Search results for "Linear Algebra."
showing 10 items of 552 documents
Thresholding projection estimators in functional linear models
2008
We consider the problem of estimating the regression function in functional linear regression models by proposing a new type of projection estimators which combine dimension reduction and thresholding. The introduction of a threshold rule allows to get consistency under broad assumptions as well as minimax rates of convergence under additional regularity hypotheses. We also consider the particular case of Sobolev spaces generated by the trigonometric basis which permits to get easily mean squared error of prediction as well as estimators of the derivatives of the regression function. We prove these estimators are minimax and rates of convergence are given for some particular cases.
Random Walk in a N-cube Without Hamiltonian Cycle to Chaotic Pseudorandom Number Generation: Theoretical and Practical Considerations
2017
Designing a pseudorandom number generator (PRNG) is a difficult and complex task. Many recent works have considered chaotic functions as the basis of built PRNGs: the quality of the output would indeed be an obvious consequence of some chaos properties. However, there is no direct reasoning that goes from chaotic functions to uniform distribution of the output. Moreover, embedding such kind of functions into a PRNG does not necessarily allow to get a chaotic output, which could be required for simulating some chaotic behaviors. In a previous work, some of the authors have proposed the idea of walking into a $\mathsf{N}$-cube where a balanced Hamiltonian cycle has been removed as the basis o…
Determinantal sets, singularities and application to optimal control in medical imagery
2016
International audience; Control theory has recently been involved in the field of nuclear magnetic resonance imagery. The goal is to control the magnetic field optimally in order to improve the contrast between two biological matters on the pictures. Geometric optimal control leads us here to analyze mero-morphic vector fields depending upon physical parameters , and having their singularities defined by a deter-minantal variety. The involved matrix has polynomial entries with respect to both the state variables and the parameters. Taking into account the physical constraints of the problem, one needs to classify, with respect to the parameters, the number of real singularities lying in som…
A Unified SVM Framework for Signal Estimation
2013
This paper presents a unified framework to tackle estimation problems in Digital Signal Processing (DSP) using Support Vector Machines (SVMs). The use of SVMs in estimation problems has been traditionally limited to its mere use as a black-box model. Noting such limitations in the literature, we take advantage of several properties of Mercer's kernels and functional analysis to develop a family of SVM methods for estimation in DSP. Three types of signal model equations are analyzed. First, when a specific time-signal structure is assumed to model the underlying system that generated the data, the linear signal model (so called Primal Signal Model formulation) is first stated and analyzed. T…
A minimal tight-binding model for the quasi-one-dimensional superconductor K2Cr3As3
2019
We present a systematic derivation of a minimal five-band tight-binding model for the description of the electronic structure of the recently discovered quasi one-dimensional superconductor K2Cr3As3. Taking as a reference the density-functional theory (DFT) calculation, we use the outcome of a Lowdin procedure to refine a Wannier projection and fully exploit the predominant weight at the Fermi level of the states having the same symmetry of the crystal structure. Such states are described in terms of five atomic-like d orbitals: four planar orbitals, two dxy and two dx2-y2, and a single out-of-plane one, dz2 . We show that this minimal model reproduces with great accuracy the DFT band struc…
A theoretical study of the collinear reaction F+H2→HF+H using multiconfigurational second-order perturbation theory (CASPT2)
1993
Abstract The second-order perturbation method (CASPT2) with a single state multiconfigurational reference function generated in complete active self-consistent field (CASSCF) calculations has been used to compute the collinear barrier height, saddle point geometry, and exothermicity of the reaction F+H 2 →HF+H. Comparison with full configuration (FCI) calculations with small basis sets shows that the CASPT2 method is capable of reproducing accurately the exact benchmark results correlating seven electrons. Large atomic natural orbital basis sets are used at the seven- and nine-electron level of correlation. With the largest ANO basis set used, F[7s6p5d4f2g]/H[6s5p4d2f], the computed nine-el…
Analysis of the Electronic Structure of Non-Spherical Ligand-Protected Metal Nanoclusters: The Case of a Box-Like Ag67
2016
In this work we introduce a new strategy to investigate the electronic shell structure of ligand-protected metal nanoclusters of polyhedral core shape. The central idea is to identify the symmetry of the Kohn–Sham molecular orbitals of an atomistic structure based on their projection onto the electronic states of a jellium system with a similar shape of the background charge density. Herein, we study the connection between a reduced atomistic model of the recently reported box-like [Ag67(SR)32(PR3)8]3+ nanocluster and a jellium box consisting of 32 free electrons. With this approach, we determine the symmetry of electronic states of the metal core and identify those that are involved in the…
From small to medium and beyond: a pragmatic approach in predicting properties of Ne containing structures
2013
In this study, we outlined a pragmatic approach for structural studies leading to better understanding of polycarbon structures using 21Ne as a nuclear magnetic resonance (NMR) probe. 21Ne NMR parameters of a single neon atom and its dimer were predicted at the CCSD(T) level in combination with large basis sets. At a lower level of theory, an interaction of neon atom with 1,3-cyclopentadiene ring and with five- and six-membered rings in carbazole was studied using the restricted Hartree–Fock (RHF) and density functional theory (DFT) combined with smaller basis sets. The RHF and DFT modelling of neon interaction with nanosized objects were performed on cyclacenes and selected fullerenes.
Efficient Modeling of NMR Parameters in Carbon Nanosystems
2015
Rapid growth of nanoscience and nanotechnology requires new and more powerful modeling tools. Efficient theoretical modeling of large molecular systems at the ab initio and Density Functional Theory (DFT) levels of theory depends critically on the size and completeness of the basis set used. The recently designed variants of STO-3G basis set (STO-3Gel, STO-3Gmag), modified to correctly predict electronic and magnetic properties were tested on simple models of pristine and functionalized carbon nanotube (CNT) systems and fullerenes using the B3LYP and VSXC density functionals. Predicted geometries, vibrational properties, and HOMO/LUMO gaps of the model systems, calculated with typical 6-31G…
Edelstein-Suzuki-type resuls for self-mappings in various abstract spaces with application to functional equations
2016
Abstract The fixed point theory provides a sound basis for studying many problems in pure and applied sciences. In this paper, we use the notions of sequential compactness and completeness to prove Eldeisten-Suzuki-type fixed point results for self-mappings in various abstract spaces. We apply our results to get a bounded solution of a functional equation arising in dynamic programming.