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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 307 records · Page 17

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↗

QSpace - An open-source tensor library for Abelian and non-Abelian symmetries

This is the documentation for the tensor library QSpace (v4.0), a toolbox to exploit ‘quan tum symmetry spaces’ in tensor network states in the quantum many-body context. QSpace permits arbitrary combinations of symmetries including the abelian symmetries $\mathbb{Z}_n$ and U(1), as well as all non-abelian symmetries based on the semisimple classical Lie algebras: A n , B n , C n , and D n , or respectively, the special unitary group SU(n), the odd orthogonal group SO(2n+1), the symplectic group Sp(2n), and the even orthogonal group SO(2n). The code (C++ embedded via the MEX interface into Matlab) is available open source as of QSpace v4.0 on bitbucket under the Apache 2.0 license. QSpace is designed as a bottom-up approach for non-abelian symmetries. It starts from the defining representation and the respective Lie algebra. By explicitly comput ing and tabulating generalized Clebsch-Gordan coefficient tensors, QSpace is versatile in the type of operations that it can perform across all symmetries. At the level of an ap plication, much of the symmetry-related details are hidden within the QSpace C++ core libraries. Hence when developing tensor network algorithms with QSpace, these can be coded (nearly) as if there are no symmetries at all, despite being able to fully exploit general non-abelian symmetries.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Tensor Analysis Methods for Activity Characterization in Spatiotemporal Data

Tensor (multiway array) factorization and decomposition offers unique advantages for activity characterization in spatio-temporal datasets because these methods are compatible with sparse matrices and maintain multiway structure that is otherwise lost in collapsing for regular matrix factorization. This report describes our research as part of the PANTHER LDRD Grand Challenge to develop a foundational basis of mathematical techniques and visualizations that enable unsophisticated users (e.g. users who are not steeped in the mathematical details of matrix algebra and mulitway computations) to discover hidden patterns in large spatiotemporal data sets.

97 MATHEMATICS AND COMPUTING↗

Advanced control concepts

The selection of a trim solution that provides the space shuttle with the highest level of performance and dynamic control in the presense of wind disturbances and bias torques due to misalignment of rocket engines is described. It was determined that engine gimballing is insufficient to provide control to trim the vehicle for headwind and sidewind disturbances, and that it is necessary to use aerodynamic surfaces in conjunction with engine gimballing to achieve trim. The algebraic equations for computing the trim solution were derived from the differential equations describing the motion of the vehicle by substituting the desired trim conditions. The general problem of showing how the trim equations are derived from the equations of motion and the mathematical forms of the performance criterion is discussed in detail, along with the general equations for studying the dynamic response of the trim solution.

Hutton, M. F.↗

Space Mathematics: A Resource for Secondary School Teachers

A collection of mathematical problems related to NASA space science projects is presented. In developing the examples and problems, attention was given to preserving the authenticity and significance of the original setting while keeping the level of mathematics within the secondary school curriculum. Computation and measurement, algebra, geometry, probability and statistics, exponential and logarithmic functions, trigonometry, matrix algebra, conic sections, and calculus are among the areas addressed.

Kastner, Bernice↗

K-epsilon turbulence model assessment with reduced numerical diffusion for coaxial jets

A numerical study has been conducted to evaluate the performance of the k-epsilon turbulence model for axisymmetric, unconfined, swirling, and nonswirling coaxial jet flows. Two lower order schemes, hybrid and power-law, and two higher order schemes, flux-spline and bounded skew upwind differencing, were employed in this investigation. The predicted results indicate that the higher order numerical schemes have greater potential for future model improvements and complex flow calculations in terms of storage, accuracy, and execution time. For the nonswirling flow, computations using an algebraic stress model have also been presented.

Nikjooy, M.↗

Robustness issues in boundary feedback of flexible structures

Transfer function models for basic structural elements with boundary control reveal certain inherent properties relevant to questions of control system realization, design, and analysis of robustness. The transfer functions involved are not strictly proper, may be nonminimum phase (except for the special case of colocated actuation and sensing), and often have large number of poles on the imaginary axis. In this paper these basic questions are considered in terms of modeling and control system design for robustness. The application of algebraic methods for computing stabilizing control, based on certain exact, irrational transfer functions is investigated. Boundary control of the wave equation is considered and extension of the method to more general problems is suggested. Special attention is given to implementation issues associated with a class of infinite dimensional control laws.

Bennett, W. H.↗

Analysis and experimental evaluation of a Stewart platform-based force/torque sensor

The kinematic analysis and experimentation of a force/torque sensor whose design is based on the mechanism of the Stewart Platform are discussed. Besides being used for measurement of forces/torques, the sensor also serves as a compliant platform which provides passive compliance during a robotic assembly task. It consists of two platforms, the upper compliant platform (UCP) and the lower compliant platform (LCP), coupled together through six spring-loaded pistons whose length variations are measured by six linear voltage differential transformers (LVDT) mounted along the pistons. Solutions to the forward and inverse kinematics of the force sensor are derived. Based on the known spring constant and the piston length changes, forces/torques applied to the LCP gripper are computed using vector algebra. Results of experiments conducted to evaluate the sensing capability of the force sensor are reported and discussed.

Nguyen, Charles C.↗

Flight control application of new stability robustness bounds for linear uncertain systems

This paper addresses the issue of obtaining bounds on the real parameter perturbations of a linear state-space model for robust stability. Based on Kronecker algebra, new, easily computable sufficient bounds are derived that are much less conservative than the existing bounds since the technique is meant for only real parameter perturbations (in contrast to specializing complex variation case to real parameter case). The proposed theory is illustrated with application to several flight control examples.

Yedavalli, Rama K.↗

Effects of spatial order of accuracy on the computation of vortical flowfields

The objective of the present investigation is to assess the effect of the spatial order of accuracy used for the evaluation of the inviscid fluxes on the resolution of higher order quantitites, such as velocity gradients. The viscous terms are computed as second-order accurate with central difference formulas, even though for the explicit part of the algorithm higher order approximations may be used. A viscous/inviscid method is used, and the outer part of the flowfield is computed with the inviscid flow equations. The viscous boundary-layer type flow region close to the body surface is computed with an algebraic eddy viscosity model. Results obtained with the conservative and nonconservative formulations and the viscous/inviscid approach are compared with available experimental data. The effect of grid refinement on the accuracy of the solution is also presented.

Ekaterinaris, J. A.↗

PyAMG: Algebraic Multigrid Solvers in Python

PyAMG is a Python package of algebraic multigrid (AMG) solvers and supporting tools for approximating the solution to large, sparse linear systems of algebraic equations, Ax = b, where A is an n × n sparse matrix. Sparse linear systems arise in a range of problems in science, from fluid flows to solid mechanics to data analysis. While the direct solvers available in SciPy’s sparse linear algebra package (scipy.sparse.linalg) are highly efficient, in many cases iterative methods are preferred due to overall complexity. However, the iterative methods in SciPy, such as CG and GMRES, often require an efficient preconditioner in order to achieve a lower complexity. Preconditioning is a powerful tool whereby the conditioning of the linear system and convergence rate of the iterative method are both dramatically improved. PyAMG constructs multigrid solvers for use as a preconditioner in this setting. A summary of multigrid and algebraic multigrid solvers can be found in Olson (2015a), in Olson (2015b), and in Falgout (2006); a detailed description can be found in Briggs et al. (2000) and Trottenberg et al. (2001).

97 MATHEMATICS AND COMPUTING↗

Fast and accurate normalization of vectors and quaternions

We present fast and accurate ways to normalize two and three-dimensional vectors and quaternions and compute their length. Our approach is an adaptation of ideas used in the linear algebra library LAPACK, and we believe that the computational geometry and computer-aided design communities are not aware of the possibility of speeding up these fundamental operations in the robust way proposed here.

97 MATHEMATICS AND COMPUTING↗

Computation of turbulent boundary layer flows with an algebraic stress turbulence model

An algebraic stress turbulence model is presented, characterized by the following: (1) the eddy viscosity expression is derived from the Reynolds stress turbulence model; (2) the turbulent kinetic energy dissipation rate equation is improved by including a production range time scale; and (3) the diffusion coefficients for turbulence equations are adjusted so that the kinetic energy profile extends further into the free stream region found in most experimental data. The turbulent flow equations were solved using a finite element method. Examples include: fully developed channel flow, fully developed pipe flow, flat plate boundary layer flow, plane jet exhausting into a moving stream, circular jet exhausting into a moving stream, and wall jet flow. Computational results compare favorably with experimental data for most of the examples considered. Significantly improved results were obtained for the plane jet flow, the circular jet flow, and the wall jet flow; whereas the remainder are comparable to those obtained by finite difference methods using the standard kappa-epsilon turbulence model. The latter seems to be promising with further improvement of the expression for the eddy viscosity coefficient.

Kim, Sang-Wook↗

Numerical methods in Markov chain modeling

Several methods for computing stationary probability distributions of Markov chains are described and compared. The main linear algebra problem consists of computing an eigenvector of a sparse, usually nonsymmetric, matrix associated with a known eigenvalue. It can also be cast as a problem of solving a homogeneous singular linear system. Several methods based on combinations of Krylov subspace techniques are presented. The performance of these methods on some realistic problems are compared.

Philippe, Bernard↗

TAMM: Tensor algebra for many-body methods

Tensor algebra operations such as contractions in computational chemistry consume a significant fraction of the computing time on large-scale computing platforms. The widespread use of tensor contractions between large multi-dimensional tensors in describing electronic structure theory has motivated the development of multiple tensor algebra frameworks targeting heterogeneous computing platforms. In this paper, we present Tensor Algebra for Many-body Methods (TAMM), a framework for productive and performance-portable development of scalable computational chemistry methods. TAMM decouples the specification of the computation from the execution of these operations on available high-performance computing systems. With this design choice, the scientific application developers (domain scientists) can focus on the algorithmic requirements using the tensor algebra interface provided by TAMM, whereas high-performance computing developers can direct their attention to various optimizations on the underlying constructs, such as efficient data distribution, optimized scheduling algorithms, and efficient use of intra-node resources (e.g., graphics processing units). The modular structure of TAMM allows it to support different hardware architectures and incorporate new algorithmic advances. We describe the TAMM framework and our approach to the sustainable development of scalable ground- and excited-state electronic structure methods. We present case studies highlighting the ease of use, including the performance and productivity gains compared to other frameworks.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Preparing an Incompressible-Flow Fluid Dynamics Code for Exascale-Class Wind Energy Simulations: Preprint

The US Department of Energy has identified Exascale-Class wind farm simulation tools as critical to wind energy scientific discovery. A primary objective of the Exawind project is to build high-performance, predictive Computational Fluid Dynamics tools that satisfy these modeling needs. GPU accelerators will serve as the computational thoroughbreds of next generation, Exascale-Class, platforms. Here, we report on our efforts for preparing the Exawind unstructured mesh solver, Nalu-Wind, for Exascale-Class machines. For computing at this scale, a simple port of the incompressible-flow algorithms to GPUs is not sufficient. One needs novel algorithms that are application aware, memory efficient, and optimized for latest generation GPU devices to get high-performance. The result of our efforts are unstructured mesh simulations of wind turbines that use 1/6 the compute resources of Summit supercomputer at Oak Ridge National Lab. In particular, we demonstrate a first-of-its-kind, simulation using Algebraic Multigrid solvers on over 4000 GPUs.

algebraic multigrid↗