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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 91 records · Page 5

Experimental Observations of the Topology of Convolutional Neural Network Activations

Topological data analysis (TDA) is a branch of computational mathematics, bridging algebraic topology and data science, that provides compact, noise-robust representations of complex structures. Deep neural networks (DNNs) learn millions of parameters associated with a series of transformations defined by the model architecture resulting in high-dimensional, difficult to interpret internal representations of input data. As DNNs become more ubiquitous across multiple sectors of our society, there is increasing recognition that mathematical methods are needed to aid analysts, researchers, and practitioners in understanding and interpreting how these models' internal representations relate to the final classification. In this paper we apply cutting edge techniques from TDA with the goal of gaining insight towards interpretability of convolutional neural networks used for image classification. We use two common TDA approaches to explore several methods for modeling hidden layer activations as high-dimensional point clouds, and provide experimental evidence that these point clouds capture valuable structural information about the model's process. First, we demonstrate that a distance metric based on persistent homology can be used to quantify meaningful differences between layers and discuss these distances in the broader context of existing representational similarity metrics for neural network interpretability. Second, we show that a mapper graph can provide semantic insight as to how these models organize hierarchical class knowledge at each layer. These observations demonstrate that TDA is a useful tool to help deep learning practitioners unlock the hidden structures of their models.

topological data analysis, deep learning↗

DiaMonD: An Integrated Multifaceted Approach to Mathematics at the Interfaces of Data, Models, and Decisions

DiaMonD is a multi-institutional DOE MMICC effort that aims to address the challenges of end-to-end, data-to-decisions modeling and simulation for complex computational science and engineering problems in a unified, systematic, and integrated fashion. Institutions involved are Colorado State, Florida State, Los Alamos, MIT, Oak Ridge, Stanford, and UT-Austin. The goals of DiaMonD are (1) to develop advanced mathematical methods and analysis for multimodel, multiphysics, multiscale model problems driven by frontier DOE applications, including those in subsurface energy and environmental flows, materials for energy storage and conversion, and ice sheet dynamics; (2) to create theory and algorithms for integrated inversion, optimization, and uncertainty quantification for these complex problems; and (3) to disseminate the philosophy of an integrated end-to-end, data-to-decisions approach to modeling and simulation of complex problems to the broader applied math and computational science communities through workshops and other outreach.

42 ENGINEERING↗

Advanced Fuel Cycle Cost Basis Report: Supporting Documents 3 Cost Correlations

This chapter provides an overview of the drivers for developing correlation coefficients, status on efforts to develop partial correlation coefficients, and recommended next steps. Mathematical methods for developing and using correlation coefficients were previously documented by the FCO EWG in Chapters 6 and 7 of [Ganda 2014].

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Applications of Fuzzy Logic for Tritium Sensing Technology

Fuzzy Logic is a mathematical method that can represent human-like decisions by analyzing vagueness. The project is a practical approach for evaluating sensors using a fuzzy group best-worst method. Results What is the best sensor? The fuzzy logic methods give an answer to that through a selection system. The relationship between the inputs and the outputs gives consumers an understanding of how the best sensor was found through a scoring of each quality/criteria and their corresponding sub-criteria through expert opinion.

Holman, Allyson↗

The Local Topological Free Energy of the SARS-CoV-2 Spike Protein

The novel coronavirus SARS-CoV-2 infects human cells using a mechanism that involves binding and structural rearrangement of its Spike protein. Understanding protein rearrangement and identifying specific amino acids where mutations affect protein rearrangement has attracted much attention for drug development. In this manuscript, we use a mathematical method to characterize the local topology/geometry of the SARS-CoV-2 Spike protein backbone. Our results show that local conformational changes in the FP, HR1, and CH domains are associated with global conformational changes in the RBD domain. The SARS-CoV-2 variants analyzed in this manuscript (alpha, beta, gamma, delta Mink, G614, N501) show differences in the local conformations of the FP, HR1, and CH domains as well. Finally, most mutations of concern are either in or in the vicinity of high local topological free energy conformations, suggesting that high local topological free energy conformations could be targets for mutations with significant impact of protein function. Namely, the residues 484, 570, 614, 796, and 969, which are present in variants of concern and are targeted as important in protein function, are predicted as such from our model.

60 APPLIED LIFE SCIENCES↗

Automatic computation of data-set definitions

Mathematical method for the construction of a computer program data set description from a computer program contains detailed declarative information. Cartesian products and disjoint-union operators are used to yield a series of recursive group equations.

Reynolds, J. C.↗

Analysis of transonic airfoils.

A finite difference scheme for the analysis of transonic airfoils at off-design conditions is described. It is the ultimate goal of the investigations to avoid expensive wind tunnel tests by combining the mathematical techniques in a procedure for designing supercritical airfoils so that they will be effective over a wider range of angles of attack and Mach numbers. A mathematical method is considered for computing two-dimensional transonic flows past a prescribed profile. The method can provide accurate results for a comparison with a known shockless regime. The approach gives also data of engineering reliability concerning the location and the strength of shocks at off-design conditions.

Garabedian, P. R.↗

Mixing-controlled supersonic combustion.

The technology of supersonic combustion and its practical significance for hypersonic flight are reviewed. It is shown that this technology makes possible a good qualitative and quantitative understanding of the physical phenomena related to the process of supersonic combustion. Some of the more important, summarized aspects of this technology include the physical description of the supersonic combustion flame, the chemical reaction rates and the diffusion process involved, the interaction between combustion and fluid dynamics, and the mathematical methods of supersonic combustion analysis.

Ferri, A.↗

Theoretical investigations on plasma processes in the Kaufman thruster

The lateral neutralization of ion beams is treated by standard mathematical methods for first order, nonlinear partial differential equations. A closed form analytical solution is derived for the transient lateral beam neutralization for electron injection by means of a von Mises transformation. A nonlinear theory of the longitudinal ion beam neutralization is developed using the von Mises transformation. By means of the Lenard-Balescu equation, the intercomponent momentum transfer between stable, collisionless electron and ion components is calculated.

Wilhelm, H. E.↗

Second-order small disturbance theory for hypersonic flow over power-law bodies

A mathematical method for determining the flow field about power-law bodies in hypersonic flow conditions is developed. The second-order solutions, which reflect the effects of the second-order terms in the equations, are obtained by applying the method of small perturbations in terms of body slenderness parameter to the zeroth-order solutions. The method is applied by writing each flow variable as the sum of a zeroth-order and a perturbation function, each multiplied by the axial variable raised to a power. The similarity solutions are developed for infinite Mach number. All results obtained are for no flow through the body surface (as a boundary condition), but the derivation indicates that small amounts of blowing or suction through the wall can be accommodated.

Townsend, J. C.↗

U.S. National Congress of Applied Mechanics, 7th, University of Colorado, Boulder, Colo., June 3-7, 1974, Proceedings

A series of experimental, theoretical, and review papers dealing with various aspects of applied mechanics, including structural analysis, mathematical methods, and fluid dynamics. Some of the topics covered are: the direct formulation of two-dimensional mechanics problems, the mechanical aspects of athletics, Laplace's tidal equations, cochlear mechanics, dynamic constitutive equations, optical techniques for the determination of displacement and strain fields, chemical and biochemical problems involving nonlinear diffusion processes, thermal stresses, the rotating rod viscometer, finite-element methods in plasticity, ships of minimum resistance, and wide-band random vibration of structures. Individual items are announced in this issue.

Source record↗

Literature review of some selected types of results and statistical analyses of total-ozone data

The depletion of ozone in the stratosphere is examined, and causes for the depletion are cited. Ground station and satellite measurements of ozone, which are taken on a worldwide basis, are discussed. Instruments used in ozone measurement are discussed, such as the Dobson spectrophotometer, which is credited with providing the longest and most extensive series of observations for ground based observation of stratospheric ozone. Other ground based instruments used to measure ozone are also discussed. The statistical differences of ground based measurements of ozone from these different instruments are compared to each other, and to satellite measurements. Mathematical methods (i.e., trend analysis or linear regression analysis) of analyzing the variability of ozone concentration with respect to time and lattitude are described. Various time series models which can be employed in accounting for ozone concentration variability are examined.

Myers, R. H.↗

Nonclassical acoustics

A statistical approach to sound propagation is considered in situations where, due to the presence of large gradients of properties of the medium, the classical (deterministic) treatment of wave motion is inadequate. Mathematical methods for wave motions not restricted to small wavelengths (analogous to known methods of quantum mechanics) are used to formulate a wave theory of sound in nonuniform flows. Nonlinear transport equations for field probabilities are derived for the limiting case of noninteracting sound waves and it is postulated that such transport equations, appropriately generalized, may be used to predict the statistical behavior of sound in arbitrary flows.

Kentzer, C. P.↗

Representation of magnetic fields in space

Several mathematical methods which are available for the description of magnetic fields in space are reviewed. Examples of the application of such methods are given, with particular emphasis on work related to the geomagnetic field, and their individual properties and associated problems are described. The methods are grouped in five main classes: (1) methods based on the current density, (2) methods using the scalar magnetic potential, (3) toroidal and poloidal components of the field and spherical vector harmonics, (4) Euler potentials, and (5) local expansions of the field near a given reference point. Special attention is devoted to models of the magnetosphere, to the uniqueness of the scalar potential as derived from observed data, and to the L parameter.

Stern, D. P.↗

A statistical formulation of one-dimensional electron fluid turbulence

A one-dimensional electron fluid model is investigated using the mathematical methods of modern fluid turbulence theory. Non-dissipative equilibrium canonical distributions are determined in a phase space whose co-ordinates are the real and imaginary parts of the Fourier coefficients for the field variables. Spectral densities are calculated, yielding a wavenumber electric field energy spectrum proportional to k to the negative second power for large wavenumbers. The equations of motion are numerically integrated and the resulting spectra are found to compare well with the theoretical predictions.

Fyfe, D.↗

An Analytical Satellite Orbit Predictor (ASOP)

The documentation and user's guide for the Analytical Satellite Orbit Predictor (ASOP) computer program is presented. The ASOP is based on mathematical methods that represent a new state-of-the-art for rapid orbit computation techniques. It is intended to be used for computation of near-earth orbits including those of the shuttle/orbiter and its payloads.

Starke, S. E.↗