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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 37 records · Page 2

Two-Dimensional Energy Histograms as Features for Machine Learning to Predict Adsorption in Diverse Nanoporous Materials

A major obstacle for machine learning (ML) in chemical science is the lack of physically informed feature representations that provide both accurate prediction and easy interpretability of the ML model. In this work, we describe adsorption systems using novel two-dimensional energy histogram (2D-EH) features, which are obtained from the probe-adsorbent energies and energy gradients at grid points located throughout the adsorbent. The 2D-EH features encode both energetic and structural information of the material and lead to highly accurate ML models (coefficient of determination R2 ~ 0.94–0.99) for predicting single-component adsorption capacity in metal–organic frameworks (MOFs). Here, we consider the adsorption of spherical molecules (Kr and Xe), linear alkanes with a wide range of aspect ratios (ethane, propane, n-butane, and n-hexane), and a branched alkane (2,2-dimethylbutane) over a wide range of temperatures and pressures. The interpretable 2D-EH features enable the ML model to learn the basic physics of adsorption in pores from the training data. We show that these MOF-data-trained ML models are transferrable to different families of amorphous nanoporous materials. We also identify several adsorption systems where capillary condensation occurs, and ML predictions are more challenging. Nevertheless, our 2D-EH features still outperform structural features including those derived from persistent homology. The novel 2D-EH features may help accelerate the discovery and design of advanced nanoporous materials using ML for gas storage and separation in the future.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A copula-based rank histogram ensemble filter

Serial ensemble filters implement triangular probability transport maps to reduce high-dimensional inference problems to sequences of state-by-state univariate inference problems. The univariate inference problems are solved by sampling posterior probability densities obtained by combining constructed prior densities with observational likelihoods according to Bayes' rule. Many serial filters in the literature focus on representing the marginal posterior densities of each state. However, rigorously capturing the conditional dependencies between the different univariate inferences is crucial to correctly sampling multidimensional posteriors. This work proposes a new serial ensemble filter, called the copula rank histogram filter (CoRHF), that seeks to capture the conditional dependency structure between variables via empirical copula estimates; these estimates are used to rigorously implement the triangular (state-by-state univariate) Bayesian inference. The success of the CoRHF is demonstrated on two-dimensional examples and the Lorenz'63 problem. A practical extension to the high-dimensional setting is developed by localizing the empirical copula estimation, and is demonstrated on the Lorenz'96 problem.

97 MATHEMATICS AND COMPUTING↗

Multidimensional histograms

Program computes four dimensional histogram of Landsat multispectral image data. System enhances image handling and significantly reduces reprocessing costs.

Jayroe, R. R., Jr.↗

Landmark Detection in Orbital Images Using Salience Histograms

NASA's planetary missions have collected, and continue to collect, massive volumes of orbital imagery. The volume is such that it is difficult to manually review all of the data and determine its significance. As a result, images are indexed and searchable by location and date but generally not by their content. A new automated method analyzes images and identifies "landmarks," or visually salient features such as gullies, craters, dust devil tracks, and the like. This technique uses a statistical measure of salience derived from information theory, so it is not associated with any specific landmark type. It identifies regions that are unusual or that stand out from their surroundings, so the resulting landmarks are context-sensitive areas that can be used to recognize the same area when it is encountered again. A machine learning classifier is used to identify the type of each discovered landmark. Using a specified window size, an intensity histogram is computed for each such window within the larger image (sliding the window across the image). Next, a salience map is computed that specifies, for each pixel, the salience of the window centered at that pixel. The salience map is thresholded to identify landmark contours (polygons) using the upper quartile of salience values. Descriptive attributes are extracted for each landmark polygon: size, perimeter, mean intensity, standard deviation of intensity, and shape features derived from an ellipse fit.

Wagstaff, Kiri L.↗

Utilizing Brightness Temperature Histograms for Microwave Radiometer High Frequency (150-183 Ghz) Calibration

Spaceborne microwave radiometers with high frequency channels (150-183 GHz) are important for retrieving many geophysical parameters such as snowfall, ice water path, and atmospheric water vapor profiles. In order to obtain accurate retrievals from the brightness temperature measurements, the radiometers must be properly calibrated. Several methods have been developed to analyze the on-orbit calibration, including comparisons with radiative transfer models, comparisons with radiosonde profiles, and cross-calibration with similar radiometers. This paper introduces a new method to calibrate high frequency channels that utilizes TB histograms. This new method gives an independent approach that can be used by itself to analyze radiometer calibration or in conjunction with other methods to corroborate results.

microwave radiometry↗

Method for determining a histogram of variable sample rate waveforms

A computer-implemented method comprises receiving a plurality of sampled data points, each data point including a y value and a t value; defining a plurality of bins; defining an array of elements; dividing the sampled data points into a plurality of sections; assigning a plurality of polynomial equations, one polynomial equation to each section, each polynomial equation having a waveform that fits the data points of the associated section; determining a plurality of section bin times, one section bin time for each bin in each section, each section bin time determined using the polynomial equation and indicating an amount of time that the waveform has values in the range of one of the bins; and adding the section bin time for each bin in each section to the histogram data in the array element pointed to by the number of the bin.

Tohlen, Michael Aaron↗

Register-Like Storage Block Used as Histograms, Cluster Buffers, and Hough Transform Accumulators for HEP Trigger Systems

In high energy physics experiment trigger systems, block memories are utilized for various purposes, especially in binned searching algorithms. In these algorithms, the storages are demanded to perform like a large set of registers. The writing and reading operation must be performed in single clock cycle and once an event is processed, the memory must be globally reset. These demands can be fulfilled with registers but the cost of using registers for large memory is unaffordable. Another common requirement is the boundary coverage feature during reading process. Additionally, when a memory bin is addressed, the stored contents in the addressed bin and its neighboring bin must be output simultaneously. In this paper, a register-like block storage design scheme is described, which allows updating memory locations in single clock cycle, reading two adjacent bins, and effectively refreshing entire memory within a single clock. The implementation and test results are presented.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Flat-histogram extrapolation as a useful tool in the age of big data

In this work, we review recent work by the authors to revisit the concept of extrapolating thermodynamic properties of classical systems using statistical mechanical principles. Specifically, we discuss how the combination of these principles with biased sampling techniques enables the prediction of free energy landscapes and other detailed information, such as structural properties, of the system in question. Remarkably accurate estimates of physical properties across a broad range of conditions have been achieved using this approach, greatly reducing the number of simulations needed to explore a given system's behaviour. While approximate, these extrapolations significantly amplify the amount of reasonably accurate information that can be extracted from simulations enabling a small set of them to feed data-intensive regression algorithms such as neural networks. Thus, this extrapolation methodology represents a useful tool for performing tasks such as high-throughput screening of physical properties, optimising force field parameters, exploring equilibrium phase behaviour, and enabling theory-guided data science for these systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

SHIVER - Spectroscopy HIstogram Visualizer for Event Reduction

Visualizing data from neutron scattering experiments is the first step in understanding the physics. The program is intended to generate and plot cuts and slices, through the four dimensional single crystal inelastic datasets, measured on direct geometry neutron spectrometers at the Spallation Neutron Source (ARCS, CNCS, HYSPEC, SEQUOIA).

Savici, AndreiT [Oak Ridge National Laboratory (OR↗

Method of characterizing residual stress in ferromagnetic materials using a pulse histogram of acoustic emission signals

The invention is a method and apparatus for characterizing residual uniaxial stress in a ferromagnetic test member by distinguishing between residual stresses resulting from positive (tension) forces and negative (compression) forces by using the distinct and known magnetoacoustic (MAC) and a magnetoacoustic emission (MAE) measurement circuit means. A switch permits the selective operation of the respective circuit means.

Namkung, Min↗

A histogram-based technique for rapid vector extraction from PIV photographs

A new analysis technique, performed totally in the image plane, is proposed which rapidly extracts all available vectors from individual interrogation regions on PIV photographs. The technique avoids the need for using Fourier transforms with the associated computational burden. The data acquisition and analysis procedure is described, and results of a preliminary simulation study to evaluate the accuracy of the technique are presented. Recently obtained PIV photographs are analyzed.

Humphreys, William M., Jr.↗

Boundary detection evaluation

Illustrative embodiments are directed to a method and apparatus for evaluating boundary detection in an image. A processed image is received, wherein a detected boundary of an image of an object is identified in the processed image. A Radon transform is applied to the processed image for a plurality of angles to form a processed image histogram corresponding to the detected boundary for each of the plurality of angles. The processed image histogram for each of the plurality of angles and a corresponding ground truth histogram for each of the plurality of angles is normalized to provide a normalized processed image histogram and a normalized ground truth histogram for each of the plurality of angles, wherein the ground truth histogram corresponds to a ground truth boundary of the object for a corresponding angle. An indication of the edges of the normalized processed image histogram for each of the plurality of angles is plotted to form a boundary detection evaluation visualization.

Wantuch, Andrew C.↗