Search NASA⌕ Search

SEARCH · Search NASA

Results for “BOX MODELS”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 1,045 records · Page 58

Computation of selected eigenvalues of generalized eigenvalue problems

The Arnoldi (1951) and Lanczos (1950) iterative algorithms are used to obtain a few selected eigenvalues of the generalized eigenvalue problem A(x) = lambdaB(x), where A and B are n x n nonsymmetric banded complex matrices. A shift-and-invert strategy is used to increase the rate of convergence toward the desired eigenvalues, and the two approaches are evaluated in view of their performance in a model problem concerning the linear stability of compressible boundary layers. A general scheme for computing the eigenvalues that lie within a 'box' in the complex plane is presented.

Nayar, Narinder↗

Classes of Split-Plot Response Surface Designs for Equivalent Estimation

When planning an experimental investigation, we are frequently faced with factors that are difficult or time consuming to manipulate, thereby making complete randomization impractical. A split-plot structure differentiates between the experimental units associated with these hard-to-change factors and others that are relatively easy-to-change and provides an efficient strategy that integrates the restrictions imposed by the experimental apparatus. Several industrial and scientific examples are presented to illustrate design considerations encountered in the restricted randomization context. In this paper, we propose classes of split-plot response designs that provide an intuitive and natural extension from the completely randomized context. For these designs, the ordinary least squares estimates of the model are equivalent to the generalized least squares estimates. This property provides best linear unbiased estimators and simplifies model estimation. The design conditions that allow for equivalent estimation are presented enabling design construction strategies to transform completely randomized Box-Behnken, equiradial, and small composite designs into a split-plot structure.

Parker, Peter A.↗

The Virtual Solar Observatory: Still a Small Box

Two and a half years after a design study began, and a year and a half after development commenced, version 1.0 of the Virtual Solar Observatory (VSO) was released at the 2004 Fall AGU meeting. Although internal elements of the VSO have changed, the basic design has remained the same, reflecting the team's belief in the importance of a simple, robust mechanism for registering data provider holdings, initiating queries at the appropriate provider sites, aggregating the responses, allowing the user to iterate before making a final selection, and enabling the delivery of data directly from the providers. In order to make the VSO transparent, lightweight, and portable, the developers employed XML for the registry, SOAP for communication between a VSO instance and data services, and HTML for the graphic user interface (GUI's). We discuss the internal data model, the API, and user responses to various trial GUI's as typical design issues for any virtual observatory. We also discuss the role of the "small box" of data search, identification, and delivery services provided by the VSO in the larger, Sun-Solar System Connection virtual observatory (VxO) scheme.

Gurman, J. B.↗

FOXM1-activated SIRT4 inhibits NF-κB signaling and NLRP3 inflammasome to alleviate kidney injury and podocyte pyroptosis in diabetic nephropathy

Highlights: • FOXM1 is downregulated in kidney tissues of patients with DN. • Overexpression of FOXM1 alleviates kidney injury in DN modeled mice. • Overexpression of FOXM1 reduces pyroptosis of HG-treated podocytes. • FOXM1 activates SIRT4 to inhibit the NFκB pathway and the NLRP3 inflammasome. • Downregulation of SIRT4 blocks the protective roles of FOXM1 in podocytes and mice. Forkhead box M1 (FOXM1) has been reported to play a protective role against acute kidney injury by driving tubular regeneration. This study aims to probe the function of FOXM1 in diabetic nephropathy (DN) and the molecules involved. FOXM1 was poorly expressed in DN-diseased kidney tissues. A murine model of DN was established, and podocytes cells (MPC5) were treated with high-glucose (HG) for in vitro studies. FOXM1 overexpression improved kidney function and reduced pathological changes in mice, and it increased the expression of the podocyte marker Nephrin in kidney tissues. In vitro, FOXM1 increased viability and reduced pyroptosis of the HG-treated MPC5 cells, and it elevated the expression of the podocyte marker Nephrin whereas reduced the expression of pyroptosis-related NLRP3 inflammasome and cleaved caspase 1. FOXM1 bound to the promoter of sirtuin 4 (SIRT4) to induce transcriptional activation. Downregulation of SIRT4 blocked the protective roles of FOXM1 both in vivo and in vitro. Phosphorylation of nuclear factor-kappa B (NF-κB) in HG-treated cells was suppressed by FOXM1 but restored after SIRT4 inhibition. In conclusion, this study suggested that FOXM1 transcriptionally activates SIRT4 and inhibits NF-κB signaling and the NLRP3 inflammasome to alleviate kidney injury and podocyte pyroptosis in DN.

60 APPLIED LIFE SCIENCES↗

Multiple Radially Aligned Plasmaspheric Structures as Evidence of Standing Hydromagnetic Waves: IMAGE EUV Observations and Forward Modeling

The IMAGE EUV imager has observed several instances where the outer plasmasphere is populated by multiple radially aligned structures resembling "plasmaspheric fingers". The observation of these plasmaspheric structures suggests the presence of an azimuthal standing hydromagnetic wave mode. Eiganmodes appear to explain finger-like. nearly radial density structures that sometimes divide into two structures with increasing radial distance. The implication is of boundaries at fixed local times, which results in a widening "box" in which standing waves are developed. The structures also suggest a single driving frequency for the source of the waves. We present EUV observations of plasmaspheric fingers observed on August 2000 as well as plasmaspheric modeling of azimuthal wave modes in an effort to quantify the origin of these observed structures

Gallagher, D. L.↗

Modeling the smoky troposphere of the southeast Atlantic: a comparison to ORACLES airborne observations from September of 2016

The southeast Atlantic is home to well-defined smoke outflow from Africa coinciding vertically with extensive marine boundary-layer cloud decks, both reaching their climatological maxima in spatial extent around September. A framework is put forth for evaluating the performance of a range of global and regional aerosol models against observations made during the NASA ORACLES (ObseRvations of Aerosols above CLouds and their intEractionS) airborne mission in September 2016. The sparse airborne observations are first aggregated into 2o grid boxes and into three vertical layers: the cloud-topped marine boundary layer (MBL), the layer from cloud top to 3 km, and the 3-6 km layer. Aerosol extensive properties simulated for the entire study region for all September suggest that the 2016 ORACLES observations are reasonably representative of the regional monthly average, with systematic deviations of 30% or less. All six models typically place the bottom of the smoke layer at lower altitudes than do the airborne lidar observations by 300-1400 m, whereas model aerosol top heights are within 0-500 m of the observations. All but one of the models that report carbonaceous aerosol masses underestimate the ratio of particulate extinction to the masses, a proxy for mass extinction efficiency, in 3-6 km. Notable findings on individual models include that WRF-CAM5 predicts the mass of black carbon and organic aerosols with minor (~10% or less) biases. GEOS-5 overestimates the carbonaceous particle masses in the MBL by a factor of 3-6. Extinction coefficients in the free troposphere (FT) and above-cloud aerosol optical depth (ACAOD) are 10-30% lower in WRF-CAM5, 30-50% lower in GEOS-5, 10-40% higher in GEOS-Chem, 10-20% higher in EAM-E3SM except for the practically unbiased 3-6 km extinction, and 20-70% lower in the Unified Model, than the airborne in situ, lidar and sunphotometer measurements. ALADIN-Climate also underestimates the ACAOD, by 30%. GEOS-5 and GEOS-Chem predict carbon monoxide in the MBL with small (10% or less) negative biases, despite their overestimates of carbonaceous aerosol masses. Overall, this study highlights a new approach to utilizing airborne aerosol measurements for model diagnosis.

Shinozuka, Yohei↗

How to see hidden patterns in metamaterials with interpretable machine learning

Machine learning models can assist with metamaterials design by approximating computationally expensive simulators or solving inverse design problems. However, past work has usually relied on black box deep neural networks, whose reasoning processes are opaque and require enormous datasets that are expensive to obtain. Here, in this work, we develop two novel machine learning approaches to metamaterials discovery that have neither of these disadvantages. These approaches, called shape-frequency features and unit-cell templates, can discover 2D metamaterials with user-specified frequency band gaps. Our approaches provide logical rule-based conditions on metamaterial unit-cells that allow for interpretable reasoning processes, and generalize well across design spaces of different resolutions. The templates also provide design flexibility where users can almost freely design the fine resolution features of a unit-cell without affecting the user’s desired band gap.

36 MATERIALS SCIENCE↗

Developing and Testing a Physics Guided Machine Learning NeuralNetwork to Predict Tonal Noise Emitted by a Propeller

Artificial neural networks offer a highly nonlinear and adaptive model for predicting complex interactions between input-output parameters. However, these networks require large datasets which often exceed practical considerations in modeling experimental results. To alleviate the dataset size requirement, a method known as physics guided machine learning has been applied to construct several neural networks for predicting propeller tonal noise in the time domain over a broad range of flight conditions. Three space-filling designs, namely, Latin-Hypercube, Sphere-Packing, and Grid-Space, were used to distribute points throughout the input parameter space encompassing nondimensional flight conditions and observer geometry. Each neural network’s performance was validated by conditions outside of the training set and compared to the Propeller Analysis System tool from the NASA Aircraft Noise Prediction Program. Compared to the Grid-Space input design, the Latin-Hypercube and the Sphere-Packing designs provided a better representation of the domain for training. Regarding the network archetype, a fully connected perceptron was found to outperform the partially connected perceptron in their ability to predict tonal noise for small datasets. The black-box nature of these neural networks was also explored to understand how the networks constructed the waveform and understand why some network designs produce better models.

Propeller noise↗

Probabilistic error estimation for non-intrusive reduced models learned from data of systems governed by linear parabolic partial differential equations

This work derives a residual-based a posteriori error estimator for reduced models learned with non-intrusive model reduction from data of high-dimensional systems governed by linear parabolic partial differential equations with control inputs. It is shown that quantities that are necessary for the error estimator can be either obtained exactly as the solutions of least-squares problems in a non-intrusive way from data such as initial conditions, control inputs, and high-dimensional solution trajectories or bounded in a probabilistic sense. Here, the computational procedure follows an offline/online decomposition. In the offline (training) phase, the high-dimensional system is judiciously solved in a black-box fashion to generate data and to set up the error estimator. In the online phase, the estimator is used to bound the error of the reduced-model predictions for new initial conditions and new control inputs without recourse to the high-dimensional system. Numerical results demonstrate the workflow of the proposed approach from data to reduced models to certified predictions.

97 MATHEMATICS AND COMPUTING↗

D and D decision model and mobile application for selection of fixative, strippable coating, and decontamination gel products - 15696

Deactivation and decommissioning (D and D) is the process of taking an active/excess/abandoned facility to a final disposition end state. D and D presents unique hazards that must be addressed from a safety, programmatic, environmental, and technological standpoint. This definition is especially applicable to Savannah River Site's 235-F facility. The facility was constructed in the 1950's as part of the weapons complex materials production and fabrication. The most significant quantities of residual contamination remaining in 235-F building is in the form of Plutonium-238. A Decision Model was created using MatLab to work hand-in-hand with a product list containing commercially available D and D products. This model was created to further enhance and accelerate the decontamination process. It is envisioned that D and D engineers will be able to use this Decision Model in the field via a mobile device. It allows the user to select four inputs to match their situation. The model searches the database and returns the products that fit the criteria selected by the user. This Decision Model will be made available in a web-based application and as a mobile application to ensure end users can access it when needed. The MatLab code recognizes what position in the text box is selected and then this input is converted to the corresponding string. The string is then compared with the information in the product list in the specified column in order to reduce processing time. Then the products that contain the string inputted are displayed on the table and are separated by category. The web-based version of the model will receive three specified criteria and sub-criteria from the user and update the table with products that fit each criteria. A web-based version of this Decision Model is under way and will be set up on the D and D KM-IT platform. There will be two versions of this mobile application: for devices with internet connection and for those that do not have internet connection. This will ensure end users have access to the Decision application at any time or place during the D and D process. A mobile version of the model will also be developed in the near future.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Mesoscopic-microscopic spatial stochastic simulation with automatic system partitioning

The reaction-diffusion master equation (RDME) is a model that allows for efficient on-lattice simulation of spatially resolved stochastic chemical kinetics. Compared to off-lattice hard-sphere simulations with Brownian dynamics or Green’s function reaction dynamics, the RDME can be orders of magnitude faster if the lattice spacing can be chosen coarse enough. However, strongly diffusion-controlled reactions mandate a very fine mesh resolution for acceptable accuracy. It is common that reactions in the same model differ in their degree of diffusion control and therefore require different degrees of mesh resolution. This renders mesoscopic simulation inefficient for systems with multiscale properties. Mesoscopic-microscopic hybrid methods address this problem by resolving the most challenging reactions with a microscale, off-lattice simulation. However, all methods to date require manual partitioning of a system, effectively limiting their usefulness as “black-box” simulation codes. In this paper, we propose a hybrid simulation algorithm with automatic system partitioning based on indirect a priori error estimates. We demonstrate the accuracy and efficiency of the method on models of diffusion-controlled networks in 3D.

97 MATHEMATICS AND COMPUTING↗

Towards a fully automated algorithm driven platform for biosystems design

Large-scale data acquisition and analysis are often required in the successful implementation of the design, build, test, and learn (DBTL) cycle in biosystems design. However, it has long been hindered by experimental cost, variability, biases, and missed insights from traditional analysis methods. Here, we report the application of an integrated robotic system coupled with machine learning algorithms to fully automate the DBTL process for biosystems design. As proof of concept, we have demonstrated its capacity by optimizing the lycopene biosynthetic pathway. This fully-automated robotic platform, BioAutomata, evaluates less than 1% of possible variants while outperforming random screening by 77%. A paired predictive model and Bayesian algorithm select experiments which are performed by Illinois Biological Foundry for Advanced Biomanufacturing (iBioFAB). BioAutomata excels with black-box optimization problems, where experiments are expensive and noisy and the success of the experiment is not dependent on extensive prior knowledge of biological mechanisms.

59 BASIC BIOLOGICAL SCIENCES↗

LoFEx — A local framework for calculating excitation energies: Illustrations using RI-CC2 linear response theory

We introduce a local framework for the calculation of coupled cluster excitation energies of large molecules (LoFEx). The technique utilizes time-dependent Hartree-Fock information about the transitions of interest through the concept of natural transition orbitals (NTOs). The NTOs are used in combination with localized occupied and virtual Hartree-Fock orbitals to generate a reduced excitation orbital space (XOS) specific to each transition where a standard coupled cluster calculation is carried out. Each XOS is optimized to ensure that the excitation energies are determined to a predefined precision. We apply LoFEx in combination with the RI-CC2 model to calculate the lowest excitation energies of a set of medium-sized organic molecules. The findings demonstrate the black-box nature of the LoFEx approach and show that significant computational savings can be gained without affecting the accuracy of CC2 excitation energies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Parameter-free driven Liouville-von Neumann approach for time-dependent electronic transport simulations in open quantum systems

A parameter-free version of the recently developed driven Liouville-von Neumann equation [T. Zelovich et al., J. Chem. Theory Comput. 10(8), 2927-2941 (2014)] for electronic transport calculations in molecular junctions is presented. The single driving rate, appearing as a fitting parameter in the original methodology, is replaced by a set of state-dependent broadening factors applied to the different single-particle lead levels. These broadening factors are extracted explicitly from the self-energy of the corresponding electronic reservoir and are fully transferable to any junction incorporating the same lead model. Furthermore, the performance of the method is demonstrated via tight-binding and extended Hückel calculations of simple junction models. Our analytic considerations and numerical results indicate that the developed methodology constitutes a rigorous framework for the design of "black-box" algorithms to simulate electron dynamics in open quantum systems out of equilibrium.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Automated Energy-Dispersive X-ray Spectroscopy Analysis for Multi-Modal Few-Shot Learning

Scanning transmission electron microscopy (STEM) is a powerful tool that allows for the atomic-scale analysis of a materials’ structure, chemistry, and defect domains (Akers et al. 2021). The current generation of microscopes generate vast amounts of data, surpassing the limits of effective manual analysis traditionally performed by domain experts (Spurgeon et al. 2021). While recent strides in machine learning have significantly enhanced the processing of large and intricate datasets acquired through electron microscopy, the prevalent use of proprietary software packages for initial data collection poses a challenge. In many cases, these software packages act as a ‘black box’, constraining user functionality and hindering the output of data in a format that is conducive to seamless integration into machine learning models. This work addresses these challenges by adapting HyperSpy, an open-source Python library, for the analysis and quantification of raw energy dispersive spectroscopy (EDS) data acquired through STEM. The modified HyperSpy code successfully facilitates user-defined segmentation of the data, enabling the integration of atomic %, weight %, and raw EDS spectra for each segmented region into an existing few-shot machine learning model. While initial results reveal discrepancies in quantified atomic and weight percentages when compared to proprietary software, ongoing efforts aim to rectify this issue by refining the fit of the HyperSpy model to the EDS spectra. Overall, this research underscores the potential of open-source tools like HyperSpy to enhance the accessibility of analytical tools, fostering a transparent and user-friendly environment for seamlessly incorporating electron microscopy data into machine learning models.

36 MATERIALS SCIENCE↗

Analysis of a parallelized nonlinear elliptic boundary value problem solver with application to reacting flows

A parallelized finite difference code based on the Newton method for systems of nonlinear elliptic boundary value problems in two dimensions is analyzed in terms of computational complexity and parallel efficiency. An approximate cost function depending on 15 dimensionless parameters is derived for algorithms based on stripwise and boxwise decompositions of the domain and a one-to-one assignment of the strip or box subdomains to processors. The sensitivity of the cost functions to the parameters is explored in regions of parameter space corresponding to model small-order systems with inexpensive function evaluations and also a coupled system of nineteen equations with very expensive function evaluations. The algorithm was implemented on the Intel Hypercube, and some experimental results for the model problems with stripwise decompositions are presented and compared with the theory. In the context of computational combustion problems, multiprocessors of either message-passing or shared-memory type may be employed with stripwise decompositions to realize speedup of O(n), where n is mesh resolution in one direction, for reasonable n.

Keyes, David E.↗

NASA standard: Trend analysis techniques

This Standard presents descriptive and analytical techniques for NASA trend analysis applications. Trend analysis is applicable in all organizational elements of NASA connected with, or supporting, developmental/operational programs. Use of this Standard is not mandatory; however, it should be consulted for any data analysis activity requiring the identification or interpretation of trends. Trend Analysis is neither a precise term nor a circumscribed methodology, but rather connotes, generally, quantitative analysis of time-series data. For NASA activities, the appropriate and applicable techniques include descriptive and graphical statistics, and the fitting or modeling of data by linear, quadratic, and exponential models. Usually, but not always, the data is time-series in nature. Concepts such as autocorrelation and techniques such as Box-Jenkins time-series analysis would only rarely apply and are not included in this Standard. The document presents the basic ideas needed for qualitative and quantitative assessment of trends, together with relevant examples. A list of references provides additional sources of information.

Source record↗

NASA standard: Trend analysis techniques

Descriptive and analytical techniques for NASA trend analysis applications are presented in this standard. Trend analysis is applicable in all organizational elements of NASA connected with, or supporting, developmental/operational programs. This document should be consulted for any data analysis activity requiring the identification or interpretation of trends. Trend analysis is neither a precise term nor a circumscribed methodology: it generally connotes quantitative analysis of time-series data. For NASA activities, the appropriate and applicable techniques include descriptive and graphical statistics, and the fitting or modeling of data by linear, quadratic, and exponential models. Usually, but not always, the data is time-series in nature. Concepts such as autocorrelation and techniques such as Box-Jenkins time-series analysis would only rarely apply and are not included in this document. The basic ideas needed for qualitative and quantitative assessment of trends along with relevant examples are presented.

Source record↗