scholarly journals Algorithm for Calculating the Global Minimum of a Smooth Function of Several Variables

2021 ◽  
Vol 8 (4) ◽  
pp. 591-596
Author(s):  
Zhetkerbay Kaidassov ◽  
Zhailan S. Tutkusheva

Every year the interest of theorists and practitioners in optimisation problems is growing, and extreme problems are found in all branches of science. Local optimisation problems are well studied and there are constructive methods for their solution. However, global optimisation problems do not meet the requirements in practice; therefore, the search for the global minimum remains one of the major challenges for computational and applied mathematics. This study discusses the search for the global minimum of multidimensional and multiextremal problems with high precision. Mechanical quadrature formulas, that is, the formulas for approximate integration were applied to calculate the integrals. Of all the approximate integration formulas, the Sobolev lattice cubature formulas with a regular boundary layer were chosen. In multidimensional examples, the Sobolev formulas are optimal. Computational experiments were carried out in the most popular C++ programming language. Based on the computational experiments, a new algorithm was proposed. In three-dimensional space, the calculations of the global minimum have been described using specific examples. Computational experiments show that the proposed algorithm works for multiextremal problems with the same amount of time as for convex ones.

Author(s):  
Leiba Rodman

Quaternions are a number system that has become increasingly useful for representing the rotations of objects in three-dimensional space and has important applications in theoretical and applied mathematics, physics, computer science, and engineering. This is the first book to provide a systematic, accessible, and self-contained exposition of quaternion linear algebra. It features previously unpublished research results with complete proofs and many open problems at various levels, as well as more than 200 exercises to facilitate use by students and instructors. Applications presented in the book include numerical ranges, invariant semidefinite subspaces, differential equations with symmetries, and matrix equations. Designed for researchers and students across a variety of disciplines, the book can be read by anyone with a background in linear algebra, rudimentary complex analysis, and some multivariable calculus. Instructors will find it useful as a complementary text for undergraduate linear algebra courses or as a basis for a graduate course in linear algebra. The open problems can serve as research projects for undergraduates, topics for graduate students, or problems to be tackled by professional research mathematicians. The book is also an invaluable reference tool for researchers in fields where techniques based on quaternion analysis are used.


2014 ◽  
Vol 915-916 ◽  
pp. 1062-1065
Author(s):  
Yong Yi Huang

The rise of wavelet analysis in applied mathematics is due to its applications and the flex- ibility. We introduce vector-valued wave wraps with multi-scale dilation factor for space , which is the generalization of univariate wavelet packets. A method for constructing a sort of orthogo-nal vector-valued wavelet wraps in three-dimensional space is presented and their orthogonality traits are characterized by virtue of iteration method and time-frequency analysis method. The orthog-onality formulas concerning these wave packets are established. Moreover, it is shown how to obtain new Riesz bases of space from these wave wraps. The notion of multiple pseudo fames for subspaces with integer translation is proposed. The construction of a generalized multiresolution structure of Paley-Wiener subspaces of is investigated. The pyramid decomposition scheme is derived based on a generalized multiresolution structure.


Author(s):  
Paul Sutcliffe

The Skyrme–Faddeev model is a modified sigma model in three-dimensional space, which has string-like topological solitons classified by the integer-valued Hopf charge. Numerical simulations are performed to compute soliton solutions for Hopf charges up to 16, with initial conditions provided by families of rational maps from the three-sphere into the complex projective line. A large number of new solutions are presented, including a variety of torus knots for a range of Hopf charges. Often these knots are only local energy minima, with the global minimum being a linked solution, but for some values of the Hopf charge they are good candidates for the global minimum energy solution. The computed energies are in agreement with Ward's conjectured energy bound.


Author(s):  
David A. Agard ◽  
Yasushi Hiraoka ◽  
John W. Sedat

In an effort to understand the complex relationship between structure and biological function within the nucleus, we have embarked on a program to examine the three-dimensional structure and organization of Drosophila melanogaster embryonic chromosomes. Our overall goal is to determine how DNA and proteins are organized into complex and highly dynamic structures (chromosomes) and how these chromosomes are arranged in three dimensional space within the cell nucleus. Futher, we hope to be able to correlate structual data with such fundamental biological properties as stage in the mitotic cell cycle, developmental state and transcription at specific gene loci.Towards this end, we have been developing methodologies for the three-dimensional analysis of non-crystalline biological specimens using optical and electron microscopy. We feel that the combination of these two complementary techniques allows an unprecedented look at the structural organization of cellular components ranging in size from 100A to 100 microns.


Author(s):  
K. Urban ◽  
Z. Zhang ◽  
M. Wollgarten ◽  
D. Gratias

Recently dislocations have been observed by electron microscopy in the icosahedral quasicrystalline (IQ) phase of Al65Cu20Fe15. These dislocations exhibit diffraction contrast similar to that known for dislocations in conventional crystals. The contrast becomes extinct for certain diffraction vectors g. In the following the basis of electron diffraction contrast of dislocations in the IQ phase is described. Taking account of the six-dimensional nature of the Burgers vector a “strong” and a “weak” extinction condition are found.Dislocations in quasicrystals canot be described on the basis of simple shear or insertion of a lattice plane only. In order to achieve a complete characterization of these dislocations it is advantageous to make use of the one to one correspondence of the lattice geometry in our three-dimensional space (R3) and that in the six-dimensional reference space (R6) where full periodicity is recovered . Therefore the contrast extinction condition has to be written as gpbp + gobo = 0 (1). The diffraction vector g and the Burgers vector b decompose into two vectors gp, bp and go, bo in, respectively, the physical and the orthogonal three-dimensional sub-spaces of R6.


2004 ◽  
Vol 71 ◽  
pp. 1-14
Author(s):  
David Leys ◽  
Jaswir Basran ◽  
François Talfournier ◽  
Kamaldeep K. Chohan ◽  
Andrew W. Munro ◽  
...  

TMADH (trimethylamine dehydrogenase) is a complex iron-sulphur flavoprotein that forms a soluble electron-transfer complex with ETF (electron-transferring flavoprotein). The mechanism of electron transfer between TMADH and ETF has been studied using stopped-flow kinetic and mutagenesis methods, and more recently by X-ray crystallography. Potentiometric methods have also been used to identify key residues involved in the stabilization of the flavin radical semiquinone species in ETF. These studies have demonstrated a key role for 'conformational sampling' in the electron-transfer complex, facilitated by two-site contact of ETF with TMADH. Exploration of three-dimensional space in the complex allows the FAD of ETF to find conformations compatible with enhanced electronic coupling with the 4Fe-4S centre of TMADH. This mechanism of electron transfer provides for a more robust and accessible design principle for interprotein electron transfer compared with simpler models that invoke the collision of redox partners followed by electron transfer. The structure of the TMADH-ETF complex confirms the role of key residues in electron transfer and molecular assembly, originally suggested from detailed kinetic studies in wild-type and mutant complexes, and from molecular modelling.


1997 ◽  
Vol 84 (1) ◽  
pp. 176-178
Author(s):  
Frank O'Brien

The author's population density index ( PDI) model is extended to three-dimensional distributions. A derived formula is presented that allows for the calculation of the lower and upper bounds of density in three-dimensional space for any finite lattice.


2019 ◽  
Author(s):  
Jumpei Morimoto ◽  
Yasuhiro Fukuda ◽  
Takumu Watanabe ◽  
Daisuke Kuroda ◽  
Kouhei Tsumoto ◽  
...  

<div> <div> <div> <p>“Peptoids” was proposed, over decades ago, as a term describing analogs of peptides that exhibit better physicochemical and pharmacokinetic properties than peptides. Oligo-(N-substituted glycines) (oligo-NSG) was previously proposed as a peptoid due to its high proteolytic resistance and membrane permeability. However, oligo-NSG is conformationally flexible and is difficult to achieve a defined shape in water. This conformational flexibility is severely limiting biological application of oligo-NSG. Here, we propose oligo-(N-substituted alanines) (oligo-NSA) as a new peptoid that forms a defined shape in water. A synthetic method established in this study enabled the first isolation and conformational study of optically pure oligo-NSA. Computational simulations, crystallographic studies and spectroscopic analysis demonstrated the well-defined extended shape of oligo-NSA realized by backbone steric effects. The new class of peptoid achieves the constrained conformation without any assistance of N-substituents and serves as an ideal scaffold for displaying functional groups in well-defined three-dimensional space, which leads to effective biomolecular recognition. </p> </div> </div> </div>


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