Search results for "interpolation"

Bond-extended stochastic and nonstochastic bilinear indices. I. QSPR/QSAR applications to the description of properties/activities of small-medium si…

2010

Bond-extended stochastic and nonstochastic bilinear indices are introduced in this article as novel bond-level molecular descriptors (MDs). These novel totals (whole-molecule) MDs are based on bilinear maps (forms) similar to use defined in linear algebra. The proposed nonstochastic indices try to match molecular structure provided by the molecular topology by using the kth Edge(Bond)-Adjacency Matrix (Ek, designed here as a nonstochastic E matrix). The stochastic parameters are computed by using the kth stochastic edge-adjacency matrix, ESk, as matrix operators of bilinear transformations. This new edge (bond)-adjacency relationship can be obtained directly from Ek and can be considered li…

tomocomd-camps and protein bilinear indices - novel bio-macromolecular descriptors for protein research: I. Predicting protein stability effects of a…

2010

Descriptors calculated from a specific representation scheme encode only one part of the chemical information. For this reason, there is a need to construct novel graphical representations of proteins and novel protein descriptors that can provide new information about the structure of proteins. Here, a new set of protein descriptors based on computation of bilinear maps is presented. This novel approach to biomacromolecular design is relevant for QSPR studies on proteins. Protein bilinear indices are calculated from the kth power of nonstochastic and stochastic graph–theoretic electronic-contact matrices, and , respectively. That is to say, the kth nonstochastic and stochastic protein bili…

Bond-based bilinear indices for computational discovery of novel trypanosomicidal drug-like compounds through virtual screening

2014

Two-dimensional bond-based bilinear indices and linear discriminant analysis are used in this report to perform a quantitative structure-activity relationship study to identify new trypanosomicidal compounds. A data set of 440 organic chemicals, 143 with antitrypanosomal activity and 297 having other clinical uses, is used to develop the theoretical models. Two discriminant models, computed using bond-based bilinear indices, are developed and both show accuracies higher than 86% for training and test sets. The stochastic model correctly indentifies nine out of eleven compounds of a set of organic chemicals obtained from our synthetic collaborators. The in vitro antitrypanosomal activity of …

O(αs) longitudinal spin polarization in heavy-quark production

1995

We present the massive one-loop QCD corrections to the production cross sections of polarized quarks in the annihilation process ${\mathit{e}}^{+}$${\mathit{e}}^{\mathrm{\ensuremath{-}}}$\ensuremath{\rightarrow}qq\ifmmode\bar\else\textasciimacron\fi{}(g) for bottom, top, and charm quarks. From the full analytical expressions for the production cross sections, Schwinger-type interpolation formulas for all parity-parity combinations (VV, VA, AA) are derived. The parity-odd interpolation formula contains the correct limit for vanishing quark masses taking into account a residual coupling of left- and right-chiral states in the massless theory. Numerical results for the total cross section and …

Second-order tensorial calibration for kinetic spectrophotometric determination

1996

Abstract Kinetic-diode array spectrophotometric detection, as well as other multichannel techniques when used in non-equilibrium conditions, constitute second-order instrumentation. The second-order response provided will be bilinear, under certain conditions even trilinear, thus allowing the use of the generalized rank annihilation method (GRAM) and the trilinear decomposition method (TLD). Both numerically simulated and experimental data were used to evaluate the performance of these calibration techniques. The conditions in which the ‘second-order advantage’ (the possibility of quantifying the analytes in the presence of unknown reactions or interferences) is preserved were investigated.…

On fractional smoothness and Lp-approximation on the Wiener space

2015

Interpolation and approximation in L2(γ)

AbstractAssume a standard Brownian motion W=(Wt)t∈[0,1], a Borel function f:R→R such that f(W1)∈L2, and the standard Gaussian measure γ on the real line. We characterize that f belongs to the Besov space B2,qθ(γ)≔(L2(γ),D1,2(γ))θ,q, obtained via the real interpolation method, by the behavior of aX(f(X1);τ)≔∥f(W1)-PXτf(W1)∥L2, where τ=(ti)i=0n is a deterministic time net and PXτ:L2→L2 the orthogonal projection onto a subspace of ‘discrete’ stochastic integrals x0+∑i=1nvi-1(Xti-Xti-1) with X being the Brownian motion or the geometric Brownian motion. By using Hermite polynomial expansions the problem is reduced to a deterministic one. The approximation numbers aX(f(X1);τ) can be used to descr…

Einleitung / Introduzione

2018

A bilinear version of Orlicz–Pettis theorem

2008

Abstract Given three Banach spaces X, Y and Z and a bounded bilinear map B : X × Y → Z , a sequence x = ( x n ) n ⊆ X is called B -absolutely summable if ∑ n = 1 ∞ ‖ B ( x n , y ) ‖ Z is finite for any y ∈ Y . Connections of this space with l weak 1 ( X ) are presented. A sequence x = ( x n ) n ⊆ X is called B -unconditionally summable if ∑ n = 1 ∞ | 〈 B ( x n , y ) , z ∗ 〉 | is finite for any y ∈ Y and z ∗ ∈ Z ∗ and for any M ⊆ N there exists x M ∈ X for which ∑ n ∈ M 〈 B ( x n , y ) , z ∗ 〉 = 〈 B ( x M , y ) , z ∗ 〉 for all y ∈ Y and z ∗ ∈ Z ∗ . A bilinear version of Orlicz–Pettis theorem is given in this setting and some applications are presented.

Adaptation based on interpolation errors for high order mesh refinement methods applied to conservation laws

2012

Adaptive mesh refinement is nowadays a widely used tool in the numerical solution of hyperbolic partial differential equations. The algorithm is based on the numerical approximation of the solution of the equations on a hierarchical set of meshes with different resolutions. Among the different parts that compose an adaptive mesh refinement algorithm, the decision of which level of resolution is adequate for each part of the domain, i.e., the design of a refinement criterion, is crucial for the performance of the algorithm. In this work we analyze a refinement strategy based on interpolation errors, as a building block of a high order adaptive mesh refinement algorithm. We show that this tec…