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Wyniki wyszukiwania dla: COMPUTATIONAL TECHNIQUES
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Computational techniques for efficient conformational sampling of proteins
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Computational Techniques Application in Environmental Exposure Assessment
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Computational Techniques in Numerical Simulations of Arc and Laser Welding Processes
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IEEE Journal on Multiscale and Multiphysics Computational Techniques
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International Journal of Computational Intelligence Techniques
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Computational Techniques and Applications Conference
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Aerodynamic shape optimization by variable-fidelity computational fluid dynamics models: a review of recent progress
PublikacjaA brief review of some recent variable-fidelity aerodynamic shape optimization methods is presented.We discuss three techniques that—by exploiting information embedded in low-fidelity computationalfluid dynamics (CFD) models—are able to yield a satisfactory design at a low computational cost, usu-ally corresponding to a few evaluations of the original, high-fidelity CFD model to be optimized. Thespecific techniques considered here...
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Macromodeling techniques for accelerated finite element analysis
PublikacjaThis paper deals with the Model Order Reduction applied locally in the Finite Element Method (FEM) analysis. Due to the reduction process, blocks of FEM system matrices associated with selected subregions of the computational domain are projected onto the subspaces spanned by the vectors of suited orthogonal projection basis. In effect, large and sparse FEM matrices are replaced with small and dense ones, called macromodels. This...
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Comparative analysis of various transformation techniques for voiceless consonants modeling
PublikacjaIn this paper, a comparison of various transformation techniques, namely Discrete Fourier Transform (DFT), Discrete Cosine Transform (DCT) and Discrete Walsh Hadamard Transform (DWHT) are performed in the context of their application to voiceless consonant modeling. Speech features based on these transformation techniques are extracted. These features are mean and derivative values of cepstrum coefficients, derived from each transformation....
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Ahmer Bin Hafeez
OsobyI have experience in Computational Biology, particularly bioinformatics, homology modeling, phylogenetics, structural biology, and drug discovery. Furthermore, I have hands-on experience with Bioinformatics software. Currently, my interest lies in translatable omics studies and drug discovery against novel protein targets involved in cancer and infectious diseases and Host-Pathogen PPIs. My aim involves the use of computational...
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Molecular dynamics and verisimilitude - to what extent can one trust a computational simulation?
PublikacjaFor the last several tens of years, computer simulations have become of undeniable importance. Molecular Dynamics (MD) simulation techniques are used to examine the phenomena which occur at the level that cannot be observed directly. Thus, they can be successfully exploited in many different scientific fields such as: materials science, applied mathematics and theoretical physics, biochemistry, biophysics or drug design. Despite...
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Computational methods for calculation of binding free energy for ligand-receptor complexes
PublikacjaAccurate description of the molecular complexes energetic influence is required for understanding of many biological functions carried out by proteins. Therefore, estimation of binding free energy for ligand-receptor complexes is of highest importance for structure-based ligand design and drug discovery approaches.Experimental methods of determination of difference in Gibbs'es free energy have many limitations. Thus, computational...
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Fast Design Optimization of Waveguide Filters Applying Shape Deformation Techniques
PublikacjaThis paper presents an efficient design of microwave filters by means of geometry optimization using shape deformation techniques. This design procedure allows for modelling complex 3D geometries which can be fabricated by additive manufacturing (AM). Shape deforming operations are based on radial basis function (RBF) interpolation and are integrated into an electromagnetic field simulator based on the 3D finiteelement method (FEM)....
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Towards an experience based collective computational intelligence for manufacturing
PublikacjaKnowledge based support can play a vital role not only in the new fast emerging information and communication technology based industry, but also in traditional manufacturing. In this regard, several domain specific research endeavors have taken place in the past with limited success. Thus, there is a need to develop a flexible domain independent mechanism to capture, store, reuse, and share manufacturing knowledge. Consequently,...
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Domain Reduction in Hybrid Technique for Electromagnetic Wave Scattering Problems
PublikacjaThis paper proposes a combination of the field matching technique, finite element method and generalized impedance matrix, the main idea of which is to reduce the computational domain by surrounding a scatterer with the smallest convex shape and applying the field matching technique. This approach can be applied for arbitrary shaped scatterers and types of materials and allows for the reduction of the computational domain. In order...
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Electromagnetic Simulation with 3D FEM for Design Automation in 5G Era
PublikacjaElectromagnetic simulation and electronic design automation (EDA) play an important role in the design of 5G antennas and radio chips. The simulation challenges include electromagnetic effects and long simulation time and this paper focuses on simulation software based on finite-element method (FEM). The state-of-the-art EDA software using novel computational techniques based on FEM can not only accelerate numerical analysis, but...
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Expedited Variable-Resolution Surrogate Modeling of Miniaturized Microwave Passives in Confined Domains
PublikacjaDesign of miniaturized microwave components is largely based on computational models, primarily, full-wave electromagnetic (EM) simulations. EM analysis is capable of giving an accurate account for cross-coupling effects, substrate and radiation losses, or interactions with environmental components (e.g., connectors). Unfortunately, direct execution of EM-based design tasks such as parametric optimization or uncertainty quantification,...
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Low-cost multi-objective optimization and experimental validation of UWB MIMO antenna
PublikacjaPurpose–The purpose of this paper is to validate methodologies for expedited multi-objective designoptimization of complex antenna structures both numerically and experimentally.Design/methodology/approach–The task of identifying the best possible trade-offs between theantenna size and its electrical performance is formulated as multi-objective optimization problem.Algorithmic frameworks are described for finding Pareto-optimal...
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Kazi Amirul Hossain
OsobyI am a PhD graduate from Gdańsk University of Technology and currently a postdoctoral researcher at IRB Barcelona (Prof. Modesto Orozco lab). My academic focus is on computational biophysics, particularly Molecular Dynamics (MD) and statistical mechanics. I also have expertise in molecular modeling techniques like Molecular Docking, Homology Modeling, and QSAR. I hold an M.S. (Pharm) from NIPER, Kolkata, where I was awarded the...
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Scalability of surrogate-assisted multi-objective optimization of antenna structures exploiting variable-fidelity electromagnetic simulation models
PublikacjaMulti-objective optimization of antenna structures is a challenging task due to high-computational cost of evaluating the design objectives as well as large number of adjustable parameters. Design speedup can be achieved by means of surrogate-based optimization techniques. In particular, a combination of variable-fidelity electromagnetic (EM) simulations, design space reduction techniques, response surface approximation (RSA) models,...
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Introduction to Numerical Simulation
Kursy OnlineCourse description: This interdisciplinary course provides an introduction to computational techniques for the simulation of a broad range of engineering and physical systems. Concepts and methods discussed are widely illustrated by applications drawn from electrical, mechanical, and chemical engineering. Topics include: mathematical formulations of simulation problems; sparse direct and iterative linear system solution techniques,...
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Medical Image Segmentation Using Deep Semantic-based Methods: A Review of Techniques, Applications and Emerging Trends
PublikacjaSemantic-based segmentation (Semseg) methods play an essential part in medical imaging analysis to improve the diagnostic process. In Semseg technique, every pixel of an image is classified into an instance, where each class is corresponded by an instance. In particular, the semantic segmentation can be used by many medical experts in the domain of radiology, ophthalmologists, dermatologist, and image-guided radiotherapy. The authors...
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High frequency dynamics of an isotropic Timoshenko periodic beam by the use of the Time-domain Spectral Finite Element Method
PublikacjaIn this work results of numerical simulations and experimental measurements related to the high frequency dynamics of an aluminium Timoshenko periodic beam are presented. It was assumed by the authors that the source of beam structural periodicity comes from periodical alterations to its geometry due to the presence of appropriately arranged drill-holes. As a consequence of these alterations dynamic characteristics of the beam...
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Prioritising national healthcare service issues from free text feedback – A computational text analysis & predictive modelling approach
PublikacjaPatient experience surveys have become a key source of evidence for supporting decision-making and continuous quality improvement within healthcare services. To harness free-text feedback collected as part of these surveys for additional insights, text analytics methods are increasingly employed when the data collected is not amenable to traditional qualitative analysis due to volume. However, while text analytics techniques offer...
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Multi-Objective Design Optimization of Compact Quasi-Isotropic Dielectric Resonator Antenna
PublikacjaMulti-objective optimization of a quasi-isotropic dielectric resonator antenna (DRA) is presented. Utilization of variable-fidelity electromagnetic (EM) DRA models, response surface approximations, and response correction techniques, allows us to obtain—at a low computational cost—a set of alternative antenna designs representing the best possible trade-offs between three conflicting objectives: antenna size, its reflection response,...
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Fast multi-objective design optimization of microwave and antenna structures using data-driven surrogates and domain segmentation
PublikacjaPurpose Strategies and algorithms for expedited design optimization of microwave and antenna structures in multi-objective setup are investigated. Design/methodology/approach Formulation of the multi-objective design problem oriented towards execution of the population-based metaheuristic algorithm within the segmented search space is investigated. Described algorithmic framework exploit variable fidelity modeling, physics- and...
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Increased Certification of Semi-device Independent Random Numbers using Many Inputs and More Postprocessing
PublikacjaQuantum communication with systems of dimension larger than two provides advantages in information processing tasks. Examples include higher rates of key distribution and random number generation. The main disadvantage of using such multi-dimensional quantum systems is the increased complexity of the experimental setup. Here, we analyze a not-so-obvious problem: the relation between randomness certification and computational requirements...
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A study on signal processing methods applied to hearing aids
PublikacjaThis paper presents a short survey on current technology available in hearing aids with a focus on digital signal processing techniques used. First, factors influencing the hearing aid effectiveness are introduced. Then, examples of the present DSP methods and strategies are provided. Also, a description of current limitations of hearing aids and future trends of development are shown. Finally, the notion of computational auditory...
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Variable-fidelity CFD models and co-Kriging for expedited multi-objective aerodynamic design optimization
PublikacjaPurpose – Strategies for accelerated multi-objective optimization of aerodynamic surfaces are investigated, including the possibility of exploiting surrogate modeling techniques for computational fluid dynamic (CFD)-driven design speedup of such surfaces. The purpose of this paper is to reduce the overall optimization time. Design/methodology/approach – An algorithmic framework is described that is composed of: a search space reduction,...
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Magnetic anisotropy and structural flexibility in the f ield-induced single ion magnets [Co{(OPPh2) (EPPh2)N}2], E = S, Se, explored by experimental and computational methods
PublikacjaDuring the last few years, a large number of mononuclear Co(II) complexes of various coordination geometries have been explored as potential single ion magnets (SIMs). In the work presented herein, the Co(II) S = 3/2 tetrahedral [Co{(OPPh2)(EPPh2)N}2], E = S, Se, complexes (abbreviated as CoO2E2), bearing chalcogenated mixed donor-atom imidodiphosphinato ligands, were studied by both experimental and computational techniques. Specifically,...
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Predicting seismic response of SMRFs founded on different soil types using machine learning techniques
PublikacjaPredicting the Maximum Interstory Drift Ratio (M-IDR) of Steel Moment-Resisting Frames (SMRFs) is a useful tool for designers to approximately evaluate the vulnerability of SMRFs. This study aims to explore supervised Machine Learning (ML) algorithms to build a surrogate prediction model for SMRFs to reduce the need for complex modeling. For this purpose, twenty well-known ML algorithms implemented in Python software are trained...
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Expedited EM-Driven Design of Miniaturized Microwave Hybrid Couplers Using Surrogate-Based Optimization
PublikacjaMiniaturization of microwave hybrid couplers is important for contemporary wireless communication engineering. Using standard computer-aided design methods for development of compact structures is extremely challenging due to a general lack of computationally efficient and accurate simulation models. Poor accuracy of available equivalent circuits results from neglecting parasitic cross-couplings that greatly affect the performance...
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Simulation-driven design of compact ultra-wideband antenna structures
PublikacjaPurpose–The purpose of this paper is to investigate strategies and algorithms for expedited designoptimization and explicit size reduction of compact ultra-wideband (UWB) antennas.Design/methodology/approach–Formulation of the compact antenna design problem aiming atexplicit size reduction while maintaining acceptable electrical performance is presented. Algorithmicframeworks are described suitable for handling various design situations...
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Generating actionable evidence from free-text feedback to improve maternity and acute hospital experiences: A computational text analytics & predictive modelling approach
PublikacjaBackground Patient experience surveys are a key source of evidence for supporting decision-making and quality improvement in healthcare services. These surveys contain two main types of questions: closed and open-ended, asking about patients’ care experiences. Apart from the knowledge obtained from analysing closed-ended questions, invaluable insights can be gleaned from free-text data. Advanced analytics techniques are increasingly...
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Rapid design optimization of antennas using variable-fidelity EM models and adjoint sensitivities
PublikacjaPurpose – Development of techniques for expedited design optimization of complex and numerically expensive electromagnetic (EM) simulation models of antenna structures validated both numerically and experimentally. The paper aims to discuss these issues. Design/methodology/approach – The optimization task is performed using a technique that combines gradient search with adjoint sensitivities, trust region framework, as well as...
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Dimensionality-Reduced Antenna Modeling with Stochastically Established Constrained Domain
PublikacjaOver 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,...
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Techniki zwiększania efektywności metody elementów skończonych poprzez redukcję dziedziny obliczeniowej z wykorzystaniem własności geometrii struktur
PublikacjaWspółczesna elektronika ze względu na swój szybki rozwój wymaga od nas efektywnego modelowania zjawisk polowych. Celem rozprawy jest zwiększanie efektywności metody elementów skończonych poprzez redukcję dziedziny obliczeniowej z wykorzystaniem własności geometrii struktur oraz jej hybrydyzację z użyciem technik analitycznych. Rozprawa zawiera przegląd stanu wiedzy na temat dostępnych obecnie technik modelowania jak również opis...
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Multi-Fidelity Local Surrogate Model for Computationally Efficient Microwave Component Design Optimization
PublikacjaIn order to minimize the number of evaluations of high-fidelity (“fine”) model in the optimization process, to increase the optimization speed, and to improve optimal solution accuracy, a robust and computational-efficient multi-fidelity local surrogate-model optimization method is proposed. Based on the principle of response surface approximation, the proposed method exploits the multi-fidelity coarse models and polynomial interpolation...
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Variable Resolution Machine Learning Optimization of Antennas Using Global Sensitivity Analysis
PublikacjaThe significance of rigorous optimization techniques in antenna engineering has grown significantly in recent years. For many design tasks, parameter tuning must be conducted globally, presenting a challenge due to associated computational costs. The popular bio-inspired routines often necessitate thousands of merit function calls to converge, generating prohibitive expenses whenever the design process relies on electromagnetic...
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Antenna Optimization Using Machine Learning with Reduced-Dimensionality Surrogates
PublikacjaIn modern times, antenna design has become more demanding than ever. The escalating requirements for performance and functionality drive the development of intricately structured antennas, where parameters must be meticulously adjusted to achieve peak performance. Often, global adjustments to geometry are necessary for optimal results. However, direct manipulation of antenna responses evaluated with full-wave electromagnetic (EM)...
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Variable-fidelity shape optimization of dual-rotor wind turbines
PublikacjaPurpose 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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Size Reduction of Microwave Couplers by EM-Driven Optimization
PublikacjaThis work addresses simulation-driven design optimization of compact microwave couplers that explicitly aims at circuit footprint area reduction. The penalty function approach allows us to minimize the area of the circuit while ensuring a proper power division between the output ports and providing a sufficient bandwidth with respect to return loss and isolation around the operating frequency. Computational cost of the optimization...
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Step on It Bringing Fullwave Finite-Element Microwave Filter Design up to Speed
PublikacjaThere are many steps in the design of a microwave filter: mathematically describing the filter characteristics, representing the circuit as a network of lumped elements or as a coupling matrix, implementing the distributed elements, finding the initial dimensions of the physical structure, and carrying out numerical tuning using electromagnetic (EM) simulators. The whole process is painstaking and time-consuming, and it requires...
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Central-force decomposition of spline-based modified embedded atom method potential
PublikacjaCentral-force decompositions are fundamental to the calculation of stress fields in atomic systems by means of Hardy stress. We derive expressions for a central-force decomposition of the spline-based modified embedded atom method (s-MEAM) potential. The expressions are subsequently simplified to a form that can be readily used in molecular-dynamics simulations, enabling the calculation of the spatial distribution of stress in...
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Efficient Fabry-Perot Open Resonator Analysis by the use of a Scattering Matrix Method
PublikacjaIn this paper a comparative study of the computational efficiency of two modeling methods applied to the analysis of the plano- and double-concave Fabry-Perot open resonators is presented. In both numerical approaches, a scattering matrix method was applied, which allows splitting the analysis of the resonator into several sections, including the one with a spherical mirror, which requires the largest computing resources. Two modeling...
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Design centering of compact microwave components using response features and trust regions
PublikacjaFabrication tolerances, as well as uncertainties of other kinds, e.g., concerning material parameters or operating conditions, are detrimental to the performance of microwave circuits. Mitigating their impact requires accounting for possible parameter deviations already at the design stage. This involves optimization of appropriately defined statistical figures of merit such as yield. Alt-hough important, robust (or tolerance-aware)...
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Quality Evaluation of Novel DTD Algorithm Based on Audio Watermarking
PublikacjaEcho cancellers typically employ a doubletalk detection (DTD) algorithm in order to keep the adaptive filter from diverging in the presence of near-end speech signal or other disruptive sounds in the microphone signal. A novel doubletalk detection algorithm based on techniques similar to those used for audio signal watermarking was introduced by the authors. The application of the described DTD algorithm within acoustic echo cancellation...
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Expedited design of microstrip antenna subarrays using surrogate-based optimization
PublikacjaComputationally efficient simulation-driven design of microstrip antenna subarrays is presented. The proposed design approach aims at simultaneous adjustment of all relevant geometry parameters of the subarray, which allows us to take into account the effect of the feeding network on the subarray radiation pattern (in particular, the side lobe level, SLL). In order to handle a large number of variables involved in the design process,...
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Recurrence scheme for FDTD-compatible discrete Green's function derived based on properties of Gauss hypergeometric function
PublikacjaIn this paper, the formulation of one-dimensional FDTD (Finite-difference time-domain)-compatible discrete Green's function (DGF) is derived based on the Gauss hypergeometric function (GHF). The properties of GHF make it possible to derive the recurrence scheme only in the time domain for the DGF generation. Furthermore, this recurrence scheme is valid for any stable time-step size and can be implemented using standard numerical...
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State of the art and prospects of methods for determination of lipophilicity of chemical compounds
PublikacjaLipophilicity of the compounds is useful to (i) explain their distribution in biological systems, which is different in plant and in animal organisms, (ii) predict the possible pathways of pollutant transport in the environment, and (iii) support drug discovery process and select optimal composition in terms of bioactivity and bioavailability. The lipophilic properties can be determined by two main approaches, experimental, which...