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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 613 records · Page 34
All sourcesNASA NTRSDOE OSTI
NASA NTRS2012

Algorithm for Compressing Time-Series Data

An algorithm based on Chebyshev polynomials effects lossy compression of time-series data or other one-dimensional data streams (e.g., spectral data) that are arranged in blocks for sequential transmission. The algorithm was developed for use in transmitting data from spacecraft scientific instruments to Earth stations. In spite of its lossy nature, the algorithm preserves the information needed for scientific analysis. The algorithm is computationally simple, yet compresses data streams by factors much greater than two. The algorithm is not restricted to spacecraft or scientific uses: it is applicable to time-series data in general. The algorithm can also be applied to general multidimensional data that have been converted to time-series data, a typical example being image data acquired by raster scanning. However, unlike most prior image-data-compression algorithms, this algorithm neither depends on nor exploits the two-dimensional spatial correlations that are generally present in images. In order to understand the essence of this compression algorithm, it is necessary to understand that the net effect of this algorithm and the associated decompression algorithm is to approximate the original stream of data as a sequence of finite series of Chebyshev polynomials. For the purpose of this algorithm, a block of data or interval of time for which a Chebyshev polynomial series is fitted to the original data is denoted a fitting interval. Chebyshev approximation has two properties that make it particularly effective for compressing serial data streams with minimal loss of scientific information: The errors associated with a Chebyshev approximation are nearly uniformly distributed over the fitting interval (this is known in the art as the "equal error property"); and the maximum deviations of the fitted Chebyshev polynomial from the original data have the smallest possible values (this is known in the art as the "min-max property").

Hawkins, S. Edward, III↗
NASA NTRS2019

Principal Component Analysis of Up-The-Ramp Sampled Infrared Array Data

We describe the results of principal component analysis (PCA) of up-the-ramp sampled infrared (IR) array data from the Hubble Space Telescope wide field camera 3 (WFC3 IR), James Webb Space Telescope NIRSpec, and prototype Wide Field Infrared Survey Telescope’s wide field instrument detectors. These systems use, respectively, Teledyne H1R, H2RG, and H4RG-10 near-IR detector arrays with a variety of IR array controllers. The PCA shows that the Legendre polynomials approximate the principal components of these systems (i.e., they roughly diagonalize the covariance matrix). In contrast to the monomial basis that is widely used for polynomial fitting and linearization today, the Legendre polynomials are an orthonormal basis. They provide a quantifiable, compact, and (nearly) linearly uncorrelated representation of the information content of the data. By fitting a few Legendre polynomials, nearly all of the meaningful information in representative WFC3 astronomical datacubes can be condensed from 15 up-the-ramp samples down to 6 compressible Legendre coefficients per pixel. The higher order coefficients contain time domain information that is lost when one projects up-the-ramp sampled datacubes onto two-dimensional images by fitting a straight line, even if the data are linearized before fitting the line. Going forward, we believe that this time domain information is potentially important for disentangling the various nonlinearities that can affect IR array observations, i.e., inherent pixel nonlinearity, persistence, burn in, brighter-fatter effect, (potentially) nonlinear interpixel capacitance, and perhaps others.

Rauscher, Bernard J.↗
DOE OSTI2013

Verifying the error bound of numerical computation implemented in computer systems

A verification tool receives a finite precision definition for an approximation of an infinite precision numerical function implemented in a processor in the form of a polynomial of bounded functions. The verification tool receives a domain for verifying outputs of segments associated with the infinite precision numerical function. The verification tool splits the domain into at least two segments, wherein each segment is non-overlapping with any other segment and converts, for each segment, a polynomial of bounded functions for the segment to a simplified formula comprising a polynomial, an inequality, and a constant for a selected segment. The verification tool calculates upper bounds of the polynomial for the at least two segments, beginning with the selected segment and reports the segments that violate a bounding condition.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

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↗
DOE OSTI2024

Efficient Unitary Designs from Random Sums and Permutations

A unitary k-design is an ensemble of unitaries that matches the first k moments of the Haar measure. In this work, we provide two efficient constructions of k-designs on n-qubits using new random matrix theory techniques. Our first construction is based on exponentiating sums of random i.i.d. Hermitian matrices and uses O(k2n2)-many gates. In the spirit of central limit theorems, we show that this random sum approximates the Gaussian Unitary Ensemble (GUE). We then show that the product of just two exponentiated GUE matrices is already approximately Haar random. Our second construction is based on products of exponentiated sums of random permutations and uses Õ(k poly (n)) many gates. The k dependence is optimal (up to polylogarithmic factors) and is inherited from the efficiency of existing k-wise independent permutations. Furthermore, replacing random permutations with quantum-secure pseudorandom permutations (PRPs), we also obtain a pseudorandom unitary (PRU) ensemble that is secure under nonadaptive queries. A central feature of both proofs is a new connection between the polynomial method in quantum query complexity and the large-dimension (N) expansion in random matrix theory. In particular, the first construction uses the polynomial method to control high moments of certain random matrix ensembles without requiring delicate Weingarten calculations. In doing so, we define and solve a moment problem on the unit circle, asking whether a finite number of equally weighted points can reproduce a given set of moments. In our second construction, the key step is to exhibit an orthonormal basis for irreducible representations of the partition algebra that has a low-degree large-N expansion. This allows us to show that the distinguishing probability is a low-degree rational polynomial of the dimension N.

algebra↗
DOE OSTI2018

The CMV Matrix and the Generalized Lanczos Process

The CMV matrix is the five-diagonal matrix that represents the operator of multiplication by the independent variable in a special basis formed of Laurent polynomials orthogonal on the unit circle C. The article by Cantero, Moral, and Velázquez, published in 2003 and describing this matrix, has attracted much attention because it implies that the conventional orthogonal polynomials on C can be interpreted as the characteristic polynomials of the leading principal submatrices of a certain five-diagonal matrix. The present paper recalls that finite-dimensional sections of the CMV matrix appeared in papers on the unitary eigenvalue problem long before the article by Cantero et al. was published. Moreover, band forms were also found for a number of other situations in the normal eigenvalue problem.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

Two-Sided Semi-Local Smoothing Splines

A semi-local smoothing spline of degree n and class C{sup p} is a function defined on an interval, having p continuous derivatives on that interval, and coinciding with a polynomial of degree n on the subintervals forming its partition. The domain of each polynomial is a subinterval on which m + 1 values of the approximated function are given, but in order to construct the polynomial, it is necessary to know M ≥ m + 1 values (m and M are determined by the class and the degree of the spline). The additional values can be borrowed from the adjacent subintervals. When constructing an S-spline in the periodic case, the problem of additional values is solved on the basis of periodicity, but in the nonperiodic case, one is expected to define the lacking values of a function beyond the domain. The present paper is aimed at nonperiodic two-sided S-splines whose construction does not require additional data.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2013

Algebraic special functions and SO(3,2)

A ladder structure of operators is presented for the associated Legendre polynomials and the sphericas harmonics. In both cases these operators belong to the irreducible representation of the Lie algebra so(3,2) with quadratic Casimir equals to −5/4. As both are also bases of square-integrable functions, the universal enveloping algebra of so(3,2) is thus shown to be homomorphic to the space of linear operators acting on the L{sup 2} functions defined on (−1,1)×Z and on the sphere S{sup 2}, respectively. The presence of a ladder structure is suggested to be the general condition to obtain a Lie algebra representation defining in this way the “algebraic special functions” that are proposed to be the connection between Lie algebras and square-integrable functions so that the space of linear operators on the L{sup 2} functions is homomorphic to the universal enveloping algebra. The passage to the group, by means of the exponential map, shows that the associated Legendre polynomials and the spherical harmonics support the corresponding unitary irreducible representation of the group SO(3,2). -- Highlights: •The algebraic ladder structure is constructed for the associated Legendre polynomials (ALP). •ALP and spherical harmonics support a unitary irreducible SO(3,2)-representation. •A ladder structure is the condition to get a Lie group representation defining “algebraic special functions”. •The “algebraic special functions” connect Lie algebras and L{sup 2} functions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Few-electron atomic ions in non-relativistic QED: The ground state

Following detailed analysis of relativistic, QED and mass corrections for helium-like and lithium-like ions with static nuclei for Z≤20 the domain of applicability of Non-Relativistic QED (NRQED) is localized for ground state energy. It is demonstrated that for both helium-like and lithium-like ions with Z≤20 the finite nuclear mass effects do not change 4–5 significant digits (s.d.), and the leading relativistic and QED effects leave unchanged 3–4 s.d. in the ground state energy. It is shown that the non-relativistic ground state energy can be interpolated with accuracy not less than 13 s.d. for Z≤12, and not less than 12 s.d. for Z≤50 for helium-like as well as for Z≤20 for lithium-like ions by a compact meromorphic function in variable λ=√(Z−Z{sub B}) (here Z{sub B} is the 2nd critical charge (Turbiner et al., 2016)), P{sub 9}(λ)∕Q{sub 5}(λ). It is found that both the Majorana formula – a second degree polynomial in Z with two free parameters – and a fourth degree polynomial in λ (a generalization of the Majorana formula) reproduce the ground state energy of the helium-like and lithium-like ions for Z≤20 in the domain of applicability of NRQED, thus, at least, 3 s.d. It is noted that ≳99.9% of the ground state energy is given by the variational energy for properly optimized trial function of the form of (anti)-symmetrized product of three (six) screened Coulomb orbitals for two-(three) electron system with 3 (7) free parameters for Z≤20, respectively. It may imply that these trial functions are, in fact, exact wavefunctions in non-relativistic QED, thus, the NRQED effective potential can be derived. It is shown that the sum of relativistic and QED effects in leading approximation - 3 s.d. - for both 2 and 3 electron systems is interpolated by 4th degree polynomial in Z for Z≤20.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

A sparse matrix–vector multiplication based algorithm for accurate density matrix computations on systems of millions of atoms

Here we present an efficient sparse matrix–vector (SpMV) based method to compute the density matrix P from a given Hamiltonian in electronic structure computations. Our method is a hybrid approach based on Chebyshev–Jackson approximation theory and matrix purification methods like the second order spectral projection purification (SP2). Recent methods to compute the density matrix scale as O(N) in the number of floating point operations but are accompanied by large memory and communication overhead, and they are based on iterative use of the sparse matrix–matrix multiplication kernel (SpGEMM), which is known to be computationally irregular. In addition to irregularity in the sparse Hamiltonian H, the nonzero structure of intermediate estimates of P depends on products of H and evolves over the course of computation. On the other hand, an expansion of the density matrix P in terms of Chebyshev polynomials is straightforward and SpMV based; however, the resulting density matrix may not satisfy the required constraints exactly. In this paper, we analyze the strengths and weaknesses of the Chebyshev–Jackson polynomials and the second order spectral projection purification (SP2) method, and propose to combine them so that the accurate density matrix can be computed using the SpMV computational kernel only, and without having to store the density matrix P. Our method accomplishes these objectives by using the Chebyshev polynomial estimate as the initial guess for SP2, which is followed by using sparse matrix–vector multiplications (SpMVs) to replicate the behavior of the SP2 algorithm for purification. We demonstrate the method on a tight-binding model system of an oxide material containing more than 3 million atoms. In addition, we also present the predicted behavior of our method when applied to near-metallic Hamiltonians with a wide energy spectrum.

42 ENGINEERING↗
DOE OSTI2022

Branches, quivers, and ideals for knot complements

We generalize the F K invariant, i.e. Z^ for the complement of a knot K in the 3-sphere, the knots-quivers correspondence, and A-polynomials of knots, and find several interconnections between them. We associate an F K invariant to any branch of the A-polynomial of K and we work out explicit expressions for several simple knots. We show that these F K invariants can be written in the form of a quiver generating series, in analogy with the knots-quivers correspondence. We discuss various methods to obtain such quiver representations, among others using R-matrices. We generalize the quantum a-deformed A-polynomial to an ideal that contains the recursion relation in the group rank, i.e. in the parameter a, and describe its classical limit in terms of the Coulomb branch of a 3d-5d theory. We also provide t-deformed versions. Furthermore, we study how the quiver formulation for closed 3-manifolds obtained by surgery leads to the superpotential of 3d N = 2 theory T[M 3 ] and to the data of the associated modular tensor category MTC[M 3 ].

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2015

Efficient traveltime solutions of the acoustic TI eikonal equation

Numerical solutions of the eikonal (Hamilton–Jacobi) equation for transversely isotropic (TI) media are essential for imaging and traveltime tomography applications. Such solutions, however, suffer from the inherent higher-order nonlinearity of the TI eikonal equation, which requires solving a quartic polynomial for every grid point. Analytical solutions of the quartic polynomial yield numerically unstable formulations. Thus, it requires a numerical root finding algorithm, adding significantly to the computational load. Using perturbation theory we approximate, in a first order discretized form, the TI eikonal equation with a series of simpler equations for the coefficients of a polynomial expansion of the eikonal solution, in terms of the anellipticity anisotropy parameter. Such perturbation, applied to the discretized form of the eikonal equation, does not impose any restrictions on the complexity of the perturbed parameter field. Therefore, it provides accurate traveltime solutions even for models with complex distribution of velocity and anisotropic anellipticity parameter, such as that for the complicated Marmousi model. The formulation allows for large cost reduction compared to using the direct TI eikonal solver. Furthermore, comparative tests with previously developed approximations illustrate remarkable gain in accuracy in the proposed algorithm, without any addition to the computational cost.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Neural chaos: A spectral stochastic neural operator

Building surrogate models for operators with uncertainty quantification capabilities is essential for many engineering applications where randomness–such as variability in material properties, boundary conditions, and initial conditions–is unavoidable. Polynomial Chaos Expansion (PCE) is widely recognized as a go-to method for constructing stochastic surrogates in both intrusive and non-intrusive ways, and it has recently been used in the context of operator learning. However, its application becomes challenging for complex or high-dimensional processes, as achieving accuracy requires higher-order polynomials, which can increase computational demand and/or the risk of overfitting. Furthermore, PCE requires specialized treatments to manage random variables that are not independent, and these treatments may be problem-dependent or may fail with increasing complexity. Here, in this work, we adopt the same formalism as the spectral expansion used in PCE; however, we replace the classical polynomial basis functions with neural network (NN) basis functions to leverage their expressivity. To achieve this, we propose an algorithm that identifies NN-parameterized basis functions in a purely data-driven manner, without any prior assumptions about the joint distribution of the random variables involved, whether independent or dependent, or about their marginal distributions. The proposed algorithm identifies each NN-parameterized basis function sequentially, ensuring they are orthogonal with respect to the data distribution. The basis functions are constructed directly on the joint stochastic variables without requiring a tensor product structure or assuming independence of the random variables. This approach may offer greater flexibility for complex stochastic models, while simplifying implementation compared to the tensor product structures typically used in PCE to handle random vectors. This is particularly advantageous given the current state of open-source packages, where building and training neural networks can be done with just a few lines of code and extensive community support. We demonstrate the effectiveness of the proposed scheme through several numerical examples of varying complexity and provide comparisons with classical PCE.

Polynomial chaos expansion↗
DOE OSTI2013

Deformations of polyhedra and polygons by the unitary group

We introduce the set of framed (convex) polyhedra with N faces as the symplectic quotient C{sup 2N}//SU(2). A framed polyhedron is then parametrized by N spinors living in C{sup 2} satisfying suitable closure constraints and defines a usual convex polyhedron plus extra U(1) phases attached to each face. We show that there is a natural action of the unitary group U(N) on this phase space, which changes the shape of faces and allows to map any (framed) polyhedron onto any other with the same total (boundary) area. This identifies the space of framed polyhedra to the Grassmannian space U(N)/ (SU(2)×U(N−2)). We show how to write averages of geometrical observables (polynomials in the faces' area and the angles between them) over the ensemble of polyhedra (distributed uniformly with respect to the Haar measure on U(N)) as polynomial integrals over the unitary group and we provide a few methods to compute these integrals systematically. We also use the Itzykson-Zuber formula from matrix models as the generating function for these averages and correlations. In the quantum case, a canonical quantization of the framed polyhedron phase space leads to the Hilbert space of SU(2) intertwiners (or, in other words, SU(2)-invariant states in tensor products of irreducible representations). The total boundary area as well as the individual face areas are quantized as half-integers (spins), and the Hilbert spaces for fixed total area form irreducible representations of U(N). We define semi-classical coherent intertwiner states peaked on classical framed polyhedra and transforming consistently under U(N) transformations. And we show how the U(N) character formula for unitary transformations is to be considered as an extension of the Itzykson-Zuber to the quantum level and generates the traces of all polynomial observables over the Hilbert space of intertwiners. We finally apply the same formalism to two dimensions and show that classical (convex) polygons can be described in a similar fashion trading the unitary group for the orthogonal group. We conclude with a discussion of the possible (deformation) dynamics that one can define on the space of polygons or polyhedra. This work is a priori useful in the context of discrete geometry but it should hopefully also be relevant to (loop) quantum gravity in 2+1 and 3+1 dimensions when the quantum geometry is defined in terms of gluing of (quantized) polygons and polyhedra.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2014

On linear groups of degree 2 over a finite commutative ring

Let p > 3 be a prime number and F{sub p} be a field of p elements. Let K be a commutative and associative ring obtained by adjoining to F{sub p} an element α such that α satisfies a polynomial over F{sub p} and a polynomial of the least degree whose root is α can be written as a product of distinct polynomials irreducible over F{sub p}. We prove that the special linear group SL{sub 2}(K) is generated by two elementary transvections ( (table) ), ( (table) )

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Deformed oscillator algebra approach of some quantum superintegrable Lissajous systems on the sphere and of their rational extensions

We extend the construction of 2D superintegrable Hamiltonians with separation of variables in spherical coordinates using combinations of shift, ladder, and supercharge operators to models involving rational extensions of the two-parameter Lissajous systems on the sphere. These new families of superintegrable systems with integrals of arbitrary order are connected with Jacobi exceptional orthogonal polynomials of type I (or II) and supersymmetric quantum mechanics. Moreover, we present an algebraic derivation of the degenerate energy spectrum for the one- and two-parameter Lissajous systems and the rationally extended models. These results are based on finitely generated polynomial algebras, Casimir operators, realizations as deformed oscillator algebras, and finite-dimensional unitary representations. Such results have only been established so far for 2D superintegrable systems separable in Cartesian coordinates, which are related to a class of polynomial algebras that display a simpler structure. We also point out how the structure function of these deformed oscillator algebras is directly related with the generalized Heisenberg algebras spanned by the nonpolynomial integrals.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

A general one-dimension nonlinear magneto-elastic coupled constitutive model for magnetostrictive materials

For magnetostrictive rods under combined axial pre-stress and magnetic field, a general one-dimension nonlinear magneto-elastic coupled constitutive model was built in this paper. First, the elastic Gibbs free energy was expanded into polynomial, and the relationship between stress and strain and the relationship between magnetization and magnetic field with the polynomial form were obtained with the help of thermodynamic relations. Then according to microscopic magneto-elastic coupling mechanism and some physical facts of magnetostrictive materials, a nonlinear magneto-elastic constitutive with concise form was obtained when the relations of nonlinear strain and magnetization in the polynomial constitutive were instead with transcendental functions. The comparisons between the prediction and the experimental data of different magnetostrictive materials, such as Terfenol-D, Metglas and Ni showed that the predicted magnetostrictive strain and magnetization curves were consistent with experimental results under different pre-stresses whether in the region of low and moderate field or high field. Moreover, the model can fully reflect the nonlinear magneto-mechanical coupling characteristics between magnetic, magnetostriction and elasticity, and it can effectively predict the changes of material parameters with pre-stress and bias field, which is useful in practical applications.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Algebraic solutions of shape-invariant position-dependent effective mass systems

Keeping in view the ordering ambiguity that arises due to the presence of position-dependent effective mass in the kinetic energy term of the Hamiltonian, a general scheme for obtaining algebraic solutions of quantum mechanical systems with position-dependent effective mass is discussed. We quantize the Hamiltonian of the pertaining system by using symmetric ordering of the operators concerning momentum and the spatially varying mass, initially proposed by von Roos and Lévy-Leblond. The algebraic method, used to obtain the solutions, is based on the concepts of supersymmetric quantum mechanics and shape invariance. In order to exemplify the general formalism a class of non-linear oscillators has been considered. This class includes the particular example of a one-dimensional oscillator with different position-dependent effective mass profiles. Explicit expressions for the eigenenergies and eigenfunctions in terms of generalized Hermite polynomials are presented. Moreover, properties of these modified Hermite polynomials, like existence of generating function and recurrence relations among the polynomials have also been studied. Furthermore, it has been shown that in the harmonic limit, all the results for the linear harmonic oscillator are recovered.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗