Of an Iterative Procedure for Solving the Optimization Problem into an Ellipsoid
The joint spectral radius of a finite set of real matrices is defined to be the maximum possible exponential rate of growth of products of matrices drawn from that set. In previous work with K. G. Hare and J. Theys we showed that for a certain one-parameter family of pairs of matrices, this maximum possible rate of growth is attained along Sturmian sequences with a certain characteristic ratio which depends continuously upon the parameter. In this note we answer some open questions from that paper...
We develop and test a relatively simple enhancement of the classical model reduction method applied to a class of chemical networks with mass conservation properties. Both the methods, being (i) the standard quasi-steady-state approximation method, and (ii) the novel so-called delayed quasi-steady-state approximation method, firstly proposed by Vejchodský (2014), are extensively presented. Both theoretical and numerical issues related to the setting of delays are discussed. Namely, for one slightly...
Henrici’s transformation is a generalization of Aitken’s -process to the vector case. It has been used for accelerating vector sequences. We use a modified version of Henrici’s transformation for solving some unconstrained nonlinear optimization problems. A convergence acceleration result is established and numerical examples are given.
Shape optimization of a two-dimensional elastic body is considered, provided the material is weakly supporting tension. The problem generalizes that of a masonry dam subjected to its weight and to the hydrostatic pressure. A part of the boundary has to be found so as to minimize a given cost functional. The numerical realization using a penalty method and finite element technique is presented. Some typical results are shown.
A pharmacodynamic model introduced earlier in the literature for in silico prediction of rifampicin-induced CYP3A4 enzyme production is described and some aspects of the involved curve-fitting based parameter estimation are discussed. Validation with our own laboratory data shows that the quality of the fit is particularly sensitive with respect to an unknown parameter representing the concentration of the nuclear receptor PXR (pregnane X receptor). A detailed analysis of the influence of that parameter...
Studying a critical value function in parametric nonlinear programming, we recall conditions guaranteeing that is a function and derive second order Taylor expansion formulas including second-order terms in the form of certain generalized derivatives of . Several specializations and applications are discussed. These results are understood as supplements to the well–developed theory of first- and second-order directional differentiability of the optimal value function in parametric optimization....
In this paper we present theoretical, computational, and practical aspects concerning 3-dimensional shape optimization governed by linear magnetostatics. The state solution is approximated by the finite element method using Nédélec elements on tetrahedra. Concerning optimization, the shape controls the interface between the air and the ferromagnetic parts while the whole domain is fixed. We prove the existence of an optimal shape. Then we state a finite element approximation to the optimization...
The present work is a mathematical analysis of two algorithms, namely the Roothaan and the level-shifting algorithms, commonly used in practice to solve the Hartree-Fock equations. The level-shifting algorithm is proved to be well-posed and to converge provided the shift parameter is large enough. On the contrary, cases when the Roothaan algorithm is not well defined or fails in converging are exhibited. These mathematical results are confronted to numerical experiments performed by chemists.