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At least 73 records · Page 4

Reliable machine prognostic health management in the presence of missing data

Prognostics and health management enables the prediction of future degradation and remaining useful life (RUL) for in-service systems based on historical and contemporary data, showing promise for many practical applications. One major challenge for prognostics is the common occurrence of missing values in time-series data, often caused by disruptions in sensor communication or hardware/software failures. Another major concern is that the sufficient prior knowledge of critical component degradation with a clear failure threshold is often not readily available in practice. These issues can significantly hinder the application of advanced signal and data analysis methods and consequently degrade the health management performance. In this article, we propose a novel data-driven framework that is capable of providing accurate and reliable predictions of degradation and RUL. In this approach, one-hot health state indicators are appended to the historical time series so that the model learns end-of-life automatically. A modified gate recurrent unit based variational autoencoder is employed in generative adversarial networks to model the temporal irregularity of the incomplete time series. Furthermore, experiments on multivariate time-series datasets collected from real-world aeroengines verify that significant performance improvement can be achieved using the proposed model for robust long-term prognostics.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

Book Review: Reiner Salzer and Heinz W. Siesler (Eds.): Infrared and Raman spectroscopic imaging, 2nd ed.

This second edition of "Infrared and Raman Spectroscopic Imaging" propels practitioners in that wide-ranging field, as well as other readers, to the current state of the art in a well-produced and full-color, completely revised and updated, volume. This new edition chronicles the expanded application of vibrational spectroscopic imaging from yesterday's time-consuming point-by-point buildup of a hyperspectral image cube, through the improvements afforded by the addition of focal plane arrays and line scan imaging, to methods applicable beyond the diffraction limit, instructs the reader on the improved instrumentation and image and data analysis methods, and expounds on their application to fundamental biomedical knowledge, food and agricultural surveys, materials science, process and quality control, and many others.

74 ATOMIC AND MOLECULAR PHYSICS↗

Using Receiver Operating Characteristic Curves to Optimize Discovery-Based Software with Comprehensive Two-Dimensional Gas Chromatography with Time-of-Flight Mass Spectrometry

We report a quantitative approach to optimize implementation of discovery-based software for comprehensive two-dimensional gas chromatography coupled with time-of-flight mass spectrometry (GC × GC – TOFMS). The software performs a tile-based Fisher ratio (F-ratio) analysis, and facilitates a supervised non-targeted analysis based upon the experimental design to aid in the discovery of analytes whose variances are statistically different between sample classes. The quantitative approach for software optimization uses receiver operating characteristic (ROC) curves. The area under the curve (AUC) of each ROC curve serves as a quantitative metric to optimize two key algorithm parameters: the signal-to-noise ratio (S/N) threshold of the baseline corrected and normalized data prior to calculating F-ratios at each m/z mass channel, and the number of these F-ratios per m/z to include in the calculation of the average F-ratio of a tile. A total of 25 combinations of S/N threshold by number of m/z were studied. Fifty analytes were spiked into a diesel fuel at two concentration spike levels to produce two sample classes that should in principle produce 50 positive instances in the ROC curves (30 native/20 non-native compounds, at spike levels of 200/20 and100/10 ppm native/non-native, respectively). The “sweet spot” for F-ratio analysis was determined to be a S/N threshold of 10 coupled with a maximum of the 10 most chemically selective m/z (requiring a minimum of 3 m/z), corresponding to a ~ 21% improvement in the discovery rate of true positives relative to prior studies. Furthermore, it was observed that optimization of these software parameters did not depend upon a priori determination of the statistically correct number of positive instances in the sample classes. The AUC metric appears to be suitable for the evaluation of all data analysis methods that utilize the proper experimental design.

3D-GS/TOFMS, Data discovery, ROC curves, Fisher ra↗

Dual-spacecraft reconstruction of a three-dimensional magnetic flux rope at the Earth's magnetopause

We present the first results of a data analysis method, developed by Sonnerup and Hasegawa (2011), for reconstructing three-dimensional (3-D), magnetohydrostatic structures from data taken as two closely spaced satellites traverse the structures. The method is applied to a magnetic flux transfer event (FTE), which was encountered on 27 June 2007 by at least three (TH-C, TH-D, and TH-E) of the five THEMIS probes near the subsolar magnetopause. The FTE was sandwiched between two oppositely directed reconnection jets under a southward interplanetary magnetic field condition, consistent with its generation by multiple X-line reconnection. The recovered 3-D field indicates that a magnetic flux rope with a diameter of ~ 3000 km was embedded in the magnetopause. The FTE flux rope had a significant 3-D structure, because the 3-D field reconstructed from the data from TH-C and TH-D (separated by ~ 390 km) better predicts magnetic field variations actually measured along the TH-E path than does the 2-D Grad–Shafranov reconstruction using the data from TH-C (which was closer to TH-E than TH-D and was at ~ 1250 km from TH-E). Such a 3-D nature suggests that the field lines reconnected at the two X-lines on both sides of the flux rope are entangled in a complicated way through their interaction with each other. The generation process of the observed 3-D flux rope is discussed on the basis of the reconstruction results and the pitch-angle distribution of electrons observed in and around the FTE.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

X-ray scattering based scanning tomography for imaging and structural characterization of cellulose in plants

X-ray and neutron scattering have long been used for structural characterization of cellulose in plants. Due to averaging over the illuminated sample volume, these measurements traditionally overlooked the compositional and morphological heterogeneity within the sample. Here, a scanning tomographic imaging method is described, using contrast derived from the X-ray scattering intensity, for virtually sectioning the sample to reveal its internal structure at a resolution of a few micrometres. This method provides a means for retrieving the local scattering signal that corresponds to any voxel within the virtual section, enabling characterization of the local structure using traditional data-analysis methods. This is accomplished through tomographic reconstruction of the spatial distribution of a handful of mathematical components identified by non-negative matrix factorization from the large dataset of X-ray scattering intensity. Joint analysis of multiple datasets, to find similarity between voxels by clustering of the decomposed data, could help elucidate systematic differences between samples, such as those expected from genetic modifications, chemical treatments or fungal decay. The spatial distribution of the microfibril angle can also be analyzed, based on the tomographically reconstructed scattering intensity as a function of the azimuthal angle.

36 MATERIALS SCIENCE↗

Analysing lessons from experience as part of a project to prepare/train teams to manage potentially stressful crisis situations - 164

Following the presentation of the methodology for making use of Operating Experience (OE) data, implemented as part of a study on preparing teams to manage potentially stressful crisis situations, this paper discusses and enhances the 'Implementing a Learning Organisation (ILO)' model, the aim of which is to organise operating experience for learning purposes. By way of introduction, we first present this model, which is divided into four fields of investigation for organising an OE mechanism to support learning, to pose the question we aim to answer in this paper: how does the field relating to the use of OE in the ILO model help us to turn the experience acquired to good account? With this in mind, we then present the different stages of the methodology for making use of OE. The first stage involves defining the area under examination in line with current best practices. This definition is then used in the second stage, as a basis for developing a framework to guide the analysis of OE. Finally, the third stage of the methodology involves selecting the OE data to be analysed. The findings obtained in the chosen case are then presented and several points are discussed based on this experience. These relate to the following: the acquisition of knowledge on current working situations enabled by OE; the stored data analysis method; and the conditions facilitating the use of OE. (authors)

99 GENERAL AND MISCELLANEOUS↗

Model-independent Exoplanet Transit Spectroscopy

We propose a new data analysis method for obtaining transmission spectra of exoplanet atmospheres and brightness variation across the stellar disk from transit observations. The new method is capable of recovering exoplanet atmosphere absorption spectra and stellar specific intensities without relying on theoretical models of stars and planets. We simultaneously fit both stellar specific intensity and planetary radius directly to transit light curves. This allows stellar models to be removed from the data analysis. Furthermore, we use a data quality weighted filtering technique to achieve an optimal trade-off between spectral resolution and reconstruction fidelity homogenizing the signal-to-noise ratio across the wavelength range. Such an approach is more efficient than conventional data binning onto a low-resolution wavelength grid. We demonstrate that our analysis is capable of reproducing results achieved by using an explicit quadratic limb-darkening equation and that the filtering technique helps eliminate spurious spectral features in regions with strong telluric absorption. The method is applied to the VLT FORS2 observations of the exoplanets GJ 1214 b and WASP-49 b, and our results are in agreement with previous studies. Comparisons between obtained stellar specific intensity and numerical models indicates that the method is capable of accurately reconstructing the specific intensity. The proposed method enables more robust characterization of exoplanetary atmospheres by separating derivation of planetary transmission and stellar specific intensity spectra (that is model-independent) from chemical and physical interpretation.

79 ASTRONOMY AND ASTROPHYSICS↗

Python and HPC for High Energy Physics Data Analyses

High level abstractions in Python that can utilize computing hardware well seem to be an attractive option for writing data reduction and analysis tasks. In this paper, we explore the features available in Python which are useful and efficient for end user analysis in High Energy Physics (HEP). A typical vertical slice of an HEP data analysis is somewhat fragmented: the state of the reduction/analysis process must be saved at certain stages to allow for selective reprocessing of only parts of a generally time-consuming workflow. Also, algorithms tend to to be modular because of the heterogeneous nature of most detectors and the need to analyze different parts of the detector separately before combining the information. This fragmentation causes difficulties for interactive data analysis, and as data sets increase in size and complexity (O10 TiB for a “small” neutrino experiment to the O10 PiB currently held by the CMS experiment at the LHC), data analysis methods traditional to the field must evolve to make optimum use of emerging HPC technologies and platforms. Mainstream big data tools, while suggesting a direction in terms of what can be done if an entire data set can be available across a system and analysed with high-level programming abstractions, are not designed with either scientific computing generally, or modern HPC platform features in particular, such as data caching levels, in mind. Our example HPC use case is a search for a new elementary particle which might explain the phenomenon known as “Dark Matter”. Here, using data from the CMS detector, we will use HDF5 as our input data format, and MPI with Python to implement our use case.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Modeling Complex Relationships in Large-Scale Data using Hypergraphs (LDRD Final Report)

This SAND report documents the findings of the LDRD project, "Modeling Complex Relationships in Large-Scale Data using Hypergraphs". The project ran from October 2017 through September 2019. The focus of the project was the development and application of hypergraph data analytics to Sandia relational data applications. In this project, we attempted to apply a hypergraph data analysis method—specifically, hypergraph eigenvector centrality—to Sandia mission problems to identify influential entities (people, location, times, etc.) in the data. Unfortunately, the application data led to graph and hypergraph representations containing disconnected components. To date, there are no well-established techniques for applying eigenvector centrality to such graphs and hypergraphs. In this report, we present several heuristics for computing eigenvector centrality for disconnected graphs. We believe this is an important start to understanding how to approach the similar problem for hypergraphs, but this project concluded before we made progress on that problem. The ideas, methods, and suggestions presented here can be used for further research into this challenging problem. We also present our ideas for generating graphs with known degree and centrality distributions. The goal in presenting this work is to identify a procedure for analyzing such graphs once the problem of addressing disconnected components has been addressed. When working with a single data set, this generator can be used to create many instances of graphs that can be used to analyze the robustness of the centrality computations for the original data set. Although the results did not match perfectly in the case of the Facebook Ego dataset used in the experiments presented here, this again represents a good start in the direction of a graph generator for such problems. We note that there are potential trade-offs between how the degree and centrality distributions are fit to the original data and suggested several possible avenues for follow-on research efforts.

97 MATHEMATICS AND COMPUTING↗

A review of advantages of high-efficiency X-ray spectrum imaging for analysis of nanostructured ferritic alloys

Nanostructured ferritic alloys (NFAs) exhibit complex microstructures consisting of 100-500 nm ferrite grains, grain boundary solute enrichment, and multiple populations of precipitates and nanoclusters (NCs). Understanding these materials' excellent creep and radiation-tolerance properties requires a combination of multiple atomic-scale experimental techniques. Recent advances in scanning transmission electron microscopy (STEM) hardware and data analysis methods have the potential to revolutionize nanometer to micrometer scale materials analysis. The application of these methods is applied to NFAs as a test case and is compared to both conventional STEM methods as well as complementary methods such as scanning electron microscopy and atom probe tomography. In this paper, we review past results and present new results illustrating the effectiveness of latest-generation STEM instrumentation and data analysis.

36 MATERIALS SCIENCE↗

The maximum extent of the filaments and sheets in the cosmic web: an analysis of the SDSS DR17

Filaments and sheets are striking visual patterns in cosmic web. The maximum extent of these large-scale structures are difficult to determine due to their structural variety and complexity. We construct a volume-limited sample of galaxies in a cubic region from the SDSS, divide it into smaller subcubes and shuffle them around. We quantify the average filamentarity and planarity in the 3D galaxy distribution as a function of the density threshold and compare them with those from the shuffled realizations of the original data. The analysis is repeated for different shuffling lengths by varying the size of the subcubes. The average filamentarity and planarity in the shuffled data show a significant reduction when the shuffling scales are smaller than the maximum size of the genuine filaments and sheets. We observe a statistically significant reduction in these statistical measures even at a shuffling scale of $\sim 130 \, {{\, \rm Mpc}}$, indicating that the filaments and sheets in three dimensions can extend up to this length scale. They may extend to somewhat larger length scales that are missed by our analysis due to the limited size of the SDSS data cube. We expect to determine these length scales by applying this method to deeper and larger surveys in future.

79 ASTRONOMY AND ASTROPHYSICS↗

A Hybrid Energy System Workflow for Energy Portfolio Optimization

This manuscript develops a workflow, driven by data analytics algorithms, to support the optimization of the economic performance of an Integrated Energy System. The goal is to determine the optimum mix of capacities from a set of different energy producers (e.g., nuclear, gas, wind and solar). A stochastic-based optimizer is employed, based on Gaussian Process Modeling, which requires numerous samples for its training. Each sample represents a time series describing the demand, load, or other operational and economic profiles for various types of energy producers. These samples are synthetically generated using a reduced order modeling algorithm that reads a limited set of historical data, such as demand and load data from past years. Numerous data analysis methods are employed to construct the reduced order models, including, for example, the Auto Regressive Moving Average, Fourier series decomposition, and the peak detection algorithm. All these algorithms are designed to detrend the data and extract features that can be employed to generate synthetic time histories that preserve the statistical properties of the original limited historical data. The optimization cost function is based on an economic model that assesses the effective cost of energy based on two figures of merit: the specific cash flow stream for each energy producer and the total Net Present Value. An initial guess for the optimal capacities is obtained using the screening curve method. The results of the Gaussian Process model-based optimization are assessed using an exhaustive Monte Carlo search, with the results indicating reasonable optimization results. The workflow has been implemented inside the Idaho National Laboratory’s Risk Analysis and Virtual Environment (RAVEN) framework. The main contribution of this study addresses several challenges in the current optimization methods of the energy portfolios in IES: First, the feasibility of generating the synthetic time series of the periodic peak data; Second, the computational burden of the conventional stochastic optimization of the energy portfolio, associated with the need for repeated executions of system models; Third, the inadequacies of previous studies in terms of the comparisons of the impact of the economic parameters. The proposed workflow can provide a scientifically defendable strategy to support decision-making in the electricity market and to help energy distributors develop a better understanding of the performance of integrated energy systems.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Asymptotic inconsistency of the cumulative algorithm for laser-induced damage probability analysis

The “cumulative algorithm” is a data analysis method that has been proposed to provide an objective, nonparametric determination of laser-induced damage probability as a function of fluence from experimental data that contain both damaged sites and undamaged sites (i.e., 1-on-1 or S-on-1 testing protocols). In this work, the limitations of this approach are explored by considering the asymptotic limit of a large number of test sites. It is shown that the cumulative algorithm does not converge to the true probability distribution and significantly underestimates the damage probability near the damage onset. Here, based on the results of this work, the cumulative algorithm is not recommended for accurate estimation of damage probability.

Computational methods↗

Extension of the sasCIF format and its applications for data processing and deposition

Recent advances in small-angle scattering (SAS) experimental facilities and data analysis methods have prompted a dramatic increase in the number of users and of projects conducted, causing an upsurge in the number of objects studied, experimental data available and structural models generated. To organize the data and models and make them accessible to the community, the Task Forces on SAS and hybrid methods for the International Union of Crystallography and the Worldwide Protein Data Bank envisage developing a federated approach to SAS data and model archiving. Within the framework of this approach, the existing databases may exchange information and provide independent but synchronized entries to users. At present, ways of exchanging information between the various SAS databases are not established, leading to possible duplication and incompatibility of entries, and limiting the opportunities for data-driven research for SAS users. In this work, a solution is developed to resolve these issues and provide a universal exchange format for the community, based on the use of the widely adopted crystallographic information framework (CIF). The previous version of the sasCIF format, implemented as an extension of the core CIF dictionary, has been available since 2000 to facilitate SAS data exchange between laboratories. The sasCIF format has now been extended to describe comprehensively the necessary experimental information, results and models, including relevant metadata for SAS data analysis and for deposition into a database. Processing tools for these files ( sasCIFtools ) have been developed, and these are available both as standalone open-source programs and integrated into the SAS Biological Data Bank, allowing the export and import of data entries as sasCIF files. Software modules to save the relevant information directly from beamline data-processing pipelines in sasCIF format are also developed. Lastly, this update of sasCIF and the relevant tools are an important step in the standardization of the way SAS data are presented and exchanged, to make the results easily accessible to users and to promote further the application of SAS in the structural biology community.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

Thermally driven phase transition of halide perovskites revealed by big data-powered in situ electron microscopy

Halide perovskites are promising light-absorbing materials for high-efficiency solar cells, while the crystalline phase of halide perovskites may influence the device’s efficiency and stability. In this work, we investigated the thermally driven phase transition of perovskite (CsPbIxBr3—x), which was confirmed by electron diffraction and high-resolution transmission electron microscopy results. CsPbIxBr3—x transitioned from δ phase to α phase when heated, and the γ phase was obtained when the sample was cooled down. The γ phase was stable as long as it was isolated from humidity and air. A template matching-based data analysis method enabled visualization of the thermally driven phase evolution of perovskite during heating. Here, we also proposed a possible atomic movement in the process of phase transition based on our in situ heating experimental data. The results presented here may improve our understanding of the thermally driven phase transition of perovskite as well as provide a protocol for big-data analysis of in situ experiments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A mid-infrared search for substellar companions of nearby planet-host stars

Determining the presence of widely separated substellar-mass companion is crucial to understand the dynamics of inner planets in extrasolar planetary systems (e.g., to explain their high mean eccentricity as inner planets are perturbed by the Kozai mechanism). We report the results of our Spitzer/Infrared Array Camera (IRAC) imaging search for widely separated (10''-25'') substellar-mass companions for 14 planet-host stars within 15 pc of the Sun. Using deep 3.6 and 4.5 μm observations in subarray mode, we found one object in the field of 47 UMa with [3.6]–[4.5] color similar to a T5 dwarf, which is, however, unlikely to share common proper motion with 47 UMa. We also found three objects with brown-dwarf-like [3.6]–[4.5] color limits in the fields of GJ 86, HD 160691, and GJ 581, as well as another in the field of HD 69830 for which we have excluded common proper motion. We provide model-based upper mass limits for unseen objects around all stars in our sample, with typical sensitivity to 10 M {sub J} objects from a projected separation of 50-300 AU from the parent star. We also discuss our data analysis methods for point-spread-function subtraction, image co-alignment, and artifact subtraction of IRAC subarray images.

79 ASTRONOMY AND ASTROPHYSICS↗

The status of the study of solar CNO neutrinos in the Borexino experiment

Although less than 1% of solar energy is generated in the CNO cycle, it plays a critical role in astrophysics, since this cycle is the primary source of energy in certain more massive stars and at later stages of evolution of solar-type stars. Electron neutrinos are produced in the CNO cycle reactions. These neutrinos may be detected by terrestrial neutrino detectors. Various solar models with different abundances of elements heavier than helium predict different CNO neutrino fluxes. A direct measurement of the CNO neutrino flux could help distinguish between these models and solve several other astrophysical problems. No CNO neutrinos have been detected directly thus far, and the best upper limit on their flux was set in the Borexino experiment. The work on reducing the background in the region of energies of CNO neutrinos (up to 1.74 MeV) and developing novel data analysis methods is presently under way. These efforts may help detect the CNO neutrino flux in the Borexino experiment at the level predicted by solar models.

79 ASTRONOMY AND ASTROPHYSICS↗

SU-E-T-345: Effect of DLG and MLC Transmission Value Set in the Treatment Planning System (TPS) On Dosimetric Accuracy of True Beam Hypofractionated SRT/SBRT and 2Gy/fx Prostate Rapid Arc Plans

Purpose: Due to limited commissioning time, we previously only released our True beam non-FFF mode for prostate treatment. Clinical demand now pushes us to release the non-FFF mode for SRT/SBRT treatment. When re-planning on True beam previously treated SRT/SBRT cases on iX machine we found the patient specific QA pass rate was worse than iX’s, though the 2Gy/fx prostate Result had been as good. We hypothesize that in TPS the True beam DLG and MLC transmission values, of those measured during commissioning could not yet provide accurate SRS/SBRT dosimetry. Hence this work is to investigate how the TPS DLG and transmission value affects Rapid Arc plans’ dosimetric accuracy. Methods: We increased DLG and transmission value of True beam in TPS such that their percentage differences against the measured matched those of iX’s. We re-calculated 2 SRT, 1 SBRT and 2 prostate plans, performed patient specific QA on these new plans and compared the results to the previous. Results: With DLG and transmission value set respectively 40 and 8% higher than the measured, the patient specific QA pass rate (at 3%/3mm) improved from 95.0 to 97.6% vs previous iX’s 97.8% in the case of SRT. In the case of SBRT, the pass rate improved from 75.2 to 93.9% vs previous iX’s 92.5%. In the case of prostate, the pass rate improved from 99.3 to 100%. The maximum dose difference in plans before and after adjusting DLG and transmission was approximately 1% of the prescription dose among all plans. Conclusion: The impact of adjusting DLG and transmission value on dosimetry might be the same among all Rapid Arc plans regardless hypofractionated or not. The large variation observed in patient specific QA pass rate might be due to the data analysis method in the QA software being more sensitive to hypofractionated plans.

60 APPLIED LIFE SCIENCES↗