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Density functional theory calculations on entire proteins for free energies of binding: Application to a model polar binding site
PublicationIn drug optimization calculations, the molecular mechanics Poisson-Boltzmann surface area (MM-PBSA) method can be used to compute free energies of binding of ligands to proteins. The method involves the evaluation of the energy of configurations in an implicit solvent model. One source of errors is the force field used, which can potentially lead to large errors due to the restrictions in accuracy imposed by its empirical nature....
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Adhesive compliance effect in mode I separation:Profilometry approach
PublicationThe effect of adhesive compliance on the deflection of a loaded, bonded beam was studied using laser profilometry. Experimental data obtained were compared with both Euler-Bernoulli (encastré) and Winkler (one parameter elastic foundation) models. A third, analytical, 2D model, based on shear within the adhesive layer (two parameter elastic foundation), was introduced. Finite element analysis (FEA) was also used to study the effect...
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2-Coloring number revisited
Publication2-Coloring number is a parameter, which is often used in the literature to bound the game chromatic number and other related parameters. However, this parameter has not been precisely studied before. In this paper we aim to fill this gap. In particular we show that the approximation of the game chromatic number by the 2-coloring number can be very poor for many graphs. Additionally we prove that the 2-coloring number may grow...
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Identification of nonstationary multivariate autoregressive processes– Comparison of competitive and collaborative strategies for joint selection of estimation bandwidth and model order
PublicationThe problem of identification of multivariate autoregressive processes (systems or signals) with unknown and possibly time-varying model order and time-varying rate of parameter variation is considered and solved using parallel estimation approach. Under this approach, several local estimation algorithms, with different order and bandwidth settings, are run simultaneously and compared based on their predictive performance. First,...
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Resistant to correlated noise and outliers discrete identification of continuous non-linear non-stationary dynamic objects
PublicationIn this article, specific methods of parameter estimation were used to identify the coefficients of continuous models represented by linear and nonlinear differential equations. The necessary discrete-time approximation of the base model is achieved by appropriately tuned FIR linear integral filters. The resulting discrete descriptions, which retain the original continuous parameterization, can then be identified using the classical...
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Resistant to correlated noise and outliers discrete identification of continuous non-linear non-stationary dynamic objects
PublicationIn this study, dedicated methods of parameter estimation were used to identify the coefficients of continuous models represented by linear and nonlinear differential equations. The necessary discrete-time approximation of the base model is achieved by appropriately tuned FIR linear integral filters. The resulting discrete descriptions, which retain the original continuous parameterization, can then be identified using the classical...
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Parametric impulsive noise detector for corrupted audio signals based on hidden Markow model
PublicationThe paper addresses the problem of impulsive noise detection for audio signals. A structure of threshold parameter detectors using modelingof signals was introduced. the algorithm of the noise detection, based on discrete-time hidden Markow model (HMM)of whitened audio signal is elaborated
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Transport of Particles in Intestinal Mucus under Simulated Infant and Adult Physiological Conditions: Impact of Mucus Structure and Extracellular DNA
PublicationThe final boundary between digested food and the cells that take up nutrients in the small intestine is a protective layer of mucus. In this work, the microstructural organization and permeability of the intestinal mucus have been determined under conditions simulating those of infant and adult human small intestines. As a model, we used the mucus from the proximal (jejunal) small intestines of piglets and adult pigs. Confocal...
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Wild oscillations in a nonlinear neuron model with resets: (II) Mixed-mode oscillations
PublicationThis work continues the analysis of complex dynamics in a class of bidimensional nonlinear hybrid dynamical systems with resets modeling neuronal voltage dynamics with adaptation and spike emission. We show that these models can generically display a form of mixed-mode oscillations (MMOs), which are trajectories featuring an alternation of small oscillations with spikes or bursts (multiple consecutive spikes). The mechanism by...
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SiMiSnoRNA: Collection of siRNA, miRNA, and snoRNA database for RNA Interference
PublicationObjective:The discovery of sequence specific gene silencing which occurs due to the presence of double-stranded RNAs has considerable impact on biology, revealing an unknown level of regulation of gene expression. This process is known as RNA interference (RNAi) or RNA silencing in which RNA molecules inhibit gene expression, typically by causing the destruction of specific mRNA molecule. Two types of small RNA molecules - small...
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Estimation of Selected Synchronous Generator Parameters Based on the Gradient Method
PublicationThe authors present a method for the estimation of synchronous generator model parameters using a gradient algorithm. The paper shows an example of model parameter estimation for a turbogenerator and hydrogenerator, based on the generator voltage time responses obtained during an active and reactive power rejection test.
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Tolerance-Aware Multi-Objective Optimization of Antennas by Means of Feature-Based Regression Surrogates
PublicationAssessing the immunity of antenna design to fabrication tolerances is an important consideration, especially when the manufacturing process has not been predetermined. At the same time, the antenna parameter tuning should be oriented toward improving the performance figures pertinent to both electrical (e.g., input matching) and field properties (e.g., axial ratio bandwidth) as much as possible. Identification of available trade-offs...
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Degradation of ferritic X10CrAlSi18 stainless steel caused by slurry
PublicationThe slurry erosion tests of ferritic X10CrAlSi18 steel were carried out using a slurry pot device. In order to investigate the erosion process, two series of tests were performed: first one with a constant impact velocity of 5 m/s, 7 m/s and 9 m/s and the second one, during which the impact velocity was changed after every exposure. During each test, an influence of test conditions on volume loss, surface hardness and roughness...
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Hybrid storage management system consisting of supercapacitors and AHI batteries
PublicationIn the article the hybrid storage, composed of Aqueous Hybrid Ion battery and supercapacitor was presented. The system was tested through simulation studies. The work also describes the construction and properties of the developed device meant to control the energy flow of the storage and a communication system for remote parameter supervision.
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Estimation of Synchronous Generator and AVR Parameters Based on Gradient and Genetic Methods
PublicationThe author present a method for the estimation of selected synchronous generator model and AVR parameters using a gradient and a genetic algorithm. The paper shows an example of model parameter estimation for a turbogenerator, based on the generator voltage time responses obtained during an active and reactive power rejection test
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Economic Situation in Balkan Countries in the First Decade of 21st Century
PublicationThe recent economic crisis affected most of the countries in the world to a greater or lesser extent, including small economies sector. Small economies are a distinctive group of countries distinguished by particular qualities. They are dependent on trade exchange or international investment stream, and both their aggregate demand and supply, and price level depend on the development of the big economies dynamics. This is the reason...
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The use of GIS tools for road infrastructure safety management
PublicationThere are many factors that influence accidents and their severity. They can be grouped within the system of man, vehicle and environment. The article focuses on how GIS tools can be used to manage road infrastructure safety. To ensure a better understanding and identification of road factors, GIS tools help with the acquisition of road parameter data. Their other role is helping with a clear and effective presentation of risk...
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Selecting Features with SVM
PublicationA common problem with feature selection is to establish how many features should be retained at least so that important information is not lost. We describe a method for choosing this number that makes use of Support Vector Machines. The method is based on controlling an angle by which the decision hyperplane is tilt due to feature selection. Experiments were performed on three text datasets generated from a Wikipedia dump. Amount...
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Decoupled Kalman filter based identification of time-varying FIR systems
PublicationWhen system parameters vary at a fast rate, identification schemes based on model-free local estimation approaches do not yield satisfactory results. In cases like this, more sophisticated parameter tracking procedures must be used, based on explicit models of parameter variation (often referred to as hypermodels), either deterministic or stochastic. Kalman filter trackers, which belong to the second category, are seldom used in...
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Assessment of wastewater quality indicators for wastewater treatment influent using an advanced logistic regression model
PublicationInfluent quality indicators play a significant role in wastewater treatment plant performance due to their correlation with reactor operations and effluent quality. However, selecting a specific/best parameter indicator for predicting influent wastewater quality is one of the challenges in wastewa- ter treatment. This study, therefore, focused on determining suitable variables as influent quality indicators. For this purpose, a...
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Takagi-Sugeno Fuzzy Model of Dissolved Oxygen Concentration Dynamics in a Bioreactor at WWTP
PublicationThe importance of dissolved oxygen concentration controlinaerationtanksofabioreactoratflow-throughwastewater treatment plant (WWTP) can easily be justified by technological requirements as well as simple economics. Firstly, appropriate levels of dissolved oxygen concentration are essential for the vitality of microorganisms that comprise the bioreactor. Secondly, the costs of dissolved oxygen concentration control related to the...
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Historia budowy i reaktywacji Kolei Kokoszkowskiej w postaci Pomorskiej Kolei Metropolitalnej
PublicationW artykule została przedstawiona historia budowy Kolei Kokoszkowskiej (otwarcie w 1914 r. i zburzenie w 1945 r.), jej znaczenie dla powiązań przestrzennych Wolnego Miasta Gdańsk i polskich Kaszub, próba jej reaktywacji w związku z rozwojem aglomeracji trójmiejskiej w II połowie XX wieku i ostatecznie budowa po jej śladzie Pomorskiej Kolei Metropolitalnej na początku XXI wieku. W artykule poruszono zagadnienia związane ze sporami...
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Flexoelectricity and apparent piezoelectricity of a pantographic micro-bar
PublicationWe discuss a homogenized model of a pantographic bar considering flexoelectricity. A pantographic bar consists of relatively stiff small bars connected by small soft flexoelectric pivots. As a result, an elongation of the bar relates almost to the torsion of pivots. Taking into account their flexoelectric properties we find the corresponding electric polarization. As a results, the homogenized pantographic bar demonstrates piezoelectric...
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Excavation induced cast iron pipeline failure – a numerical study
PublicationNumerical study on impact of an unsecured excavation on an underground pipeline. Analysis focused on investigation of pipeline displacement generated by soil movement caused by excavation and heavy traffic. Numerical calculations and soil parameter sensitivity analysis based on Finite Element Method. Some comparisons of results with real-life failure cases.
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A robust 18-pulse diode rectifier with coupled reactors
PublicationThe article presents the principle of operation and selected results of simulation and laboratory tests of the 18-pulse rectifier system with coupled reactors and small series active power filter. The presented system makes it possible to reduce, especially in distribution supply networks, undesired higher current harmonics. The 18-pulse nature of operation of the rectifier is reached using a set of coupled three-phase network...
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Sliding burnishing technology of holes in hardened steel
PublicationNew technology with sliding burnishing of holes with cylindrical surface, made of hardened steel /60 HRC/, is presented in the paper.After burnishing operation on hole diameter 30 mm in satellite gear wheel the surface roughness parameter Ra=0,02-0,04 micrometers was obtained. The method and results of research as technological conclusion are presented.
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Singular Surface Curves in the Resultant Thermodynamics of Shells
PublicationWithin six-parameter shells theory we discuss the governing equations of shells with material or non-material singular curves. By singular curve we mean a surface curve where are discontinuities in some surface fields. As an example we consider shells with junctions and shells undergoing stress-induced phase transitions.
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Electroelastic biaxial compression of nanoplates considering piezoelectric effects
PublicationIn the present theoretical work, it is assumed that a piezoelectric nanoplate is connected to the voltage meter which voltages have resulted from deformation of the plate due to in-plane compressive forces whether they are critical buckling loads or arbitrary forces. In order to derive governing equations, a simplified four-variable shear deformation plate theory has been employed using Hamilton’s principle and Von-Kármán...
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Impedance Measurement and Selection of Electrochemical Equivalent Circuit of a Working PEM Fuel Cell Cathode
PublicationThe dynamic impedance analysis of direct methanolfuel cell (DMFC) cathode supplied with pure oxygen is pre-sented. Presented results were obtained during dynamic chang-es of the current density in working fuel cell. Investigation ofthe occurring processes at cathode was carried with dynamicelectrochemical impedance spectroscopy (DEIS). A discussionwas conducted based on the determined correlation parameterχ2. It was shown that...
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Signal Propagation in Electromagnetic Media Modelled by the Two-Sided Fractional Derivative
PublicationIn this paper, wave propagation is considered in a medium described by a fractional-order model, which is formulated with the use of the two-sided fractional derivative of Ortigueira and Machado. Although the relation of the derivative to causality is clearly specified in its definition, there is no obvious relation between causality of the derivative and causality of the transfer function induced by this derivative. Hence, causality...
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Metoda i algorytmy sterowania procesami miksowania dźwięku za pomocą gestów w oparciu o analizę obrazu wizyjnego
PublicationGłównym celem rozprawy było opracowanie systemu miksowania dźwięku za pomocą gestów rąk wykonywanych w powietrzu oraz zbadanie możliwości oferowanych przez takie rozwiązanie w porównaniu ze współczesną metodą miksowania sygnałów fonicznych, wykorzystującą środowisko komputera. Opracowany system rozpoznaje zarówno dynamiczne jak i statyczne gesty rąk. Rozpoznawanie gestów dynamicznych zrealizowano w oparciu o metody logiki rozmytej...
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ON AXIALLY SYMMETRIC SHELL PROBLEMS WITH REINFORCED JUNCTIONS
PublicationWithin the framework of the six-parameter nonlinear resultant shell theory we consider the axially symmetric deformations of a cylindrical shell linked to a circular plate. The reinforcement in the junction of the shell and the plate is taken into account. Within the theory the full kinematics is considered. Here we analyzed the compatibility conditions along the junction and their in uence on the deformations and stressed state.
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Mechanics of Micro- and Nano-Size Materials and Structures
PublicationNanotechnology knowledge is always looking to expand its boundaries to achieve the mostsignificant benefit to human life and meet the growing needs of today. In this case, we can refer tomicro- and nanosensors in micro/nano-electromechanical systems (MEMS/NEMS). These electricaldevices can detect minimal physical stimuli up to one nanometer in size. Today, micro/nano-sensordevices are widely used in the...
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Prevention of resonance oscillations in gear mechanisms using non-circular gears
PublicationOne of the main disadvantages of gear mechanisms is the occurrence of noise and vibrations. This study investigated the applicability of non-circular gears for preventing resonance oscillations in gear mechanisms. The influence of a small deviation of the gear centrodes from the nominal circles on kinematic and oscillatory characteristics was analysed. It was shown that a larger deviation results in a smaller resonance amplitude...
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Influence of dopants on structure of polycrystalline bismuth niobate
PublicationBismuth niobate (BiNbO4) has attracted attention as a low-fired ceramics with promising microwave application potential. BiNbO4 ceramics was fabricated by mixed oxide method and sintered at temperature T<1000˚C. As the sintering aids a small amount of CuO oxide was used. The crystalline structure of the ceramic samples was examined by X-ray diffraction method at room temperature. The Rietveld refinement method was used for analysis...
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Multiscale model for blood flow after a bileaflet artificial aortic valve implantation
PublicationCardiovascular diseases are the leading cause of mortality in the world, mainly due to atherosclerosis and its consequences. The article presents the numerical model of the blood flow through artificial aortic valve. The overset mesh approach was applied to simulate the valve leaflets motion and to realize the moving mesh, in the aortic arch and the main branches of cardiovascular system. To capture the cardiac system’s response...
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Diagnostic Analysis of Exhaust Gas with A Quick-Changing Temperature from a Marine Diesel Engine Part II / Two Factor Analysis
PublicationThe article presents a continuation of research carried out to determine the effect of input parameters (changes in engine structure parameters) on selected output parameters (diagnostic measures), based on quickly changing exhaust gas temperature. A method of determining the simultaneous influence of two input factors (the structure parameter and the engine load) on one output factor was presented, as well as an evaluation...
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Low-cost performance-driven modelling of compact microwave components with two-layer surrogates and gradient kriging
PublicationUtilization of electromagnetic (EM) simulation tools has become indispensable for reliable evaluation of microwave components. As the cost of an individual analysis may already be considerable, the computational overhead associated with EM-driven tasks that require massive simulations (e.g., optimization) may turn prohibitive. One of mitigation methods is the employment of equivalent network models. Yet, they are incapable of accounting...
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Two-Stage Identification of Locally Stationary Autoregressive Processes and its Application to the Parametric Spectrum Estimation
PublicationThe problem of identification of a nonstationary autoregressive process with unknown, and possibly time-varying, rate of parameter changes, is considered and solved using the parallel estimation approach. The proposed two-stage estimation scheme, which combines the local estimation approach with the basis function one, offers both quantitative and qualitative improvements compared with the currently used single-stage methods.
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Comment on "On accurate capacitance characterization of organic photovoltaic cells"
PublicationIn the 100th volume of Applied Physics Letters Carr and Chaudhary have presented a work on capacitance characterization of organic photovoltaic cells. The work concerns small signal measurements of various organic photovoltaic structures. The authors however limit their considerations to one part of small signal response, namely to capacitance measured either in parallel mode or in series mode. This attitude generally does not...
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Modelling of Geared Multi-Rotor System
PublicationIn the paper the method of modelling a speed-varying geared rotor system is presented. The proposed approach enables us to obtain an accurate low-order lumped parameter representation of the investigated system. The final model consists of reduced modal models of an undamped beam/torsional shaft system as well as a spatially lumped model of other linear and nonlinear phenomena including gear mesh interaction.
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Wpływ błędów parametrów modelu maszyny indukcyjnej na działanie rozszerzonego obserwatora prędkości
PublicationW artykule opisano metodę odtwarzania prędkości wirnika maszyny indukcyjnej przy wykorzystaniu rozszerzonego obserwatora prędkości. Zbadano wpływ błędów parametrów modelu maszyny indukcyjnej na właściwości dynamiczne obserwatora poprzez porównanie macierzy stanu obserwatora obarczonego oraz nieobarczonego błędami parametrów. Zbadany został także wpływ błędów parametrów na jakość odtwarzania zmiennych maszyny w stanie ustalonym.
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A highly-efficient technique for evaluating bond-orientational order parameters
PublicationWe propose a novel, highly-efficient approach for the evaluation of bond-orientational order parameters (BOPs). Our approach exploits the properties of spherical harmonics and Wigner 3jj-symbols to reduce the number of terms in the expressions for BOPs, and employs simultaneous interpolation of normalised associated Legendre polynomials and trigonometric functions to dramatically reduce the total number of arithmetic operations....
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Structure and paramagnetism in weakly correlated Y8Co5
PublicationWe report the basic physical properties of monoclinic Y8Co5 determined by means of magnetic susceptibility, electrical resistivity, and specific heat measurements. The crystal structure of Y8Co5 is monoclinic (P21/c) with lattice parameters a = 7.0582(6) Å, b = 7.2894(6) Å, c = 24.2234(19) Å, and β = 102.112(6)° as refined by using synchrotron powder x-ray diffraction data. The compound shows temperature independent paramagnetism...
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Rheology of Variable Viscosity‐Based Mixed Convective Inclined Magnetized Cross Nanofluid with Varying Thermal Conductivity
PublicationCross nanofluid possesses an extraordinary quality among the various fluidic models to explore the key characteristics of flowing fluid during very low and very high shear rates and its viscosity models depend upon shear rate. The current study establishes the numerical treatment regarding variable viscosity‐based mixed convective inclined magnetized Cross nanofluid with var‐ ying thermal conductivities over the moving permeable...
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Fracture Areas Quantitative Investigating of Bending-Torsion Fatigued Low-Alloy High-Strength Steel
PublicationIn this study, the impact of pseudo-random non-proportional bending-torsion fatigue loadings proportion on the fatigue life and the fracture surface topography was analyzed. Investigation was carried out for 24 specimens made of S355J2 steel with 11 different ratios of maximum stresses λ. For these cases, after the fatigue tests, the surface topography measurements were carried out using an optical profilometer, using the focus...
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Domination-Related Parameters in Rooted Product Graphs
PublicationAbstract A set S of vertices of a graph G is a dominating set in G if every vertex outside of S is adjacent to at least one vertex belonging to S. A domination parameter of G is related to those sets of vertices of a graph satisfying some domination property together with other conditions on the vertices of G. Here, we investigate several domination-related parameters in rooted product graphs.
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Quality of Analytical Results: Classifiying Errors and Estimating Measurement Uncertainty
PublicationThe most important parameter of each analytical result is its reliability. An analytical result is not a constant value; each result has two properties, error and uncertainty. The sources of both these parameters have to be known and their values determined (estimated). All analytical results are obtained by applying an appropriate measuring procedure. The need for reliable results requires application of reliable analytical procedures,...
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A New Method of Noncausal Identification of Time-varying Systems
PublicationThe paper shows that the problem of noncausal identification of a time-varying FIR (finite impulse response) sys- tem can be reformulated, and solved, as a problem of smoothing of the preestimated parameter trajectories. Characteristics of the smoothing filter should be chosen so as to provide the best trade- off between the bias and variance of the resulting estimates. It is shown that optimization of the smoothing operation can...
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Dimensionality-Reduced Antenna Modeling with Stochastically Established Constrained Domain
PublicationOver the recent years, surrogate modeling methods have become increasingly widespread in the design of contemporary antenna systems. On the one hand, it is associated with a growing awareness of numerical optimization, instrumental in achieving high-performance structures. On the other hand, considerable computational expenses incurred by massive full-wave electromagnetic (EM) analyses, routinely employed as a major design tool,...