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At least 361 records · Page 20

Seven open problems in applied combinatorics

We present and discuss seven different open problems in applied combinatorics. Additionally, the application areas relevant to this compilation include quantum computing, algorithmic differentiation, topological data analysis, iterative methods, hypergraph cut algorithms, and power systems.

97 MATHEMATICS AND COMPUTING↗

K-Means Cluster Study for Radiofrequency Propagation Characterization

The objective of this study is to design a simple method for mining radio frequency (RF) propagation data. The study explored the characteristics of a large dataset of propagation experiments conducted over the span of years and using several ground stations around the world. Furthermore, this study developed simple predictive models that can be used for link characterization and overall propagation behavior description, without the need for physical measurements on-site. It is understood that such statistical learning has several drawbacks in terms of accuracy and precision. K-means clustering was used to characterize the data set in a way never explored before in an attempt to create useful tools that reduce cost, time and risk. K-means clustering was used to characterize the data set. Cosine distance was used as a method to determine the optimal number for clustering each feature. Dependence and independence analysis was performed to explore intra and inter-sensitivity between the presented features, with respect to each other and time. Several predicative models were generated and evaluated with respect to a test set to assess a measure of prediction accuracy and precision. A simple method for data analysis was developed and tested as the basis for further studies and future refinement to produce optimal performing models.

Cognitive↗

Estimating the Diffusion Coefficient of Lithium in Graphite: Extremely Fast Charging and a Comparison of Data Analysis Techniques

Galvanostatic intermittent titration experiments were performed in three-electrode cells to characterize the effect of C/2, 2-C and 4-C charge rates on the observed lithium diffusion coefficient. As part of the data analysis process, we compared the classic Weppner-Huggins analysis of polarization data with a newer (Wang et al.) analysis method for depolarization data. At low values of x in Li x C 6 , both analysis methods showed the same general trend in the apparent lithium diffusion coefficient, 4-C > 2-C > C/2. The two techniques differed in the magnitude of the estimated diffusion coefficient by about a factor of 100. The observed increase in diffusion coefficient does not last over a large compositional range. Since the estimates from the method of Weppner and Huggins may contain artifacts due to the use of particulate electrodes and high charge rates, the method of Wang et al. may produce better values.

25 ENERGY STORAGE↗

Deconvoluting thermomechanical effects in X-ray diffraction data using machine learning

X-ray diffraction is ideal for probing the sub-surface state during complex or rapid thermomechanical loading of crystalline materials. However, challenges arise as the size of diffraction volumes increases due to spatial broadening and because of the inability to deconvolute the effects of different lattice deformation mechanisms. Here, we present a novel approach that uses combinations of physics-based modeling and machine learning to deconvolve thermal and mechanical elastic strains for diffraction data analysis. The method builds on a previous effort to extract thermal strain distribution information from diffraction data. The new approach is applied to extract the evolution of the thermomechanical state during laser melting of an Inconel 625 wall specimen which produces significant residual stress upon cooling. A combination of heat transfer and fluid flow, elasto-plasticity and X-ray diffraction simulations is used to generate training data for machine-learning (Gaussian process regression, GPR) models that map diffracted intensity distributions to underlying thermomechanical strain fields. First-principles density functional theory is used to determine accurate temperature-dependent thermal expansion and elastic stiffness used for elasto-plasticity modeling. The trained GPR models are found to be capable of deconvoluting the effects of thermal and mechanical strains, in addition to providing information about underlying strain distributions, even from complex diffraction patterns with irregularly shaped peaks.

36 MATERIALS SCIENCE↗

Spectral Methods in Time-dependent Data Analysis

We aim to create a new model for time-dependent data analysis, named dynamical learning, that integrates data-driven manifold learning techniques with operator-theoretic methods from dynamical systems theory. This approach has the potential to deliver more efficient methods for analyzing time-dependent data, such as video streams, by naturally separating out the temporal and spatial features of the data. We aim to apply the newly developed methods to video surveillance data related to Sandia mission applications, and particularly focus on the problems of image segmentation and object tracking. This project ended early due to the departure of the PI from Sandia about 18 months into the project. Therefore, this document reports on partial progress towards the initial goals of the project. In addition, this document reports on part of the work conducted during the project; see the Appendix for a summary of all the work conducted during the 18 months.

97 MATHEMATICS AND COMPUTING↗

Systems and methods for determining flux distribution

Provided are systems and methods for accurately determining flux distribution in organisms or cells without use of metabolic flux analysis data. The methods include estimating flux distributions in multiple reference strains (variants of a parental strain) using experimentally determined extracellular flux data from the reference strains, and determining a flux distribution for the parental strain from the estimated flux distributions for the reference strains and from experimentally measured extracellular fluxes for the parental strain. The systems are configured for carrying out the methods.

59 BASIC BIOLOGICAL SCIENCES↗

Analysis of Needlet Internal Linear Combination performance on B -mode data from sub-orbital experiments

The observation of primordial B modes in cosmic microwave background (CMB) polarisation data represents the main scientific goal of most of the future CMB experiments. This signal is predicted to be much lower than polarised Galactic emission (foregrounds) in any region of the sky, pointing to the need for effective component separation methods. Aims. Among all the techniques, the blind Needlet Internal Linear Combination (NILC) is of great relevance given our current limited knowledge of the B-mode foregrounds. In this work, we explore the possibility of employing NILC for the analysis of B modes reconstructed from partial-sky data, specifically addressing the complications that such an application yields such as E–B leakage, needlet filtering, and beam convolution. We consider two complementary simulated datasets of future experiments: the balloon-borne Short Wavelength Instrument for the Polarisation Explorer (SWIPE) of the Large Scale Polarisation Explorer, which targets the observation of both reionisation and recombination peaks of the primordial CMB B-mode angular power spectrum, and the ground-based Small Aperture Telescope of Simons Observatory, which, instead, is designed to observe only the recombination bump at ℓ ~ 80. We assessed the performance of the following two alternative techniques to correct for the CMB E–B leakage: the recycling technique and the Zhao-Baskaran method. We find that both techniques reduce the E–B leakage residuals at a negligible level given the sensitivity of the considered experiments, except for the recycling method in the SWIPE footprint at ℓ < 20. Thus, we implemented two extensions of the pipeline, the iterative B decomposition and the diffusive inpainting, which enabled us to recover the input CMB B-mode power for ℓ ≥ 5. For the considered experiments, we demonstrate that needlet filtering and beam convolution do not affect the CMB B-mode reconstruction. Finally, with an appropriate masking strategy, we find that NILC foregrounds subtraction allows one to achieve sensitivities on the tensor-to-scalar ratio in agreement with the targets of the considered CMB experiments.

79 ASTRONOMY AND ASTROPHYSICS↗

MEASUREMENT OF GALAXY CLUSTER INTEGRATED COMPTONIZATION AND MASS SCALING RELATIONS WITH THE SOUTH POLE TELESCOPE

We describe a method for measuring the integrated Comptonization (Y {sub SZ}) of clusters of galaxies from measurements of the Sunyaev-Zel'dovich (SZ) effect in multiple frequency bands and use this method to characterize a sample of galaxy clusters detected in the South Pole Telescope (SPT) data. We use a Markov Chain Monte Carlo method to fit a β-model source profile and integrate Y {sub SZ} within an angular aperture on the sky. In simulated observations of an SPT-like survey that include cosmic microwave background anisotropy, point sources, and atmospheric and instrumental noise at typical SPT-SZ survey levels, we show that we can accurately recover β-model parameters for inputted clusters. We measure Y {sub SZ} for simulated semi-analytic clusters and find that Y {sub SZ} is most accurately determined in an angular aperture comparable to the SPT beam size. We demonstrate the utility of this method to measure Y {sub SZ} and to constrain mass scaling relations using X-ray mass estimates for a sample of 18 galaxy clusters from the SPT-SZ survey. Measuring Y {sub SZ} within a 0.'75 radius aperture, we find an intrinsic log-normal scatter of 21% ± 11% in Y {sub SZ} at a fixed mass. Measuring Y {sub SZ} within a 0.3 Mpc projected radius (equivalent to 0.'75 at the survey median redshift z = 0.6), we find a scatter of 26% ± 9%. Prior to this study, the SPT observable found to have the lowest scatter with mass was cluster detection significance. We demonstrate, from both simulations and SPT observed clusters that Y {sub SZ} measured within an aperture comparable to the SPT beam size is equivalent, in terms of scatter with cluster mass, to SPT cluster detection significance.

79 ASTRONOMY AND ASTROPHYSICS↗

Variational four-dimensional analysis using quasi-geostrophic constraints

A variational four-dimensional analysis technique using quasi-geostrophic models as constraints is examined using gridded fields as data. The analysis method uses a standard iterative nonlinear minimization technique to find the solution to the constraining forecast model which best fits the data as measured by a predefined functional. The minimization algorithm uses the derivative of the functional with respect to each of the initial condition values. This derivative vector is found by inserting the weighted differences between the model solution and the inserted data into a backwards integrating adjoint model. The four-dimensional analysis system was examined by applying it to fields created from a primitive equations model forecast and to fields created from satellite retrievals. The results show that the technique has several interesting characteristics not found in more traditional four-dimensional assimilation techniques. These features include a close fit of the model solution to the observations throughout the analysis interval and an insensitivity to the frequency of data insertion or the amount of data. The four-dimensional analysis technique is very versatile and can be extended to more complex problems with little theoretical difficulty.

Derber, John C.↗

A technique for rapid source apportionment applied to ambient organic aerosol measurements from a thermal desorption aerosol gas chromatograph (TAG)

Here, we present a rapid method for apportioning the sources of atmospheric organic aerosol composition measured by gas chromatography–mass spectrometry methods. Here, we specifically apply this new analysis method to data acquired on a thermal desorption aerosol gas chromatograph (TAG) system. Gas chromatograms are divided by retention time into evenly spaced bins, within which the mass spectra are summed. A previous chromatogram binning method was introduced for the purpose of chromatogram structure deconvolution (e.g., major compound classes) (Zhang et al., 2014). Here we extend the method development for the specific purpose of determining aerosol samples' sources. Chromatogram bins are arranged into an input data matrix for positive matrix factorization (PMF), where the sample number is the row dimension and the mass-spectra-resolved eluting time intervals (bins) are the column dimension. Then two-dimensional PMF can effectively do three-dimensional factorization on the three-dimensional TAG mass spectra data. The retention time shift of the chromatogram is corrected by applying the median values of the different peaks' shifts. Bin width affects chemical resolution but does not affect PMF retrieval of the sources' time variations for low-factor solutions. A bin width smaller than the maximum retention shift among all samples requires retention time shift correction. A six-factor PMF comparison among aerosol mass spectrometry (AMS), TAG binning, and conventional TAG compound integration methods shows that the TAG binning method performs similarly to the integration method. However, the new binning method incorporates the entirety of the data set and requires significantly less pre-processing of the data than conventional single compound identification and integration. In addition, while a fraction of the most oxygenated aerosol does not elute through an underivatized TAG analysis, the TAG binning method does have the ability to achieve molecular level resolution on other bulk aerosol components commonly observed by the AMS.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Chapter 8: Whole-Building Retrofit with Consumption Data Analysis Evaluation Protocol. The Uniform Methods Project: Methods for Determining Energy Efficiency Savings for Specific Measures

Whole-building retrofits involve the installation of multiple measures. Whole-building retrofit programs take many forms. With a focus on overall building performance, these programs usually begin with an energy audit to identify cost-effective energy efficiency measures for the home. Measures are then installed, either at no cost to the homeowner or partially paid for by rebates and/or financing. The methods described here may also be applied to evaluation of single-measure retrofit programs. Related methods exist for replace-on-failure programs and for new construction, but are not the subject of this chapter.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

A review on recent machine learning applications for imaging mass spectrometry studies

Imaging mass spectrometry (IMS) is a powerful analytical technique widely used in biology, chemistry, and materials science fields that continue to expand. IMS provides a qualitative compositional analysis and spatial mapping with high chemical specificity. The spatial mapping information can be 2D or 3D depending on the analysis technique employed. Due to the combination of complex mass spectra coupled with spatial information, large high-dimensional datasets (hyperspectral) are often produced. Therefore, the use of automated computational methods for an exploratory analysis is highly beneficial. The fast-paced development of artificial intelligence (AI) and machine learning (ML) tools has received significant attention in recent years. These tools, in principle, can enable the unification of data collection and analysis into a single pipeline to make sampling and analysis decisions on the go. There are various ML approaches that have been applied to IMS data over the last decade. Here, in this review, we discuss recent examples of the common unsupervised (principal component analysis, non-negative matrix factorization, k-means clustering, uniform manifold approximation and projection), supervised (random forest, logistic regression, XGboost, support vector machine), and other methods applied to various IMS datasets in the past five years. The information from this review will be useful for specialists from both IMS and ML fields since it summarizes current and representative studies of computational ML-based exploratory methods for IMS.

47 OTHER INSTRUMENTATION↗

SPHERICAL HARMONIC ANALYSES OF INTENSITY MAPPING POWER SPECTRA

Intensity mapping is a promising technique for surveying the large-scale structure of our universe from z = 0 to z ∼ 150, using the brightness temperature field of spectral lines to directly observe previously unexplored portions of our cosmic timeline. Examples of targeted lines include the 21 cm hyperfine transition of neutral hydrogen, rotational lines of carbon monoxide, and fine-structure lines of singly ionized carbon. Recent efforts have focused on detections of the power spectrum of spatial fluctuations, but have been hindered by systematics such as foreground contamination. This has motivated the decomposition of data into Fourier modes perpendicular and parallel to the line of sight, which has been shown to be a particularly powerful way to diagnose systematics. However, such a method is well-defined only in the limit of a narrow-field, flat-sky approximation. This limits the sensitivity of intensity mapping experiments, as it means that wide surveys must be separately analyzed as a patchwork of smaller fields. In this paper, we develop a framework for analyzing intensity mapping data in a spherical Fourier–Bessel basis, which incorporates curved sky effects without difficulty. We use our framework to generalize a number of techniques in intensity mapping data analysis from the flat sky to the curved sky. These include visibility-based estimators for the power spectrum, treatments of interloper lines, and the “foreground wedge” signature of spectrally smooth foregrounds.

79 ASTRONOMY AND ASTROPHYSICS↗

Estimate of heat fluxes on the subjacent surface (according to data from synoptic analysis)

Several methods of estimating heat fluxes from nonadiabatic sources distributed over a subjacent surface were discussed. Data calculated by synoptic analysis for the entire Northern Hemisphere from aerological soundings at the AT500 and AT400 level, along with the temperature of the subjacent surfaces, were used. A polytropic model of the atmosphere is used in order to avoid the problems posed by the lack of any complete theory of heat transfer in the lower atmosphere.

Nagurnyy, A. P.↗

Anomaly Detection in Seismic Data with Deep Learning: Application for Instrument Failure Detection and Forecasting

Seismic data quality assessment (QA) is the first and one of the most important steps before conducting any further data analysis. Traditional methods involve checking various metrics, such as spike detection and power spectral density, by setting strict thresholds or comparing data against synthetic benchmarks. However, these approaches often rely on pre-existing knowledge and assumptions about data anomalies, leading to potential misclassification of unusual cases. Here, in this study, we propose a deep autoencoder model, an unsupervised learning approach that evaluates data quality without making assumptions about normal and anomalous data, which can be used to identify deviations in recorded data that may indicate nascent instrument failure. We test the model with the U.S. International Monitoring System (IMS) seismic stations and demonstrate the capability of detecting anomalies on a monthly scale. This could prompt station operators to examine potential problems early, allowing sufficient time for instrument maintenance to prevent data outages. In addition, we use a new manually selected testing dataset to compare our model performance against two supervised machine learning (ML) approaches and a standard QA package, as baseline models. When applied to the dataset containing known data anomalies, performance of the supervised and unsupervised ML approaches is similar, with an accuracy of 88.1% for our model compared to ∼90% for the supervised ML approach and 78.2% for the standard QA package. Our model outperforms the baseline models when applied to new stations, where new types of data anomalies can be station-specific and not included in the training dataset. Finally, we show model transferability by training the model with data from the Global Seismograph Network only and applying it to the IMS network data. The results suggest that our model is generalizable and can be applied to new stations with good accuracy.

Lin, Jiun-Ting [Lawrence Livermore National Labora↗

Time Frequency Analysis of Spacecraft Propellant Tank Spinning Slosh

Many spacecraft are designed to spin about an axis along the flight path as a means of stabilizing the attitude of the spacecraft via gyroscopic stiffness. Because of the assembly requirements of the spacecraft and the launch vehicle, these spacecraft often spin about an axis corresponding to a minor moment of inertia. In such a case, any perturbation of the spin axis will cause sloshing motions in the liquid propellant tanks that will eventually dissipate enough kinetic energy to cause the spin axis nutation (wobble) to grow further. This spinning slosh and resultant nutation growth is a primary design problem of spinning spacecraft and one that is not easily solved by analysis or simulation only. Testing remains the surest way to address spacecraft nutation growth. This paper describes a test method and data analysis technique that reveal the resonant frequency and damping behavior of liquid motions in a spinning tank. Slosh resonant frequency and damping characteristics are necessary inputs to any accurate numerical dynamic simulation of the spacecraft.

Green, Steven T.↗