Wyniki wyszukiwania dla: Born-Oppenheimer approximation - MOST Wiedzy

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Wyniki wyszukiwania dla: Born-Oppenheimer approximation

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Wyniki wyszukiwania dla: Born-Oppenheimer approximation

  • Fast Basis Function Estimators for Identification of Nonstationary Stochastic Processes

    Publikacja

    The problem of identification of a linear nonsta-tionary stochastic process is considered and solved using theapproach based on functional series approximation of time-varying parameter trajectories. The proposed fast basis func-tion estimators are computationally attractive and yield resultsthat are better than those provided by the local least squaresalgorithms. It is shown that two...

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  • Theory of valence-band and core-level photoemission from plutonium dioxide

    Publikacja

    - Journal of Physics : Conference Series - Rok 2015

    The correlated-band theory implemented as a combination of the local-density approximation with the dynamical mean-field theory is applied to PuO2. An insulating electronic structure, consistent with the experimental valence-band photoemission spectra, is obtained. The calculations yield a nonmagnetic ground state that is characterized by a noninteger filling of the plutonium 5f shell. The noninteger filling as well as the satellites...

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  • Detection of Toxoplasma gondii in meat - available techniques

    Publikacja

    - Rok 2012

    Toxoplasma gondii, which belongs to the phylum Apicomplexa, is an absolute intercellular parasite that infects a wide range of hosts, including warm-blooded animals and humans. An infection with this parasite causes toxoplasmosis, which in most cases remains latent. However, this disease is a major threat to immunocompromised people and pregnant women. In extreme cases, it can damage nervous system or case fatal abortion. Infected...

  • FIR Filter Design Using Distributed Maximal Flatness Method

    In the paper a novel method for filter design based on the distributed maximal flatness method is presented. The proposed approach is based on the method used to design the most common FIR fractional delay filter - the maximally flat filter. The MF filter demonstrates excellent performance but only in a relatively narrow frequency range around zero frequency but its magnitude response is no greater than one. This ,,passiveness”...

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  • On refined constitutive equations in the six-field theory of elastic shells

    Publikacja

    - Rok 2014

    Within the resultant six-field shell theory, the second approximation to the complementary energy density of an isotropic elastic shell undergoing small strains is constructed. In this case, the resultant drilling couples are expressed explicitly by the stress resultants and stress couples as well as by amplitudes of the quadratic and cubic distributions of an intrinsic deviation vector. The refined 2D strain-stress and stress-strain...

  • Trust Dynamics Analysis of CTR Scheme Subversion under Virtual Anonymity and Trust-Unaware Partner Selection

    Publikacja

    - Rok 2016

    We propose a framework to study Markovian trust value dynamics in a centralized Computational Trust and Reputation (CTR) scheme under trust-unaware partner selection using a mean-value approximation. Analytically founded answers are sought to questions like: Can dishonest agents subvert the CTR scheme (i.e., acquire higher trust values than honest agents)? Is indirect reciprocity incentivized? Is there a qualitative impact of a...

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  • Response features for fast EM-driven design of miniaturized impedance matching transformers

    Publikacja

    - Rok 2016

    A framework for low-cost EM-driven design optimization of compact impedance matching transformers is presented. Our technique is based on a bottom-up design where design requirements for the transformer circuit are translated into specifications for its building blocks. These elementary cells are optimized using response features. Subsequently, the entire circuit is fine-tuned using local response surface approximation models and...

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  • Locating and Identifying Ferromagnetic Objects

    Publikacja

    - Rok 2011

    The new non-iterative method of determining the dipole moment and location is presented in this paper. The algorithm of an object's localization and identification was achieved by using numerical calculations and approximation method. The arbitrary shapes of an object were assumed in the identification algorithm - axially symmetric spheroid (a prolate and an oblate). Several examples of localization and identification of an object's...

  • A Method for Optimising the Blade Profile in Kaplan Turbine

    Publikacja

    - Rok 2011

    This paper introduces a method of blade profile optimisation for Kaplan-type turbines, based on modelling the interaction between rotor and stator blades. Rotor and stator blade geometry is described mathematically by means of a midline curve and thickness distribution. Genetic algorithms are then used to find a global optimum that minimises the loss coefficient. This allows for variety of possible blade shapes and configurations....

  • Locating and Identifying Ferromagnetic Objects

    The new non-iterative method of determining the dipole moment and location is presented in this paper. The algorithm of an object's localization and identification was achieved by using numerical calculations and approximation method. The arbitrary shapes of an object were assumed in the identification algorithm - axially symmetric spheroid (a prolate and an oblate). Several examples of localization and identification of an object's...

  • A Simulative Comparison of Ship Domains and Their Polygonal Approximations

    The paper investigates the impact of a precise ship domain shape on the size of collision avoidance manoeuvres. The considered collision avoidance manoeuvres include both course and speed alterations. Various ship domains are compared with their polygonal approximations, which vary in the number of points of a domain contour and placement of these points. The best of all considered approximations is determined in the course of...

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  • Elastic scattering of electrons from chloroform

    Publikacja
    • B. Hlousek
    • M. F. Martin
    • M. Khakoo
    • M. Zawadzki
    • G. M. Moreira
    • L. S. Maioli
    • M. Bettega
    • L. Machado
    • V. A. S. d. Mata
    • A. J. da Silva... i 3 innych

    - PHYSICAL REVIEW A - Rok 2019

    We present experimental and theoretical cross sections for elastic electron scattering from CHCl3. This is an important target because of its relevance to environmental chemistry and the plasma etching industry as a source of chlorine radicals. The experimental results were obtained at incident electron energies ranging from 0.5 to 800 eV in the 10deg-130deg scattering angle range. Theoretically, the scattering cross sections in...

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  • Scheduling with Complete Multipartite Incompatibility Graph on Parallel Machines: Complexity and Algorithms

    Publikacja

    - ARTIFICIAL INTELLIGENCE - Rok 2022

    In this paper, the problem of scheduling on parallel machines with a presence of incompatibilities between jobs is considered. The incompatibility relation can be modeled as a complete multipartite graph in which each edge denotes a pair of jobs that cannot be scheduled on the same machine. The paper provides several results concerning schedules, optimal or approximate with respect to the two most popular criteria of optimality:...

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  • Soil and groundwater fecal contamination as a result of sewage sludge land application.

    The release of sludge-born bacteria and their further transport in subsurface was studied. The migration of bacteria was investigated in column experiments which were carried out under the conditions corresponding to naturally occurring extreme rainfall. Coal fly ash as well as coarse and medium grained sand, which properties are similar to the soils present in degraded areas, were used as column beds. Sewage sludge was applied...

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  • The influence of cultivation conditions on the myrosinase activity and glucosinolate content in white cabbage

    In the process of biofumigation typically natural compounds present in Brassicaceae family are used to combat pests and protect crops. Glucosinolates, sulfur-containing secondary metabolites found in Brassica plants, are hydrolized by the enzyme myrosinase (β-thioglucosidase, EC 3.2.3.1) with the liberation of degradation products such as isothiocyanates, nitriles, thiocyanates and epithionitriles. Isothiocyanates are the most...

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  • On FEM analysis of Cosserat-type stiffened shells. Static and stability linear analysis

    The present research investigates the theory and numerical analysis of shells stiffened with beams in the framework based on the geometrically exact theories of shells and beams. Shell’s and beam’s kinematics are described by the Cosserat surface and the Cosserat rod respectively, which are consistent including deformation and strain measures. A FEM approximation of the virtual work principle leads to the conforming shell and beam...

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  • Fast Multi-Objective Antenna Design Through Variable-Fidelity EM Simulations

    Publikacja

    A technique for fast multi-objective antenna optimization is introduced. A kriging interpolation surrogate constructed from sampled coarse-mesh EM simulations is utilized by multi-objective evolutionary algorithm (MOEA) to obtain the initial Pareto front approximation. The surrogate is defined in a subset of the original design space, determined by means of independently optimized individual objectives. Response correction techniques...

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  • Variable-fidelity shape optimization of dual-rotor wind turbines

    Publikacja

    - ENGINEERING COMPUTATIONS - Rok 2018

    Purpose Dual-rotor wind turbines (DRWTs) are a novel type of wind turbines that can capture more power than their single-rotor counterparts. Because their surrounding flow fields are complex, evaluating a DRWT design requires accurate predictive simulations, which incur high computational costs. Currently, there does not exist a design optimization framework for DRWTs. Since the design optimization of DRWTs requires numerous model...

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  • Strategies for computationally feasible multi-objective simulation-driven design of compact RF/microwave components

    Multi-objective optimization is indispensable when possible trade-offs between various (and usually conflicting) design objectives are to be found. Identification of such design alternatives becomes very challenging when performance evaluation of the structure/system at hand is computationally expensive. Compact RF and microwave components are representative examples of such a situation: due to highly compressed layouts and considerable...

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  • Rozpoznawanie oraz lokalizacja w obrazie przewodów linii wysokiego napięcia

    W pracy przedstawiono opracowany algorytm rozpoznawania oraz lokalizacji przewodów linii wysokiego napięcia na podstawie obrazu horyzontalnego. Procedura detekcji przewodu została podzielona na trzy etapy. Pierwszy etap zawiera algorytm wykrywania krawędzi wykazujący największą czułość na krawędzie poziome, a jednocześnie brak czułości na krawędzie pionowe. Efektem jest znaczna redukcja liczby wykrytych krawędzi w porównaniu do...

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  • Depth Determination Accuracy of the Modified Prony Method in a Swath Mapping Application

    Publikacja

    - Rok 2018

    This article presents the performance of the modified Prony method in a swath mapping application. Depth determination accuracy is assessed by processing raw signal acquired by an EdgeTech 6205 swath bathymetry system over flat seafloor. An updated version of the method, proposed previously by the authors, is used to determine the number of signal echoes. The number of signal echoes is essential for performing the low-rank approximation...

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  • Using Wearable Electronics to Estimate Usefulness of Heart Rate Variability for Bathing Person Identif Cation

    In this paper the possibility of person identification based on biosignal is investigated. The work focus on the analysis of the changes in intervals between successive R-waves of electrocardiogram (ECG) recorded by wearable electronics in form of a necklaces. The main idea behind this project is to find efficient tool which may prevent sudden consciousness loss episodes or even sudden death episodes related to rapid temperature...

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  • Local basis function estimators for identification of nonstationary systems

    Publikacja

    The problem of identification of a nonstationary stochastic system is considered and solved using local basis function approximation of system parameter trajectories. Unlike the classical basis function approach, which yields parameter estimates in the entire analysis interval, the proposed new identification procedure is operated in a sliding window mode and provides a sequence of point (rather than interval) estimates. It is...

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  • Active Dynamic Thermography imaging of wound healing processes in cardio surgery

    Publikacja

    - Rok 2014

    The surgery is a branch of medicine, that is integrally connected to wounds. Despite using sterile tools and compliance with aseptic rolls, some of the surgery wounds become infected. In clinical practice there is a lack of cheap, objective methods and tools for quantitative definition and estimation of the surgery wound healing progress. This paper presents preliminary results of Active Dynamic Thermography (ADT) parametric imaging...

  • Approximate solution for Euler equations of stratified water via numerical solution of coupled KdV system

    Publikacja

    We consider Euler equations with stratified background state that is valid for internal water waves. The solution of the initial-boundary problem for Boussinesq approximation in the waveguide mode is presented in terms of the stream function. The orthogonal eigenfunctions describe a vertical shape of the internal wave modes and satisfy a Sturm-Liouville problem. The horizontal profile is defined by a coupled KdV system which is...

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  • Dependent self-employed individuals: are they different from paid employees?

    Publikacja

    - Employee Relations - Rok 2023

    This study focuses on dependent self-employment, which covers a situation where a person works for the same employer as a typical worker while on a self-employment contractual basis, i.e., without a traditional employment contract and without certain rights granted to "regular" employees. The research exploits the individual-level dataset of 35 European countries extracted from the 2017 edition of the European Labour Force Survey...

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  • An overview of fermentation in the food industry - looking back from a new perspective

    Publikacja
    • S. A. Siddiqui
    • Z. Erol
    • J. Rugji
    • F. Taşçı
    • H. A. Kahraman
    • V. Toppi
    • L. Musa
    • G. Di Giacinto
    • N. A. Bahmid
    • M. Mehdizadeh
    • R. Castro Munoz

    - Bioresources and Bioprocessing - Rok 2023

    Fermentation is thought to be born in the Fertile Crescent, and since then, almost every culture has integrated fermented foods into their dietary habits. Originally used to preserve foods, fermentation is now applied to improve their physicochemical, sensory, nutritional, and safety attributes. Fermented dairy, alcoholic beverages like wine and beer, fermented vegetables, fruits, and meats are all highly valuable due to their...

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  • Wykorzystanie analizy kosztów w zarządzaniu szpitalem publicznym

    Problemy z finansowaniem opieki zdrowotnej obserwowane są praktycznie na całym świecie. Jako przyczyny wzrostu wydatków uważa się głównie starzenie się populacji, złożoną naturę współczesnych chorób i szerokie wykorzystywanie kosztownych technologii. Systemy opieki zdrowotnej na całym świecie stają przed trudnym wyzwaniem zwiększenia efektywności, co oznacza kontrolowanie kosztów, przy jednoczesnym zapewnieniu wysokiej jakości...

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  • The Implementation of the Taxonomic Spatial Measure of Development in the Analysis of Convergence in the Standard of Living

    The main goal of this paper is to analyse the existence of the social convergence in the European Union between 19952012. The social convergence refers to a reduction in the dispersion of the standard of living across countries. A taxonomic spatial measure of development was used as the standard of living approximation. The use of the new approach proposed by E. Antczak allowed for an explanation of the disparities in the analysed...

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  • Ways of Harmonising Polish Competition Law with the Competition Law of the EU

    This article discusses the harmonisation of laws within the EU focusing on the specific ways of achieving an approximation of the Polish legal system with European competition law. It identifies and gives an overview of three specific ways of harmonising national laws with EU antitrust provisions: (1) spontaneous (or bottom-up) harmonisation; (2) judicial harmonisation and; (3) legislative harmonisation by means of EU Directives....

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  • Rotational Design Space Reduction for Cost-Efficient Multi-Objective Antenna Optimization

    Publikacja

    Cost-efficient multi-objective design of antenna structures is presented. Our approach is based on design space reduction algorithm using auxiliary single-objective optimization runs and coordinate system rotation. The initial set of Pareto-optimal solutions is obtained by optimizing a response surface approximation model established in the reduced space using coarse-discretization EM simulation data. The optimization engine is...

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  • A Compact Basis for Reliable Fast Frequency Sweep via the Reduced-Basis Method

    A reliable reduced-order model (ROM) for fast frequency sweep in time-harmonic Maxwell’s equations by means of the reduced-basis method is detailed. Taking frequency as a parameter, the electromagnetic field in microwave circuits does not arbitrarily vary as frequency changes, but evolves on a very low-dimensional manifold. Approximating this low-dimensional manifold by a low dimension subspace, namely, reduced-basis space, gives...

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  • A spline-based FE approach to modelling of high frequency dynamics of 1-D structures

    In this paper a computational methodology leading to the development of a new class of FEs, based on the application of continuous and smooth approximation polynomials, being splines, has been presented. Application of the splines as appropriately defined piecewise elemental shape functions led the authors to the formulation of a new approach for FEM, named as spFEM, where contrary to the well-known NURBS approach, the boundaries...

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  • Energy conversion in systems-contained laser irradiated metallic nanoparticles - comparison of results from analytical solutions and numerical methods

    This work introduces the theoretical method of metallic nanoparticles’ (NPs’) heat and mass transfer where the particles are coated on a surface (base), together with considering the case wherein nanoparticles move freely in a pipe. In order to simulate the heat transfer, energy and radiative transfer equations are adjusted to the considered issue. NPs’ properties are determined following the nanofluidic theories, whereas absorption...

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  • Convergence of rational multistep methods of of Adams-Padé type

    Publikacja

    - BIT NUMERICAL MATHEMATICS - Rok 2012

    Rational generalizations of multistep schemes, where the linear stiff part of a given problem is treated by an A-stable rational approximation, have been proposed by several authors, but a reasonable convergence analysis for stiff problems has not been provided so far. In this paper we directly relate this approach to exponential multistep methods, a subclass of the increasingly popular class of exponential integrators. This natural,...

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  • Approximate models and parameter analysis of the flow process in transmission pipelines

    Publikacja

    the paper deals with the problem of early leak detection in transmission pipelines. First we present the derivation of state-space equations of the flow process in the pipelines. This description is then aggregated in order to obtain a principal model. Next, the problem of process model parameterization is addressed, taking into account the maximization of a model stability margin. The location of the maximum is determined using...

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  • Enhancing capabilities of Atomic Force Microscopy by tip motion harmonics analysis

    Motion of a tip used in an atomic force microscope can be described by the Lennard-Jones potential, approximated by the van der Waals force in a long-range interaction. Here we present a general framework of approximation of the tip motion by adding three terms of Taylor series what results in non-zero harmonics in an output signal. We have worked out a measurement system which allows recording of an excitation tip signal and its...

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  • Stateczność i niezawodność pełnomorskich platform wiertniczych

    Publikacja

    - Rok 2019

    W pracy przedstawiono wieloletnie doświadczenia Autora w zakresie wybranych aspektów numerycznej analizy pełnomorskich platform wiertniczych, w szczególności stacjonarnych platform stalowych poddanych działaniu fal wiatrowych i wiatru. W opisie zachowania się platform uwzględniono współoddziaływanie trzech ośrodków: materiału konstrukcji, morskich fal wiatrowych i podłoża gruntowego. Przyjęcie do opisu stochastycznych właściwości...

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  • Free trade with the former COMECON Countries as Unequal Exchange

    Publikacja

    - Rok 2023

    Two authors of this chapter were born to the East of what was once The Iron Curtain and two to the West. From both angles, the two systems – capitalism and communism – seemed to be as contrary to each other as possible. Few people are aware that in terms of industrial and trade policy, both classical capitalism and communism had a common root in the theories of German economist Friedrich List (1789-1846) (List, 1841). In fact,...

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  • Shared processor scheduling

    Publikacja

    - JOURNAL OF SCHEDULING - Rok 2018

    We study the shared processor scheduling problem with a single shared processor to maximize total weighted overlap, where an overlap for a job is the amount of time it is processed on its private and shared processor in parallel. A polynomial-time optimization algorithm has been given for the problem with equal weights in the literature. This paper extends that result by showing an (log)-time optimization algorithm for a class...

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  • Chemometrics for Selection, Prediction, and Classification of Sustainable Solutions for Green Chemistry—A Review

    In this review, we present the applications of chemometric techniques for green and sustainable chemistry. The techniques, such as cluster analysis, principal component analysis, artificial neural networks, and multivariate ranking techniques, are applied for dealing with missing data, grouping or classification purposes, selection of green material, or processes. The areas of application are mainly finding sustainable solutions...

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  • Shape Optimisation of Kaplan Turbine Blades Using Genetic Algorithms

    Publikacja

    - Rok 2017

    This monograph is a comprehensive guide to a method of blade profile optimisation for Kaplan-type turbines. This method is based on modelling the interaction between rotor and stator blades. Additionally, the shape of the draft tube is investigated. The influence of the periodic boundary condition vs. full geometry is also discussed. Evolutionary algorithms (EA) are used as an optimisation method together with artificial neural...

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  • Optimization of a Fabry-Perot Sensing Interferometer design for an optical fiber sensor of hematocrit level

    Continuous measurement of the hemato crit level in blo o d can p otentially b e p erformed using optical bre sensors. The FabryPerot interferometric sensors are a promising candidate in this application. The most imp ortant step in the design of the sensor is design of the sensing interferometer. Adequate cavity length and high interference contrast are two most imp ortant requirements in this application. The design metho d of...

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  • Structural properties of hypothetical CeBa2Cu3O7 compound from LSDA+DMFT calculations

    Publikacja

    The hypothetical stoichiometric CeBa2Cu3O7 (Ce123) compound, which has not been synthesized as a single phase yet, was studied by the density functional theory (DFT). We utilized a method which merges the local spin density approximation (LSDA) with the dynamical mean-field theory (DMFT) to account for the electronic correlations. The LSDA+DMFT calculations were performed in the high-temperature range. The particular emphasis was...

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  • Global Optimization for Recovery of Clipped Signals Corrupted With Poisson-Gaussian Noise

    Publikacja

    - IEEE SIGNAL PROCESSING LETTERS - Rok 2020

    We study a variational formulation for reconstructing nonlinearly distorted signals corrupted with a Poisson-Gaussian noise. In this situation, the data fidelity term consists of a sum of a weighted least squares term and a logarithmic one. Both of them are precomposed by a nonlinearity, modelling a clipping effect, which is assumed to be rational. A regularization term, being a piecewise rational approximation of the ℓ0 function...

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  • Władza misjonarzy. Zmierzch i świt świeckiej religii w Dolinie Krzemowej

    Publikacja

    - Rok 2023

    "Władza misjonarzy" to książka o misjonarskim zapale zmieniania świata i o kryzysie świeckiej religii towarzyszącej liderom nowych technologii, o ich świętokradztwach i sprofesjonalizowanej pokucie mającej przywrócić harmonię technologicznego raju na ziemi z Alphabetem, Metą, Apple i TikTokiem w roli głównej. Także o skruszonych inżynierach, żałujących każdej chwili, którą poświęcili na wymyślanie uzależniających algorytmicznych rozwiązań...

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  • The use of Markov chains in the social convergence analysis

    Publikacja

    - Rok 2015

    The main goal of this article is to analyze the social convergence process using Markov chains. In this research, term social convergence refers to the reduction of dispersion in the standard of living among countries. The use of Markov chains in the social convergence analysis allowed describing movements of observational units within the distribution and providing more details about the mechanism of the convergence process. A...

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  • Novel Analytic-Numerical Model of Free Convection: with Leading Edge Considered

    Publikacja

    A novel solution of the free convection boundary problem is represented in analytical form for velocity and temperature for an isothermal vertical plate, as an example. These fields are built as a Taylor Series in the x coordinate with coefficients as functions of the vertical coordinate (y). We restrict ourselves by cubic approximation for both functions. The basic Navier-Stokes and Fourier-Kirchhoff equations and boundary conditions...

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  • Locally Adaptive Cooperative Kalman Smoothing and Its Application to Identification of Nonstationary Stochastic Systems

    One of the central problems of the stochastic approximation theory is the proper adjustment of the smoothing algorithm to the unknown, and possibly time-varying, rate and mode of variation of the estimated signals/parameters. In this paper we propose a novel locally adaptive parallel estimation scheme which can be used to solve the problem of fixed-interval Kalman smoothing in the presence of model uncertainty. The proposed solution...

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  • The complexity of bicriteria tree-depth

    Publikacja

    The tree-depth problem can be seen as finding an elimination tree of minimum height for a given input graph G. We introduce a bicriteria generalization in which additionally the width of the elimination tree needs to be bounded by some input integer b. We are interested in the case when G is the line graph of a tree, proving that the problem is NP-hard and obtaining a polynomial-time additive 2b-approximation algorithm. This particular...

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