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At least 1,423 records · Page 79

Sao Paulo Lightning Mapping Array (SP-LMA): Deployment, Operation and Initial Data Analysis

An 8-10 station Lightning Mapping Array (LMA) network is being deployed in the vicinity of Sao Paulo to create the SP-LMA for total lightning measurements in association with the international CHUVA [Cloud processes of the main precipitation systems in Brazil: A contribution to cloud resolving modeling and to the GPM (Global Precipitation Measurement)] field campaign. Besides supporting CHUVA science/mission objectives and the Sao Luiz do Paraitinga intensive operation period (IOP) in November-December 2011, the SP-LMA will support the generation of unique proxy data for the Geostationary Lightning Mapper (GLM) and Advanced Baseline Imager (ABI), both sensors on the NOAA Geostationary Operational Environmental Satellite-R (GOES-R), presently under development and scheduled for a 2015 launch. The proxy data will be used to develop and validate operational algorithms so that they will be ready for use on "day1" following the launch of GOES-R. A preliminary survey of potential sites in the vicinity of Sao Paulo was conducted in December 2009 and January 2010, followed up by a detailed survey in July 2010, with initial network deployment scheduled for October 2010. However, due to a delay in the Sao Luiz do Paraitinga IOP, the SP-LMA will now be installed in July 2011 and operated for one year. Spacing between stations is on the order of 15-30 km, with the network "diameter" being on the order of 30-40 km, which provides good 3-D lightning mapping 150 km from the network center. Optionally, 1-3 additional stations may be deployed in the vicinity of Sao Jos dos Campos.

Blakeslee, R.↗

Improving microstructures segmentation via pretraining with synthetic data

Image analysis of material microstructures through microscopy is an integral capability in the field of materials science. The topological and chemical information obtained through microscopy allow us to draw vital connections between material microstructures, properties, and processing. While scanning electron microscopy (SEM) is able to yield a considerable wealth of information interpretable by the intuition of experts, there has been considerable interest in using machine learning, convolutional neural networks (CNNs) in particular, for such image analysis task. Training CNNs for an image analysis task requires a large annotated dataset. However, in many materials science applications, obtaining a large annotated dataset is cost and labor intensive. In this work, we study the use of synthetic data to enlarge the available annotated experimental data of uranium oxide. We utilize a modified Potts model to simulate uranium oxide particles with morphologies similar to those observed experimentally. We then leverage an image-to-image translation model to synthesize the simulated particles as if they are acquired with SEM. Through this process, we obtain pairs of particle images and their corresponding SEM representations, which corresponds to pairs of annotations and images. Unlike previous works, we leverage synthetic data for pretraining a CNN model prior, and finetune that model further with experimental data. We experimentally demonstrate that using synthetic data as incremental learning process benefits the overall performance compared to training a model on combined synthetic and experimental data.

36 MATERIALS SCIENCE↗

DONUT: physics-aware machine learning for real-time X-ray nanodiffraction analysis

Coherent X-ray scattering techniques are critical for investigating the fundamental structural properties of materials at the nanoscale. While advancements have made these experiments more accessible, real-time analysis remains a significant bottleneck, often hindered by artifacts and computational demands. In scanning X-ray nanodiffraction microscopy, which is widely used to spatially resolve structural heterogeneities, this challenge is compounded by the convolution of the divergent beam with the sample’s local structure. To address this, we introduce DONUT (Diffraction with Optics for Nanobeam by Unsupervised Training), a physics-aware neural network designed for the rapid and automated analysis of nanobeam diffraction data. By incorporating a differentiable geometric diffraction model directly into its architecture, DONUT learns to predict crystal lattice strain and orientation in real-time. Crucially, this is achieved without reliance on labeled datasets or pre-training, overcoming a fundamental limitation for supervised machine learning in X-ray science. We demonstrate experimentally that DONUT accurately extracts all features within the data over 200 times more efficiently than conventional fitting methods.

Materials science↗

DONUT: Physics-aware Machine Learning for Real-time X-ray Nanodiffraction Analysis

SF-25-088 Coherent X-ray scattering techniques are critical for investigating the fundamental structural properties of materials at the nanoscale. While advancements have made these experiments more accessible, real-time analysis remains a significant bottleneck, often hindered by artifacts and computational demands. In scanning X-ray nanodiffraction microscopy, which is widely used to spatially resolve structural heterogeneities, this challenge is compounded by the convolution of the divergent beam with the sample’s local structure. To address this, we introduce DONUT (Diffraction with Optics for Nanobeam by Unsupervised Training), a physics-aware neural network designed for the rapid and automated analysis of nanobeam diffraction data. By incorporating a differentiable geometric diffraction model directly into its architecture, DONUT learns to predict crystal lattice strain and orientation in real-time. Crucially, this is achieved without reliance on labeled datasets or pre-training, overcoming a fundamental limitation for supervised machine learning in X-ray science. We demonstrate experimentally that DONUT accurately extracts all features within the data over 200 times more efficiently than conventional fitting methods.

Zhou, Tao [Argonne National Laboratory (ANL), Argo↗

WRATS Integrated Data Acquisition System

The Wing and Rotor Aeroelastic Test System (WRATS) data acquisition system (DAS) is a 64-channel data acquisition display and analysis system specifically designed for use with the WRATS 1/5-scale V-22 tiltrotor model of the Bell Osprey. It is the primary data acquisition system for experimental aeroelastic testing of the WRATS model for the purpose of characterizing the aeromechanical and aeroelastic stability of prototype tiltrotor configurations. The WRATS DAS was also used during aeroelastic testing of Bell Helicopter Textron s Quad-Tiltrotor (QTR) design concept, a test which received international attention. The LabVIEW-based design is portable and capable of powering and conditioning over 64 channels of dynamic data at sampling rates up to 1,000 Hz. The system includes a 60-second circular data archive, an integrated model swashplate excitation system, a moving block damping application for calculation of whirl flutter mode subcritical damping, a loads and safety monitor, a pilot-control console display, data analysis capabilities, and instrumentation calibration functions. Three networked computers running custom-designed LabVIEW software acquire data through National Instruments data acquisition hardware. The aeroelastic model (see figure) was tested with the DAS at two facilities at NASA Langley, the Transonic Dynamics Tunnel (TDT) and the Rotorcraft Hover Test Facility (RHTF). Because of the need for seamless transition between testing at these facilities, DAS is portable. The software is capable of harmonic analysis of periodic time history data, Fast Fourier Transform calculations, power spectral density calculations, and on-line calibration of test instrumentation. DAS has a circular buffer archive to ensure critical data is not lost in event of model failure/incident, as well as a sample-and-hold capability for phase-correct time history data.

Piatak, David J.↗

A systematic approach to generating accurate neural network potentials: the case of carbon

Abstract Availability of affordable and widely applicable interatomic potentials is the key needed to unlock the riches of modern materials modeling. Artificial neural network-based approaches for generating potentials are promising; however, neural network training requires large amounts of data, sampled adequately from an often unknown potential energy surface. Here we propose a self-consistent approach that is based on crystal structure prediction formalism and is guided by unsupervised data analysis, to construct an accurate, inexpensive, and transferable artificial neural network potential. Using this approach, we construct an interatomic potential for carbon and demonstrate its ability to reproduce first principles results on elastic and vibrational properties for diamond, graphite, and graphene, as well as energy ordering and structural properties of a wide range of crystalline and amorphous phases.

Chemistry↗

Inferring microbial co-occurrence networks from amplicon data: a systematic evaluation

Microbes commonly organize into communities consisting of hundreds of species involved in complex interactions with each other. 16S ribosomal RNA (16S rRNA) amplicon profiling provides snapshots that reveal the phylogenies and abundance profiles of these microbial communities. These snapshots, when collected from multiple samples, can reveal the co-occurrence of microbes, providing a glimpse into the network of associations in these communities. However, the inference of networks from 16S data involves numerous steps, each requiring specific tools and parameter choices. Moreover, the extent to which these steps affect the final network is still unclear. In this study, we perform a meticulous analysis of each step of a pipeline that can convert 16S sequencing data into a network of microbial associations. Through this process, we map how different choices of algorithms and parameters affect the co-occurrence network and identify the steps that contribute substantially to the variance. We further determine the tools and parameters that generate robust co-occurrence networks and develop consensus network algorithms based on benchmarks with mock and synthetic data sets. The Microbial Co-occurrence Network Explorer, or MiCoNE (available at https://github.com/segrelab/MiCoNE) follows these default tools and parameters and can help explore the outcome of these combinations of choices on the inferred networks. We envisage that this pipeline could be used for integrating multiple data sets and generating comparative analyses and consensus networks that can guide our understanding of microbial community assembly in different biomes.

16S rRNA↗

Neurobiological computational models in structural analysis and design

The present paper examines the role of neural computing strategies in structural analysis and design. A principal focus of the work resides in the use of neural networks to represent the force-displacement relationship in static structural analysis. Such models provide computationally efficient capabilities for reanalysis, and appear to be well suited for application in numerical optimum design. The paper presents an overview of the neural computing approach, with special emphasis on supervised learning techniques adopted in the present work. Special features of such learning strategies which have a direct bearing on numerical accuracy and efficiency, are examined in the context of representative structural optimization problems.

Hajela, P.↗

Neurobiological computational models in structural analysis and design

This paper examines the role of neural computing strategies in structural analysis and design. A principal focus of the work resides in the use of neural networks to represent the force-displacement relationship in static structural analysis. Such models provide computationally efficient capabilities for reanalysis, and appear to be well suited for application in numerical optimum design. The paper presents an overview of the neutral computing approach, with special emphasis on supervised learning techniques adopted in the present work. Special features of such learning strategies which have a direct bearing on numerically accuracy and efficiency, are examined in the context of representative structural optimization problems.

Hajela, P.↗

Supporting Scientific Analysis within Collaborative Problem Solving Environments

Collaborative problem solving environments for scientists should contain the analysis tools the scientists require in addition to the remote collaboration tools used for general communication. Unfortunately, most scientific analysis tools have been designed for a "stand-alone mode" and cannot be easily modified to work well in a collaborative environment. This paper addresses the questions, "What features are desired in a scientific analysis tool contained within a collaborative environment?", "What are the tool design criteria needed to provide these features?", and "What support is required from the architecture to support these design criteria?." First, the features of scientific analysis tools that are important for effective analysis in collaborative environments are listed. Next, several design criteria for developing analysis tools that will provide these features are presented. Then requirements for the architecture to support these design criteria are listed. Sonic proposed architectures for collaborative problem solving environments are reviewed and their capabilities to support the specified design criteria are discussed. A deficiency in the most popular architecture for remote application sharing, the ITU T. 120 architecture, prevents it from supporting highly interactive, dynamic, high resolution graphics. To illustrate that the specified design criteria can provide a highly effective analysis tool within a collaborative problem solving environment, a scientific analysis tool that contains the specified design criteria has been integrated into a collaborative environment and tested for effectiveness. The tests were conducted in collaborations between remote sites in the US and between remote sites on different continents. The tests showed that the tool (a tool for the visual analysis of computer simulations of physics) was highly effective for both synchronous and asynchronous collaborative analyses. The important features provided by the tool (and made possible by the specified design criteria) are: 1. The tool provides highly interactive, dynamic, high resolution, 3D graphics. 2. All remote scientists can view the same dynamic, high resolution, 3D scenes of the analysis as the analysis is being conducted. 3. The responsiveness of the tool is nearly identical to the responsiveness of the tool in a stand-alone mode. 4. The scientists can transfer control of the analysis between themselves. 5. Any analysis session or segment of an analysis session, whether done individually or collaboratively, can be recorded and posted on the Web for other scientists or students to download and play in either a collaborative or individual mode. 6. The scientist or student who downloaded the session can, individually or collaboratively, modify or extend the session with his/her own "what if" analysis of the data and post his/her version of the analysis back onto the Web. 7. The peak network bandwidth used in the collaborative sessions is only 1K bit/second even though the scientists at all sites are viewing high resolution (1280 x 1024 pixels), dynamic, 3D scenes of the analysis. The links between the specified design criteria and these performance features are presented.

Watson, Velvin R.↗

buhito

buhito is a Python library for graph analysis and machine learning. Graphs can represent networks with objects as nodes and their relationships as edges. buhito focuses on graphlet methods that study graphs through enumerating their component subgraphs to enable interpretable and fast models of complex systems. The package provides tools for different algorithmic designs for computing, analyzing, and applying graphlets to research problems such as machine learning, data compression, and anomaly detection in graph-structured data. A central feature is performing decomposition data analysis on graphs for machine learning models. Implemented in Python and built upon open-source scientific libraries such as NetworkX, NumPy, and SciPy, buhito provides high-performance methods for researchers exploring the mathematical and computational foundations of graphlet analysis applicable to systems of different sizes.

Pimonova, Yulia↗

Development of a Bayesian Belief Network Runway Incursion Model

In a previous paper, a statistical analysis of runway incursion (RI) events was conducted to ascertain their relevance to the top ten Technical Challenges (TC) of the National Aeronautics and Space Administration (NASA) Aviation Safety Program (AvSP). The study revealed connections to perhaps several of the AvSP top ten TC. That data also identified several primary causes and contributing factors for RI events that served as the basis for developing a system-level Bayesian Belief Network (BBN) model for RI events. The system-level BBN model will allow NASA to generically model the causes of RI events and to assess the effectiveness of technology products being developed under NASA funding. These products are intended to reduce the frequency of RI events in particular, and to improve runway safety in general. The development, structure and assessment of that BBN for RI events by a Subject Matter Expert panel are documented in this paper.

Green, Lawrence L.↗

A Direct Probe of the Hydrogen Bond Network in Aqueous Glycerol Aerosols

The properties of aerosols are of paramount importance in atmospheric chemistry and human health. The hydrogen bond network of glycerol-water aerosols generated from an aqueous solution with different mixing ratios is probed directly with X-ray photoelectron spectroscopy. The carbon and oxygen X-ray spectra reveal contributions from gas and condensed phase components of the aerosol. It is shown that water suppresses glycerol evaporation up to a critical mixing ratio. A dielectric analysis using terahertz spectroscopy coupled with infrared spectroscopy of the bulk solutions provides a picture of the microscopic heterogeneity prevalent in the hydrogen bond network when combined with the photoelectron spectroscopy analysis. The hydrogen bond network is composed of three intertwined regions. At low concentrations, glycerol molecules are surrounded by water forming a solvated water network. Adding more glycerol leads to a confined water network, maximizing at 22 mol %, beyond which the aerosol resembles bulk glycerol. This microscopic view of hydrogen bonding networks holds promise in probing evaporation, diffusion dynamics, and reactivity in aqueous aerosols.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

FORCE Integration with DRAFT and IDAES

Integrated energy systems (IES) combine, in mutually beneficial ways, power from variable renewable energy sources and nuclear power plants (NPP) to produce multiple commodities and improve economic viability under uncertain market conditions. Technical and economic analysis of IES requires modeling of complex processes with software models having enough fidelity to capture real-world dynamics while still being capable of running using reasonable computing resources. The open-source Framework for Optimization of Resources and Economics (FORCE) tool suite, developed at Idaho National Laboratory (INL), has enabled comprehensive modeling and simulation of IES. The capabilities within FORCE include grid portfolio optimization through the Holistic Energy Resource Optimization Network (HERON) and the transient process model analysis library HYBRID, among others. Recent developments for the FORCE toolset have centered on strengthening the flexibility and modularity to link with external models and other available software to enhance IES simulations. Adding versatility to the FORCE toolset improves capability resulting in better techno-economic simulation of nuclear and IES components (both in potential higher fidelity and accuracy to expected performance after deployment). It also helps leverage existing work in the IES field and improve efficiency in national code development. This report focuses on two such endeavors: integration of the Dynamic Reliability Analysis Framework Tool (DRAFT) and the Design Integration and Synthesis Platform to Advance Tightly Coupled Hybrid Energy Systems (DISPATCHES) software packages into FORCE.

97 MATHEMATICS AND COMPUTING↗

The microbursts of 22 June 1982 in JAWS

The development of several large thunderstorms that occurred on June 22, 1982 within the Joint Airport Weather Studies (JAWS) network near Denver, Colorado is examined together with that of six microbursts and one microburst line produced by the storms. From the analysis of single and multiple Doppler radar and surface network data, it is concluded that the microbursts on June 22 were predominantly driven by microphysical and related thermodynamic effects due to precipitation loading and water-phase change; dynamic effects did not appear to be of primary importance. Surface network observations permitted identification of some of the microbursts, but early detection was not possible.

Hjelmfelt, M. R.↗

Efficient Analysis of Complex Structures

Last various accomplishments achieved during this project are : (1) A Survey of Neural Network (NN) applications using MATLAB NN Toolbox on structural engineering especially on equivalent continuum models (Appendix A). (2) Application of NN and GAs to simulate and synthesize substructures: 1-D and 2-D beam problems (Appendix B). (3) Development of an equivalent plate-model analysis method (EPA) for static and vibration analysis of general trapezoidal built-up wing structures composed of skins, spars and ribs. Calculation of all sorts of test cases and comparison with measurements or FEA results. (Appendix C). (4) Basic work on using second order sensitivities on simulating wing modal response, discussion of sensitivity evaluation approaches, and some results (Appendix D). (5) Establishing a general methodology of simulating the modal responses by direct application of NN and by sensitivity techniques, in a design space composed of a number of design points. Comparison is made through examples using these two methods (Appendix E). (6) Establishing a general methodology of efficient analysis of complex wing structures by indirect application of NN: the NN-aided Equivalent Plate Analysis. Training of the Neural Networks for this purpose in several cases of design spaces, which can be applicable for actual design of complex wings (Appendix F).

Kapania, Rakesh K.↗