Search results for: EQUIVARIANT GRADIENT MAP
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TINKTEP: A fully self-consistent, mutually polarizable QM/MM approach based on the AMOEBA force field
PublicationWe present a novel quantum mechanical/molecular mechanics (QM/MM) approach in which a quantum subsystem is coupled to a classical subsystem described by the AMOEBA polarizable force field. Our approach permits mutual polarization between the QM and MM subsystems, effected through multipolar electrostatics. Self-consistency is achieved for both the QM and MM subsystems through a total energy minimization scheme. We provide an expression...
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Optimization of the distance between the vertical plates in the convective air heat exchanger
PublicationThis paper examines the influence of the distance between vertical plates on the intensity of free convective heat transfer along with the optimization of this distance. Experimental tests were carried out for one model channel of such an heat exchanger with widths , 0.085 and 0.18 m. This channel, open at the top and sides, was formed by two isothermal symmetrically heated parallel vertical plates of dimensions m and m. The influence...
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Design and Optimization of Metamaterial-Based Dual-Band 28/38 GHz 5G MIMO Antenna with Modified Ground for Isolation and Bandwidth Improvement
PublicationThis letter presents a high-isolation dual-band multiple-input multiple-output (MIMO) antenna based on the ground plane modification and optimized metamaterials (MMs) for 5G millimeter-wave applications. The antenna is a monopole providing a dual-band response at 5G 28/38 bands with a small physical size (4.8 × 2.9 × 0.762 mm3, excluding the feeding line). The MIMO consists of two symmetric radiating elements arranged adjacently...
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Rapid optimization of compact microwave passives using kriging surrogates and iterative correction
PublicationDesign of contemporary microwave components is—in a large part—based on full-wave electromagnetic (EM) simulation tools. The primary reasons for this include reliability and versatility of EM analysis. In fact, for many microwave structures, notably compact components, EM-driven parameter tuning is virtually imperative because traditional models (analytical or network equivalents) are unable to account for the cross-coupling effects,...
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Surrogate-Assisted Design of Checkerboard Metasurface for Broadband Radar Cross-Section Reduction
PublicationMetasurfaces have been extensively exploited in stealth applications to reduce radar cross section (RCS). They rely on the manipulation of backward scattering of electromagnetic (EM) waves into various oblique angles. However, arbitrary control of the scattering properties poses a significant challenge as a design task. Yet it is a principal requirement for making RCS reduction possible. This article introduces a surrogate-based...
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Expedited Trust-Region-Based Design Closure of Antennas by Variable-Resolution EM Simulations
PublicationThe observed growth in the complexity of modern antenna topologies fostered a widespread employment of numerical optimization methods as the primary tools for final adjustment of the system parameters. This is mainly caused by insufficiency of traditional design closure approaches, largely based on parameter sweeping. Reliable evaluation of complex antenna structures requires full-wave electromagnetic (EM) analysis. Yet, EM-driven...
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Magnetic Signature Description of Ellipsoid-Shape Vessel Using 3D Multi-Dipole Model Fitted on Cardinal Directions
PublicationThe article presents a continuation of the research on the 3D multi-dipole model applied to the reproduction of magnetic signatures of ferromagnetic objects. The model structure has been modified to improve its flexibility - model parameters determined by optimization can now be located in the cuboid contour representing the object's hull. To stiffen the model, the training dataset was expanded to data collected from all four cardinal...
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Torsional elasticity and energetics of F1-ATPase
PublicationFoF1-ATPase is a rotary motor protein synthesizing ATP from ADP driven by a cross-membrane proton gradient. The proton flow through the membrane-embedded Fo generates the rotary torque that drives the rotation of the asymmetric shaft of F1. Mechanical energy of the rotating shaft is used by the F1 catalytic subunit to synthesize ATP. It was suggested that elastic power transmission with transient storage of energy in some compliant...
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Publicly available lecture webcasts - e-learning or promotion tool? case study
PublicationThis paper aims to show how universities interact with Internet users by webcasting selected courses. Paper has exploratory case-study character, presenting example of Berkeley Webcast initiative of University of California, Berkeley, webcasting undergraduate courses and on-campus events. On the base of short introduction to webcasting usage as an e-learning and promotional tool, the analysis of 3 purposely chosen different courses...
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The impact of global value chains on wages, employment, and productivity: a survey of theoretical approaches
PublicationThis study presents a systematic literature review to provide a collection of theories explaining the impact of global value chains (GVCs) on labour market outcomes. Due to the complex nature of GVCs and the interconnectedness of wages, employment, and productivity, many direct and indirect effects are at play. To ensure a transparent and systematic flow of the review process, I follow the PRISMA guide. Eventually, 36 records out...
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Segmentation Quality Refinement in Large-Scale Medical Image Dataset with Crowd-Sourced Annotations
PublicationDeployment of different techniques of deep learning including Convolutional Neural Networks (CNN) in image classification systems has accomplished outstanding results. However, the advantages and potential impact of such a system can be completely negated if it does not reach a target accuracy. To achieve high classification accuracy with low variance in medical image classification system, there is needed the large size of the...
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GIS-based hydrodynamic modeling for urban flood mitigation in fast-growing regions: a case study of Erbil, Kurdistan Region of Iraq
PublicationFloods threaten urban infrastructure, especially in residential neighborhoods and fast-growing regions. Flood hydrodynamic modeling helps identify flood-prone locations and improve mitigation plans' resilience. Urban floods pose special issues due to changing land cover and a lack of raw data. Using a GIS-based modeling interface, input files for the hydrodynamic model were developed. The physical basin's properties were identified...
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METHODS OF TEACHING SPATIAL AND URBAN PLANNING AT GEODESY AND CARTOGRAPHY
PublicationSpatial and town planning is a complex process caused by the interaction between natural and social systems at different temporal and spatial scales. That is the reason, why it is difficult to introduce this subject to students studying disciplines other than spatial or urban planning. The main problem is to define goals, the scope and expected educational effects. The second step is to choose the appropriate teaching and assessment...
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Obrazy akustyczne dna morskiego w wybranych akwenach Bałtyku
PublicationMetody akustyczne obserwacji obszarów podwodnych mórz i oceanów stosowane są od początku XX wieku. Początkowo były to echosondy nawigacyjne najczęściej składające się z pojedynczych przetworników. Następnie zaczęto stosować sonary do wykrywania obiektów stanowiących przeszkody nawigacyjne pod woda, które miały głównie zastosowanie w marynarce wojennej. W drugiej połowie XX wieku rozpoczęto konstruowanie urządzeń akustycznych, których...
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Open-source software (OSS) and hardware (OSH) in UAVs
PublicationThe popularity of the Open Source Tool (OST) has expanded significantly. This is the case for Unmanned Aerial Vehicles (UAVs) based on open-source hardware (OSH) as well. Open-source software (OSS) and OSH can be applied in a wide range of applications and can improve several technologies. The chapter begins with an introduction to OSS depicting its rationale, description of fundamental differences between OSS and proprietary software...
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A Highly Selective Biosensor Based on Peptide Directly Derived from the HarmOBP7 Aldehyde Binding Site
PublicationThis paper presents the results of research on determining the optimal length of a peptide chain to eectively bind octanal molecules. Peptides that map the aldehyde binding site in HarmOBP7 were immobilized on piezoelectric transducers. Based on computational studies, four Odorant Binding Protein-derived Peptides (OBPPs) with dierent sequences were selected. Molecular modelling results of ligand docking with selected peptides were...
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Estimates for minimal number of periodic points for smooth self-maps of simply-connected manifolds
Open Research DataWe consider a closed smooth connected and simply-connected manifold of dimension at least 4 and its self-map f. The topological invariant Dr[f] is equal to the minimal number of r-periodic points in the smooth homotopy class of f. We assume that r is odd and all coefficients b(k) of so-called periodic expansion of Lefschetz numbers of iterations are...
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Determination of high-intensity sweeteners in beverages by high-performance liquid chromatography with mass spectrometry detection.
PublicationThe objective of the present study was to measure the concentration of nine high intensity sweeteners (acesulfame-K, aspartame, alitame, cyclamate, dulcin, neohesperidin dihydrochalcon, neotame, saccharin and sucralose) in different types of beverages available on the polish market. The proposed methodology reported here consists of a extraction with buffer composed of formic acid and N,N-diisopropylethylamine (pH 4.5) followed...
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Experimental investigation and process parameter optimization of sheet metal bending by line heating method
PublicationThe present study is concerned with the experimental investigation of sheet metal deforming by line heating method that incorporates the combined effect of traverse speed of the torch, thickness of the sheet metal, and the number of passes of the torch. For the numerical analysis of metal bending by line heating, the
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Optimization-based stacked machine-learning method for seismic probability and risk assessment of reinforced concrete shear walls
PublicationEfficient seismic risk assessment aids decision-makers in formulating citywide risk mitigation plans, providing insights into building performance and retrofitting costs. The complexity of modeling, analysis, and post-processing of the results makes it hard to fast-track the seismic probabilities, and there is a need to optimize the computational time. This research addresses seismic probability and risk assessment of reinforced...
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Fast Machine-Learning-Enabled Size Reduction of Microwave Components Using Response Features
PublicationAchieving compact size has emerged as a key consideration in modern microwave design. While structural miniaturization can be accomplished through judicious circuit architecture selection, precise parameter tuning is equally vital to minimize physical dimensions while meeting stringent performance requirements for electrical characteristics. Due to the intricate nature of compact structures, global optimization is recommended,...
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An automated learning model for twitter sentiment analysis using Ranger AdaBelief optimizer based Bidirectional Long Short Term Memory
PublicationSentiment analysis is an automated approach which is utilized in process of analysing textual data to describe public opinion. The sentiment analysis has major role in creating impact in the day-to-day life of individuals. However, a precise interpretation of text still relies as a major concern in classifying sentiment. So, this research introduced Bidirectional Long Short Term Memory with Ranger AdaBelief Optimizer (Bi-LSTM RAO)...
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Machine-Learning-Based Global Optimization of Microwave Passives with Variable-Fidelity EM Models and Response Features
PublicationMaximizing microwave passive component performance demands precise parameter tuning, particularly as modern circuits grow increasingly intricate. Yet, achieving this often requires a comprehensive approach due to their complex geometries and miniaturized structures. However, the computational burden of optimizing these components via full-wave electromagnetic (EM) simulations is substantial. EM analysis remains crucial for circuit...
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Comparative study on total nitrogen prediction in wastewater treatment 1 plant and effect of various feature selection methods on machine learning algorithms performance
PublicationWastewater characteristics prediction in wastewater treatment plants (WWTPs) is valuable and can reduce the number of sampling, energy, and cost. Feature Selection (FS) methods are used in the pre-processing section for enhancing the model performance. This study aims to evaluate the effect of seven different FS methods (filter, wrapper, and embedded methods) on enhancing the prediction accuracy for total nitrogen (TN) in the WWTP...
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On Unsupervised Artificial-Intelligence-Assisted Design of Antennas for High-Performance Planar Devices
PublicationDesign of modern antenna structures is a challenging endeavor. It is laborious, and heavily reliant on engineering insight and experience, especially at the initial stages oriented towards the devel-opment of a suitable antenna architecture. Due to its interactive nature and hands-on procedures (mainly parametric studies) for validating suitability of particular geometric setups, typical antenna development requires many weeks...
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Intracranial hemorrhage detection in 3D computed tomography images using a bi-directional long short-term memory network-based modified genetic algorithm
PublicationIntroduction: Intracranial hemorrhage detection in 3D Computed Tomography (CT) brain images has gained more attention in the research community. The major issue to deal with the 3D CT brain images is scarce and hard to obtain the labelled data with better recognition results. Methods: To overcome the aforementioned problem, a new model has been implemented in this research manuscript. After acquiring the images from the Radiological...
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A novel hybrid adaptive framework for support vector machine-based reliability analysis: A comparative study
PublicationThis study presents an innovative hybrid Adaptive Support Vector Machine - Monte Carlo Simulation (ASVM-MCS) framework for reliability analysis in complex engineering structures. These structures often involve highly nonlinear implicit functions, making traditional gradient-based first or second order reliability algorithms and Monte Carlo Simulation (MCS) time-consuming. The application of surrogate models has proven effective...
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Charge Distribution and Hyperfine Interactions in GdBa2Cu3O7 from First Principles
PublicationW rozdziale przedstawiono wyniki obliczeń "z zasad pierwszych" (''ab initio'') struktury elektronowej, rozkładu ładunku i struktury nadsubtelnej, w szczególności gradientu pola elektrycznego (EFG) i składnika kontaktowego pola nadsubtelnego (HFF), nadprzewodnika wysokotemperaturowego o wzorze GdBa2Cu3O7 (Gd123). Do obliczeń wykorzystano metodę FP-LAPW (full-potential linearized augmented plane wave). Efekty związane z oddziaływaniami...
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Simultaneous Determination of Indolic Compounds in Plant Extracts by Solid-Phase Extraction and High-Performance Liquid Chromatography with UV and Fluorescence Detection
PublicationA high-performance liquid chromatographic method with UV and fluorescence detection (HPLC-DAD-FLD) was developed for simultaneous determination of indolic compounds in plant material. Indole-3-carbinol (I3C), indole-3-acetic acid (I3AA), indole-3-acetonitrile (I3ACN), and 3,3′-diindolylmethane (DIM) were used as representative compounds that cover a wide spectrum of indole structures occurring in nature. For concentration and purification...
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Fast Low-fidelity Wing Aerodynamics Model for Surrogate-Based Shape Optimization
PublicationVariable-fidelity optimization (VFO) can be efficient in terms of the computational cost when compared with traditional approaches, such as gradient-based methods with adjoint sensitivity information. In variable-fidelity methods, the directoptimization of the expensive high-fidelity model is replaced by iterative re-optimization of a physics-based surrogate model, which is constructed from a corrected low-fidelity model. The success...
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Intermolecular Interactions as a Measure of Dapsone Solubility in Neat Solvents and Binary Solvent Mixtures
PublicationDapsone is an effective antibacterial drug used to treat a variety of conditions. However, the aqueous solubility of this drug is limited, as is its permeability. This study expands the available solubility data pool for dapsone by measuring its solubility in several pure organic solvents: N-methyl-2-pyrrolidone (CAS: 872-50-4), dimethyl sulfoxide (CAS: 67-68-5), 4-formylmorpholine (CAS: 4394-85-8), tetraethylene pentamine (CAS:...
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Quantitative study of free convective heat losses from thermodynamic partitions using Thermal Imaging
PublicationThe following paper presents a simple method of determining the presence, distribution and values of heat losses from external building walls as thermodynamic partitions using a Thermal Imaging Camera (TIC). According to Fourier's equation, the value of heat loss is proportional to the temperature gradient ∂t/∂y|y=0 in air in the y direction perpendicular to the heated surface. Unfortunately, air temperature cannot be measured...
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Computationally efficient two-objective optimization of compact microwave couplers through corrected domain patching
PublicationFinding an acceptable compromise between various objectives is a necessity in the design of contemporary microwave components and circuits. A primary reason is that most objectives are at least partially conflicting. For compact microwave structures, the design trade-offs are normally related to the circuit size and its electrical performance. In order to obtain comprehensive information about the best possible trade-offs, multi-objective...
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Study on a polish peat bog “Rucianka” as a source of yeast strains capable of effective phenol biodegradation
PublicationPhenol is one of the most widely distributed environmental pollutants which can be found in wastewaters and industrial effluents. Due to its toxicity and resistance to self-degradation, it could become even lethal for humans and animals. The treatment of this toxic compound is focused on psychical–chemical methods, although biological treatment of phenol is preferable for economic aspects related to relatively...
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Computationally Efficient Design Optimization of Compact Microwave and Antenna Structures
PublicationMiniaturization is one of the important concerns of contemporary wireless communication systems, especially regarding their passive microwave components, such as filters, couplers, power dividers, etc., as well as antennas. It is also very challenging, because adequate performance evaluation of such components requires full-wave electromagnetic (EM) simulation, which is computationally expensive. Although high-fidelity EM analysis...
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Reduced-Cost Design Optimization of High-Frequency Structures Using Adaptive Jacobian Updates
PublicationElectromagnetic (EM) analysis is the primary tool utilized in the design of high-frequency structures. In vast majority of cases, simpler models (e.g., equivalent networks or analytical ones) are either not available or lack accuracy: they can only be used to yield initial designs that need to be further tuned. Consequently, EM-driven adjustment of geometry and/or material parameters of microwave and antenna components is a necessary...
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Global Design Optimization of Microwave Circuits Using Response Feature Inverse Surrogates
PublicationModern microwave design has become heavily reliant on full-wave electromagnetic (EM) simulation tools, which are necessary for accurate evaluation of microwave components. Consequently, it is also indispensable for their development, especially the adjustment of geometry parameters, oriented towards performance improvement. However, EM-driven optimization procedures incur considerable computational expenses, which may become impractical...
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Application of a hybrid mechanistic/machine learning model for prediction of nitrous oxide (N2O) production in a nitrifying sequencing batch reactor
PublicationNitrous oxide (N2O) is a key parameter for evaluating the greenhouse gas emissions from wastewater treatment plants. In this study, a new method for predicting liquid N2O production during nitrification was developed based on a mechanistic model and machine learning (ML) algorithm. The mechanistic model was first used for simulation of two 15-day experimental trials in a nitrifying sequencing batch reactor. Then, model predictions...
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Expedited Acquisition of Database Designs for Reduced-Cost Performance-Driven Modeling and Rapid Dimension Scaling of Antenna Structures
PublicationFast replacement models have been playing an increasing role in high-frequency electronics, including the design of antenna structures. Their role is to improve computational efficiency of the procedures that normally entail large numbers of expensive full-wave electromagnetic (EM) simulations, e.g., parametric optimization or uncertainty quantification. Recently introduced performance-driven modeling methods, such as the nested...
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Pantographic metamaterials: an example of mathematically driven design and of its technological challenges
PublicationIn this paper, we account for the research efforts that have been started, for some among us, already since 2003, and aimed to the design of a class of exotic architectured, optimized (meta) materials. At the first stage of these efforts, as it often happens, the research was based on the results of mathematical investigations. The problem to be solved was stated as follows: determine the material (micro)structure governed by those...
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DESIGN OF THE DUAL CONSTELLATION GPS/GALILEO MOBILE DEVICE FOR IMPROVING NAVIGATION OF THE VISUALLY IMPAIRED IN AN URBAN AREA
PublicationIt is well known by users of Personal Navigation Device (PND) and other GPS-based devices that positioning suffers from (local) significant decreases of accuracy in partially obscured environments like urbanized areas, where buildings (especially high buildings), trees or terrain block large portions of the sky. In such areas, GPS receiver performance is usually deteriorated by the reduced number of currently available satellite...
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DUAL CONSTELLATION GPS/GALILEO MOBILE SYSTEM FOR IMPROVING NAVIGATION OF THE VISUALLY IMPAIRED IN AN URBAN AREA
PublicationIt is well known by users of Portable Navigation Device (PND) and other GPS-based devices that positioning suffers from (local) significant decreases of accuracy in partially obscured environments like urbanized areas, where buildings (especially high buildings), trees or terrain block large portions of the sky. In such areas, GPS receiver performance is usually deteriorated by the reduced number of currently available satellite...
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Retained features of embryonic metabolism in the adult MRL mouse
PublicationThe MRL mouse is an inbred laboratory strain that was derived by selective breeding in 1960 from the rapidly growing LG/J (Large) strain. MRL mice grow to nearly twice the size of other commonly used mouse strains, display uncommonly robust healing and regeneration properties, and express later onset autoimmune traits similar to Systemic Lupus Erythematosis. The regeneration trait (heal) in the MRL mouse maps to 14-20 quantitative...
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Ocena rzeczywistej wytrzymałości betonu na bazie monitoringu procesu dojrzewania i symulacji numerycznych
PublicationGłównym celem rozprawy jest opracowanie procedur badawczych i algorytmów numerycznych do wyznaczania rzeczywistej wytrzymałości betonu w konstrukcji wraz z ich implementacją w procesie budowalnym mostu typu extradosed. Zakres pracy obejmuje rozpoznanie metody dojrzałości, badania laboratoryjne betonów i zapraw, badania betonu zastosowanego do budowy przęsła mostu oraz obliczenia numeryczne rozkładu temperatury i wytrzymałości betonu...
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Modeling of TEC Variations Based on Signals from Near Zenith GNSS Satellite Observed by Dense Regional Network
PublicationCurrently the substantial successes in high-resolution ionospheric mapping is declared in many publications. Nevertheless, up to now there are no examples of dynamic visualization of TEC disturbances on regional scale with as high resolution as tropospheric models. Over the years, ionosphere has been modeling basing on the simple assumption, that it is a thin layer, which surrounds the Earth at some arbitrary height. However, the...
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Structural properties of hydration shell around various conformations of simple polypeptides
PublicationIn this paper we investigate structural properties of water within the solvation shell around the peptide core created by a well-defined conformation of polypeptide chain. The following secondary structures are investigated: linear (straight chain), and three helices PII (polyproline-like), 310, and α. We propose using the two-particle contribution to entropy as a rational measure of the water structural ordering within the solvation...
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Wpływ przechyłki na zjawisko postępowania zużycia bocznego szyn kolejowych w łukach poziomych
PublicationDegradacja elementów nawierzchni kolejowej jest zagadnieniem bardzo złożonym, w które uwikłane jest wiele czynników związanych między innymi z układem geometrycznym toru kolejowego, właściwościami trybologicznymi poszczególnych elementów nawierzchni, jak również z parametrami podłoża gruntowego, a także z właściwościami samych pojazdów szynowych. W artykule omówiono jeden z powyższych problemów, tj. wpływ ukształtowania toru kolejowego...
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Przygotowanie, realizacja i ocena pomiarów terenowych do identyfikacji oporności hydraulicznej sieci wodociągowej
PublicationW procesie tworzenia komputerowego modelu przepływów (KMP) jednym z wiodących zadań jest przygotowanie i realizacja pomiarów terenowych w celu identyfikacji oporności hydraulicznej czynnej sieci wodociągowej. Motywacją autora do przedstawienia zasad postępowania w tym zakresie jest narastająca niefrasobliwość twórców KMP, którzy w nieuprawniony sposób używają paramodeli do rozwiązywania problemów inżynierskich. W pracy zdefiniowano...
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The influence of the geographic positioning system error on the quality of ship magnetic signature reproduction based on measurements in sea conditions
PublicationIn previous studies, the authors performed the magnetic signature reconstruction of the marine ship Zodiak as part of the measurement campaign focused on recording magnetic data and the relative position of a ship during its passage over a magnetometer immersed on the testing ground. A high degree of representation of the magnetic signature was obtained. However, the recorded measurement data revealed new patterns of the multidipole model...
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Methodology of Selecting the Hadoop Ecosystem Configuration in Order to Improve the Performance of a Plagiarism Detection System
PublicationThe plagiarism detection problem involves finding patterns in unstructured text documents. Similarity of documents in this approach means that the documents contain some identical phrases with defined minimal length. The typical methods used to find similar documents in dig- ital libraries are not suitable for this task (plagiarism detection) because found documents may contain similar content and we have not any war- ranty that...