications of our anonymization technology beyond the network sector that includes healthcare, banking, insurance, securities, finance (FISB), data brokering, cloud services, ad sales, and government.

97 MATHEMATICS AND COMPUTING↗

Topological data analysis and machine learning for recognizing atmospheric river patterns in large climate datasets

Identifying weather patterns that frequently lead to extreme weather events is a crucial first step in understanding how they may vary under different climate change scenarios. Here, we propose an automated method for recognizing atmospheric rivers (ARs) in climate data using topological data analysis and machine learning. The method provides useful information about topological features (shape characteristics) and statistics of ARs. We illustrate this method by applying it to outputs of version 5.1 of the Community Atmosphere Model version 5.1 (CAM5.1) and the reanalysis product of the second Modern-Era Retrospective Analysis for Research and Applications (MERRA-2). An advantage of the proposed method is that it is threshold-free – there is no need to determine any threshold criteria for the detection method – when the spatial resolution of the climate model changes. Hence, this method may be useful in evaluating model biases in calculating AR statistics. Further, the method can be applied to different climate scenarios without tuning since it does not rely on threshold conditions. We show that the method is suitable for rapidly analyzing large amounts of climate model and reanalysis output data.

54 ENVIRONMENTAL SCIENCES↗

Data Analysis Approaches for the Risk-Informed Safety Margins Characterization Toolkit

In the past decades, several numerical simulation codes have been employed to simulate accident dynamics (e.g., RELAP5-3D, RELAP-7, MELCOR, MAAP). In order to evaluate the impact of uncertainties into accident dynamics, several stochastic methodologies have been coupled with these codes. These stochastic methods range from classical Monte-Carlo and Latin Hypercube sampling to stochastic polynomial methods. Similar approaches have been introduced into the risk and safety community where stochastic methods (such as RAVEN, ADAPT, MCDET, ADS) have been coupled with safety analysis codes in order to evaluate the safety impact of timing and sequencing of events. These approaches are usually called Dynamic PRA or simulation-based PRA methods. These uncertainties and safety methods usually generate a large number of simulation runs (database storage may be on the order of gigabytes or higher). The scope of this paper is to present a broad overview of methods and algorithms that can be used to analyze and extract information from large data sets containing time dependent data. In this context, “extracting information” means constructing input-output correlations, finding commonalities, and identifying outliers. Some of the algorithms presented here have been developed or are under development within the RAVEN statistical framework.

97 MATHEMATICS AND COMPUTING↗

Modeling and Analysis Methods for an On-line Enrichment Monitor

The International Atomic Energy Agency (IAEA) has developed an On-Line Enrichment Monitor (OLEM) as one possible component in a new generation of safeguards measures for uranium enrichment plants. The OLEM measures 235U emissions from the UF6 gas flowing through a unit header pipe using NaI(Tl) spectrometers, and corrects for gas density changes using pressure and temperature sensors in order to determine the enrichment of the gas as a function of time. In parallel with the OLEM instrument development, a Virtual OLEM (VOLEM) software tool has been developed that is capable of producing synthetic gamma-ray, pressure, and temperature data representative of a wide range of enrichment plant operating conditions. VOLEM complements instrument development activities and allows the study of OLEM for scenarios that will be difficult or impossible to evaluate empirically. Uses of VOLEM include: investigation of hardware design options; inter-comparison of candidate gamma-ray spectral analysis and enrichment estimation algorithms; uncertainty budget analysis and performance prediction for typical and atypical operational scenarios; and testing of the OLEM data acquisition, analysis and reporting software. This paper describes the technical foundations of VOLEM and illustrates how it can be used. An overview of the nominal instrument design and deployment scenario for OLEM is provided, with emphasis on the key online-assay measurement challenge: accurately determining the portion of the total 235U signal that comes from a background that includes solid uranium deposits on the piping walls. Monte Carlo modeling tools, data analysis algorithms and uncertainty quantification methods are described. VOLEM is then used to quantitatively explore the uncertainty budgets and predicted instrument performance for a plausible range of typical plant operating parameters, and one set of candidate analysis algorithms. Additionally, a series of VOLEM case studies illustrates how an online enrichment monitor might respond in scenarios expected to be atypical, for example weak pressure transients or significant changes in background levels.

Smith, Leon E.↗