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Wyniki wyszukiwania dla: COMPUTATIONAL METHODS
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Metodyka projektowania i eksploatacji dróg szynowych z wykorzystaniem mobilnych pomiarów satelitarnych
PublikacjaW pracy zostały przedstawione aplikacyjne możliwości metody mobilnych pomiarów satelitarnych w projektowaniu i eksploatacji dróg szynowych. Pokazano wizualizację położenia toru kolejowego, omówiono sposoby oceny odcinków prostych toru i odcinków położonych w łuku oraz tworzenie poligonu kierunków głównych trasy. Szczególną uwagę poświęcono opracowanej analitycznej metodzie projektowania, omawiając jej algorytmy obliczeniowe: projektowania...
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A low complexity double-talk detector based on the signal envelope
PublikacjaA new algorithm for double-talk detection, intended for use in the acoustic echo canceller for voice communication applications, is proposed. The communication system developed by the authors required the use of a double-talk detection algorithm with low complexity and good accuracy. The authors propose an approach to doubletalk detection based on the signal envelopes. For each of three signals: the far-end speech, the microphone...
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Checkpointing of Parallel MPI Applications using MPI One-sided API with Support for Byte-addressable Non-volatile RAM
PublikacjaThe increasing size of computational clusters results in an increasing probability of failures, which in turn requires application checkpointing in order to survive those failures. Traditional checkpointing requires data to be copied from application memory into persistent storage medium, which increases application execution time as it is usually done in a separate step. In this paper we propose to use emerging byte-addressable...
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Negative CO2 Emission Gas Power Plant As Technology for Utilization of Sewage Sludge, Production of Electrical Energy, and CO2 Capture - Case of Chamber Under Transpiration Cooling
PublikacjaThis work focuses on the concept developed in the nCO2PP project, which aims to demonstrate a technology that allows to achieve negative CO2 emissions through Carbon Capture and Storage (CCS) applied to sewage sludge. A feedstock is first gasified, then the resulting syngas is burned in a semi-closed oxy-fuel gas turbine with pure oxygen and water, using the advantages of oxy-combustion, to ease the capture of CO2 in the resulting...
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A Simplistic Downlink Channel Estimation Method for NB-IoT
PublikacjaThis paper presents a downlink channel estimation method intended for a Narrowband Internet of Things (NB-IoT) access link. Due to its low computational complexity, this method is well suited for energy-efficient IoT devices, still providing acceptable reception quality in terms of signal-to-noise (SNR) performance. This paper describes the physical layer of NB-IoT within the scope of channel estimation, and also reviews existing...
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Bio-mitigation of organic pollutants using horseradish peroxidase as a promising biocatalytic platform for environmental sustainability
PublikacjaA wide array of environmental pollutants is often generated and released into the ecosystem from industrial and human activities. Antibiotics, phenolic compounds, hydroquinone, industrial dyes, and Endocrine-Disrupting Chemicals (EDCs) are prevalent pollutants in water matrices. To promote environmental sustainability and minimize the impact of these pollutants, it is essential to eliminate such contaminants. Although there are...
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Reduced-cost surrogate modelling of compact microwave components by two-level kriging interpolation
PublikacjaFull-wave electromagnetic (EM) analysis is a versatile tool for evaluating the performance of high-frequency components. Its potential drawback is its high computational cost, inhibiting the execution of EM-driven tasks requiring massive simulations. The applicability of equivalent network models is limited owing to the topological complexity of compact microstrip components because of EM cross-coupling effects. Development of...
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Prediction of maximum tensile stress in plain-weave composite laminates with interacting holes via stacked machine learning algorithms: A comparative study
PublikacjaPlain weave composite is a long-lasting type of fabric composite that is stable enough when being handled. Open-hole composites have been widely used in industry, though they have weak structural performance and complex design processes. An extensive number of material/geometry parameters have been utilized for designing these composites, thereby an efficient computational tool is essential for that purpose. Different Machine Learning...
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Topological-numerical analysis of a two-dimensional discrete neuron model
PublikacjaWe conduct computer-assisted analysis of a two-dimensional model of a neuron introduced by Chialvo in 1995 [Chaos, Solitons Fractals 5, 461–479]. We apply the method of rigorous analysis of global dynamics based on a set-oriented topological approach, introduced by Arai et al. in 2009 [SIAM J. Appl. Dyn. Syst. 8, 757–789] and improved and expanded afterward. Additionally, we introduce a new algorithm to analyze the return times...
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Optimization of the Hardware Layer for IoT Systems using a Trust Region Method with Adaptive Forward Finite Differences
PublikacjaTrust-region (TR) algorithms represent a popular class of local optimization methods. Owing to straightforward setup and low computational cost, TR routines based on linear models determined using forward finite differences (FD) are often utilized for performance tuning of microwave and antenna components incorporated within the Internet of Things systems. Despite usefulness for design of complex structures, performance of TR methods...
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Low-Cost Yield-Driven Design of Antenna Structures Using Response-Variability Essential Directions and Parameter Space Reduction
PublikacjaQuantifying the effects of fabrication tolerances and uncertainties of other types is fundamental to improve antenna design immunity to limited accuracy of manufacturing procedures and technological spread of material parameters. This is of paramount importance especially for antenna design in the industrial context. Degradation of electrical and field properties due to geometry parameter deviations often manifests itself as, e.g.,...
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Low-Cost and Highly-Accurate Behavioral Modeling of Antenna Structures by Means of Knowledge-Based Domain-Constrained Deep Learning Surrogates
PublikacjaThe awareness and practical benefits of behavioral modeling methods have been steadily growing in the antenna engineering community over the last decade or so. Undoubtedly, the most important advantage thereof is a possibility of a dramatic reduction of computational expenses associated with computer-aided design procedures, especially those relying on full-wave electromagnetic (EM) simulations. In particular, the employment of...
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Synthesis and biological evaluation of fluorinated N-benzoyl and N-phenylacetoyl derivatives of 3-(4-aminophenyl)-coumarin-7-O-sulfamate as steroid sulfatase inhibitors
PublikacjaIn the present work, we report convenient methods for the synthesis of 3-(4-aminophenyl)-coumarin-7-O-sulfamate derivatives N-acylated with fluorinated analogues of benzoic or phenylacetic acid as steroid sulfatase (STS) inhibitors. The design of these potential STS inhibitors was supported by molecular modeling techniques. Additionally, computational docking methods were used to determine the binding modes of the synthesized inhibitors...
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THE PERFORMANCE OF SELECTED AB INITIO METHODS IN ESTIMATING ELECTRON BINDING ENERGIES OF SUPERHALOGEN ANIONS
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Modeling of Passive and Forced Convection Heat Transfer in Channels with Rib Turbulators
PublikacjaThe main goal of the research presented in this paper was the experimental and numerical analysis of heat enhancement and aerodynamic phenomena during air flow in a channel equipped with flow turbulators in the form of properly configured ribs. The use of ribs intensifies the heat transfer and at the same time increases not only the flow resistance but also the energy costs. Therefore, designing modern heat exchangers with optimal...
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Finding the Right Solvent: A Novel Screening Protocol for Identifying Environmentally Friendly and Cost-Effective Options for Benzenesulfonamide
PublikacjaThis study investigated the solubility of benzenesulfonamide (BSA) as a model compound using experimental and computational methods. New experimental solubility data were collected in the solvents DMSO, DMF, 4FM, and their binary mixtures with water. The predictive model was constructed based on the best-performing regression models trained on available experimental data, and their hyperparameters were optimized using a newly...
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Comparison of simplified sum-over-state expressions to calculate resonance Raman intensities including Franck-Condon and Herzberg-Teller effects
PublikacjaSum-over-state (SOS) expressions to simulate absorption spectroscopy and resonance Raman (RR) scattering including Franck-Condon (FC) and Herzberg-Teller (HT) effects are described. Starting from the general SOS method, several simplified SOS formulae are derived. In particular, within the so-called independent mode displaced harmonic oscillator model, it is shown that including the vibronic structure in the absorption and RR spectra...
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Model-Free Controller Tuning Based on DFT Processing: Application to Induction Motor Drives
PublikacjaIn this paper, we present a new approach based on discrete Fourier transform (DFT) analysis for controller tuning of the closed-loop system with unknown plant. The DFT analysis is used to process the closed-loop measurements collected online to derive the frequency response of an initial closed-loop system that does not provide a good performance. Based on the closed-loop frequency response data, we propose two methods for tuning PID...
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Finger Vein Presentation Attack Detection Method Using a Hybridized Gray-Level Co-Occurrence Matrix Feature with Light-Gradient Boosting Machine Model
PublikacjaPresentation Attack Detection (PAD) is crucial in biometric finger vein recognition. The susceptibility of these systems to forged finger vein images is a significant challenge. Existing approaches to mitigate presentation attacks have computational complexity limitations and limited data availability. This study proposed a novel method for identifying presentation attacks in finger vein biometric systems. We have used optimal...
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Non-Gaussian Resistance Fluctuations in Gold-Nanoparticle-Based Gas Sensors: An Appraisal of Different Evaluation Techniques
PublikacjaVolatile organic compounds, such as formaldehyde, can be used as biomarkers in human exhaled breath in order to non-invasively detect various diseases, and the same compounds are of much interest also in the context of environmental monitoring and protection. Here, we report on a recently-developed gas sensor, based on surface-functionalized gold nanoparticles, which is able to generate voltage noise with a distinctly non-Gaussian...
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Analiza przepływu oleju przez rowek smarowy wzdłużnego łożyska ślizgowego z wykorzystaniem komputerowej dynamiki płynów (CFD) = Analysis of the lubricant flow through the hydrodynamic thrust bearings groove with the use of computational fluid dynamic
PublikacjaSmarowanie zanurzeniowe jest tradycyjnym sposobem smarowania wzdłużnych łożysk ślizgowych. Jednak rozwiązanie to wykazuje umiarkowaną skuteczność w zapewnieniu optymalnie niskich temperatur w filmie smarowym a ponadto jest przyczyną strat mocy związanych z mieszaniem oleju w obudowie łożyska, co jest szczególnie widoczne w łożyskach szybkoobrotowych. Obecnie wymagania stawiane nowym konstrukcjom łożysk ślizgowych to zwiększanie...
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Construction of highly stable parallel two-step Runge-Kutta methods for delay differential equations
PublikacjaW pracy pokazano, że każda A-stabilna dwukrokowa metoda Rungego-Kutty dla równań różniczkowych zwyczajnych rzędu p1 i rzędu etapowego q=p1 może być uogólniona do P-stabilnej metody dla równań różniczkowych z opóźnieniem zbieżnej jednostajnie z rzędem p=p1.
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Global EM-Driven Optimization of Multi-Band Antennas Using Knowledge-Based Inverse Response-Feature Surrogates
PublikacjaElectromagnetic simulation tools have been playing an increasing role in the design of contemporary antenna structures. The employment of electromagnetic analysis ensures reliability of evaluating antenna characteristics but also incurs considerable computational expenses whenever massive simulations are involved (e.g., parametric optimization, uncertainty quantification). This high cost is the most serious bottleneck of simulation-driven...
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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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Improved-Efficacy EM-Driven Optimization of Antenna Structures Using Adaptive Design Specifications and Variable-Resolution Models
PublikacjaOptimization-driven parameter tuning is an essential step in the design of antenna systems. Although in many cases it is still conducted through parametric studies, rigorous numerical methods become a necessity if truly optimum designs are sought for, and the problem intricacies (number of variables, multiple goals, constraints) make the interactive approaches insufficient. The two practical considerations of electromagnetic (EM)-driven...
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Low-cost performance-driven modelling of compact microwave components with two-layer surrogates and gradient kriging
PublikacjaUtilization 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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Modelling of FloodWave Propagation with Wet-dry Front by One-dimensional Diffusive Wave Equation
PublikacjaA full dynamic model in the form of the shallow water equations (SWE) is often useful for reproducing the unsteady flow in open channels, as well as over a floodplain. However, most of the numerical algorithms applied to the solution of the SWE fail when flood wave propagation over an initially dry area is simulated. The main problems are related to the very small or negative values of water depths occurring in the vicinity of...
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The retrofitting of ships by applying retractable bow hydrofoils: a case study
PublikacjaIncreasing environmental requirements and a relatively long ship life of 30 years mean more attention is needed to retrofit existing ships. One possibility is using hydrofoils to reduce the ship’s resistance and improve comfort and safety in rough sea conditions. This study investigates the influence of retractable bow hydrofoils on the seakeeping performance and operational conditions of a selected case study vessel (V-shaped...
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A review on application of artificial neural network (ANN) for performance and emission characteristics of diesel engine fueled with biodiesel-based fuels
PublikacjaBiodiesel has been emerging as a potential and promising biofuel for the strategy of reducing toxic emissions and improving engine performance. Computational methods aiming to offer numerical solutions were inevitable as a study methodology which was sometimes considered the only practical method. Artificial neural networks (ANN) were data-processing systems, which were used to tackle many issues in engineering and science, especially...
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Structural, functional, and stability change predictions in human telomerase upon specific point mutations,
PublikacjaOverexpression of telomerase is one of the hallmarks of human cancer. Telomerase is important for maintaining the integrity of the ends of chromosomes, which are called telomeres. A growing number of human disease syndromes are associated with organ failure caused by mutations in telomerase (hTERT or hTR). Mutations in telomerase lead to telomere shortening by decreasing the stability of the telomerase complex, reducing its accumulation,...
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Towards sugar-derived polyamides as environmentally friendly materials
PublikacjaAs part of our ongoing study investigating isohexide-based polyamides, we have synthesized isosorbide(bis(propan-1-amine)) (DAPIS) and studied its reactivity in the polymerization towards fully biobased polyamides. Polycondensation of nylon salts with various contributions of DAPIS afforded a family of homo- and copolyamides, which were characterized using complementary spectroscopic techniques. The chemical structure of the materials...
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Adaptacyjny system oświetlania dróg oraz inteligentnych miast
PublikacjaPrzedmiotem rozprawy jest zbadanie praktycznej możliwości wykrywania w czasie rzeczywistym anomalii w systemie oświetlenia drogowego w oparciu o analizę danych ze inteligentnych liczników energii. Zastosowanie inteligentnych liczników energii elektrycznej (Smart Meter) w systemach oświetlenia drogowego stwarza nowe możliwości w zakresie automatycznej diagnostyki takich niepożądanych zjawisk jak awarie lamp, odstępstwa od harmonogramu...
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A. Computational analysis by molecular docking of thirty alkaloid compounds from medicinal plants as potent inhibitors of SARS-CoV-2 main protease(2020). Focused on analysis of the Medicinal plants that have potential therapeutic ability against COVID-19.
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Reduced-Cost Microwave Design Closure by Multi-Resolution EM Simulations and Knowledge-Based Model Management
PublikacjaParameter adjustment through numerical optimization has become a commonplace of contemporary microwave engineering. Although circuit theory methods are ubiquitous in the development of microwave components, the initial designs obtained with such tools have to be further tuned to improve the system performance. This is particularly pertinent to miniaturized structures, where the cross-coupling effects cannot be adequately accounted...
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Low-Cost Quasi-Global Optimization of Expensive Electromagnetic Simulation Models by Inverse Surrogates and Response Features
PublikacjaConceptual design of contemporary high-frequency structures is typically followed by a careful tuning of their parameters, predominantly the geometry ones. The process aims at improving the relevant performance figures, and may be quite expensive. The reason is that conventional design methods, e.g., based on analytical or equivalent network models, often only yield rough initial designs. This is especially the case for miniaturized...
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Expedited Simulation-Driven Multi-Objective Design Optimization of Quasi-Isotropic Dielectric Resonator Antenna
PublikacjaMajority of practical engineering design problems require simultaneous handling of several criteria. Although many of design tasks can be turned into single-objective problems using sufficient formulations, in some situations, acquiring comprehensive knowledge about possible trade-offs between conflicting objectives may be necessary. This calls for multi-objective optimization that aims at identifying a set of alternative, Pareto-optimal...
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How do sterols determine the antufungal activitiy of amphotericin B? Free energy of binding between the drug and its membrane targets.
PublikacjaAmphotericin B (AmB) is a well-known polyene antibiotic used to treat systemic fungal infections. It is commonly accepted that the presence of sterols in the membrane is essential for the AmB biological activity, that is, for the formation of transmembrane ion channels. The selective toxicity of AmB for fungal cells is attributed to the fact that it is more potent against fungal cell membranes containing ergosterol than against...
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Fast EM-Driven Nature-Inspired Optimization of Antenna Input Characteristics Using Response Features and Variable-Resolution Simulation Models
PublikacjaUtilization of optimization technique is a must in the design of contemporary antenna systems. Often, global search methods are necessary, which are associated with high computational costs when conducted at the level of full-wave electromagnetic (EM) models. In this study, we introduce an innovative method for globally optimizing reflection responses of multi-band antennas. Our approach uses surrogates constructed based on response...
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Variable-fidelity response feature surrogates for accelerated statistical analysis and yield estimation of compact microwave components
PublikacjaAccounting for manufacturing tolerances is an essential part of a reliable microwave design process. Yet, quantification of geometry and/or material parameter uncertainties is challenging at the level of full-wave electromagnetic (EM) simulation models. This is due to inherently high cost of EM analysis and massive simulations necessary to conduct the statistical analysis. Here, a low-cost and accurate yield estimation procedure...
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Discovering Rule-Based Learning Systems for the Purpose of Music Analysis
PublikacjaMusic analysis and processing aims at understanding information retrieved from music (Music Information Retrieval). For the purpose of music data mining, machine learning (ML) methods or statistical approach are employed. Their primary task is recognition of musical instrument sounds, music genre or emotion contained in music, identification of audio, assessment of audio content, etc. In terms of computational approach, music databases...
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Numerically Efficient Miniaturization-Oriented Optimization of an Ultra-Wideband Spline-Parameterized Antenna
PublikacjaDesign of ultra-wideband radiators for modern handheld applications is a challenging task that involves not only selection of an appropriate topology, but also its tuning oriented towards balancing the electrical performance and size. In this work, a low-cost design of a compact, broadband, spline-parameterized monopole antenna has been considered. The framework used for the structure design implements trust-region-based methods,...
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Fast EM-Driven Parameter Tuning of Microwave Circuits with Sparse Sensitivity Updates via Principal Directions
PublikacjaNumerical optimization has become more important than ever in the design of microwave components and systems, primarily as a consequence of increasing performance demands and growing complexity of the circuits. As the parameter tuning is more and more often executed using full-wave electromagnetic (EM) models, the CPU cost of the overall process tends to be excessive even for local optimization. Some ways of alleviating these issues...
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Accelerated multi-objective design optimization of antennas by surrogate modeling and domain segmentation
PublikacjaMulti-objective optimization yields indispensable information about the best possible design trade-offs of an antenna structure, yet it is challenging if full-wave electromagnetic (EM) analysis is utilized for performance evaluation. The latter is a necessity for majority of contemporary antennas as it is the only way of achieving acceptable modeling accuracy. In this paper, a procedure for accelerated multi-objective design of...
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Performance-Driven Surrogate Modeling of High-Frequency Structures
PublikacjaThe development of modern high-frequency structures, including microwave and antenna components, heavily relies on full-wave electromagnetic (EM) simulation models. Notwithstanding, EM-driven design entails considerable computational expenses. This is especially troublesome when solving tasks that require massive EM analyzes, parametric optimization and uncertainty quantification be-ing representative examples. The employment of...
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Rapid Design Centering of Multi-Band Antennas Using Knowledge-Based Inverse Models and Response Features
PublikacjaAccounting for manufacturing tolerances as well as uncertainties concerning operating conditions and material parameters is one of the important yet often neglected aspects of antenna development. Appropriate quantification of uncertainties allows for estimating the fabrication yield but also to carry out robust design (e.g., yield maximization). For reliability reasons, statistical analysis should be executed at the accuracy level...
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Explicit Size-Reduction-Oriented Design of a Compact Microstrip Rat-Race Coupler Using Surrogate-Based Optimization Methods
PublikacjaIn this paper, an explicit size reduction of a compact rat-race coupler implemented in a microstrip technology is considered. The coupler circuit features a simple topology with a densely arranged layout that exploits a combination of high- and low-impedance transmission line sections. All relevant dimensions of the structure are simultaneously optimized in order to explicitly reduce the coupler size while maintaining equal power...
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Inverse surrogate modeling for low-cost geometry scaling of microwave and antenna structures
PublikacjaPurpose–The purpose of this paper is to investigate strategies for expedited dimension scaling ofelectromagnetic (EM)-simulated microwave and antenna structures, exploiting the concept of variable-fidelity inverse surrogate modeling.Design/methodology/approach–A fast inverse surrogate modeling technique is described fordimension scaling of microwave and antenna structures. The model is established using referencedesigns obtained...
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Efficient Simulation-Based Global Antenna Optimization Using Characteristic Point Method and Nature-Inspired Metaheuristics
PublikacjaAntenna structures are designed nowadays to fulfil rigorous demands, including multi-band operation, where the center frequencies need to be precisely allocated at the assumed targets while improving other features, such as impedance matching. Achieving this requires simultaneous optimization of antenna geometry parameters. When considering multimodal problems or if a reasonable initial design is not at hand, one needs to rely...
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Fast Design Closure of Compact Microwave Components by Means of Feature-Based Metamodels
PublikacjaPrecise tuning of geometry parameters is an important consideration in the design of modern microwave passive components. It is mandatory due to limitations of theoretical design methods unable to quantify certain phenomena that are important for the operation and performance of the devices (e.g., strong cross-coupling effects in miniaturized layouts). Consequently, the initial designs obtained using analytical or equivalent network...
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User-assisted methodology targeted for building structure interpretable QSPR models for boosting CO2 capture with ionic liquids
PublikacjaTask-specific ionic liquid (IL) is an emerging class of compounds that may be environmentally friendly. Properly selected, these compounds may be green alternative to amine solutions and can replace them in post-combustion carbon dioxide (CO2) capture processes on an industrial scale. However, owing to the vast diversity of ions and their possible combinations, laboratory research is time consuming and expensive. Therefore, computational...