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Search results for: ZAKIAN’S COMPUTATIONAL ALGORITHM
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Metal salts reduction during parylenes polymerization
PublicationPublikacja o wynikach obliczeń kwantowych o możliwości redukcji niektórych soli metali przy pomocy rodników parylenu w czasie jego polimeryzacji.
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Evolution of physics-based methodology for exploring the conformational energy landscape of proteins
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Ergodicity and model quality in template-restrained canonical and temperature/Hamiltonian replica exchange coarse-grained molecular dynamics simulations of proteins
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Kinetic flux vector splitting scheme for solving non-reactive multi-component flows
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Protein structure prediction with the UNRES force-field using Replica-Exchange Monte Carlo-with-Minimization; Comparison with MCM, CSA, and CFMC
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An efficient molecular docking using conformational space annealing
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Generalization of Phylogenetic Matching Metrics with Experimental Tests of Practical Advantages
PublicationThe ability to quantify a dissimilarity of different phylogenetic trees is required in various types of phylogenetic studies, for example, such metrics are used to assess the quality of phylogeny construction methods and to define optimization criteria in supertree building algorithms. In this article, starting from the already described concept of matching metrics, we define three new metrics for rooted phylogenetic trees. One...
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Structure and properties of liquid Al–Cu alloys: Empirical potentials compared
PublicationWe report on the structure and mass transport properties of liquid Al–Cu alloys predicted by two recently-developed empirical many-body potentials: MEAM (Jelinek et al., 2012) and EAM-ADP (Apostol and Mishin, 2011), and by the well-known Gupta potential. Total and partial pair correlation functions, angular distribution functions, densities, coordination numbers and self-diffusion coefficients are compared with published experimental...
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Quadratic Cohen representations in spectral analysis of serration process in Al–Mg alloys
PublicationImportant from mechanical point of view the Portevin–Le Chatelier serration phenomenon is being characterized by a complicated spectral profile. As a typical example of nonstationary processes it demands a special treatment allowing to follow the evolution of energy of stress fluctuations as a function of strain. The authors suggest the utilization of a compact system of quadratic transformations, known as Cohen class, as a technique...
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Personalized prediction of the secondary oocytes number after ovarian stimulation: A machine learning model based on clinical and genetic data
PublicationControlled ovarian stimulation is tailored to the patient based on clinical parameters but estimating the number of retrieved metaphase II (MII) oocytes is a challenge. Here, we have developed a model that takes advantage of the patient’s genetic and clinical characteristics simultaneously for predicting the stimulation outcome. Sequence variants in reproduction-related genes identified by next-generation sequencing were matched...
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Optimization of parallel implementation of UNRES package for coarse‐grained simulations to treat large proteins
PublicationWe report major algorithmic improvements of the UNRES package for physics-based coarse-grained simulations of proteins. These include (i) introduction of interaction lists to optimize computations, (ii) transforming the inertia matrix to a pentadiagonal form to reduce computing and memory requirements, (iii) removing explicit angles and dihedral angles from energy expressions and recoding the most time-consuming energy/force terms...
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Generalized Einstein relation in disordered organic semiconductors: Influence of the acoustic phonons–charge carriers scattering
PublicationIn this work, we analyze the generalized Einstein relation for disordered organic semiconductors with a non-equilibrium Druyvesteyn-type distribution function. The Druyvesteyn behavior of hot electrons in a solid state is associated with the acoustic phonons–charge carriers scattering. Such a case has been experimentally demonstrated in electroluminescent inorganic rare–earth–doped zinc chalcogenides. Therefore, we can assume that,...
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Long‐time scale simulations of virus‐like particles from three human‐norovirus strains
PublicationThe dynamics of the virus like particles (VLPs) corresponding to the GII.4 Houston, GII.2 SMV, and GI.1 Norwalk strains of human noroviruses (HuNoV) that cause gastroenteritis was investigated by means of long-time (about 30 μs in the laboratory timescale) molecular dynamics simulations with the coarse-grained UNRES force field. The main motion of VLP units turned out to be the bending at the junction between the P1 subdomain (that...
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Negative Poisson’s ratio from pentagons: A new auxetic structure combining three different auxetic mechanisms
PublicationA novel class of two-dimensional auxetic structures based on the pentagon motif is proposed. Their mechanical properties are investigated by combining molecular mechanics simulations with a simple three-parameter mechanical model which assumes perfectly elastic behavior. It is predicted that the proposed structures – termed as double re-entrant honeycomb – may possess unique mechanical characteristics, which include complete and...
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Applying molecular dynamics simulation to take the fracture fingerprint of polycrystalline SiC nanosheets
PublicationGraphene-like nanosheets are the key elements of advanced materials and systems. The mechanical behavior of the structurally perfect 2D nanostructures is well documented, but that of polycrystalline ones is less understood. Herein, we applied molecular dynamics simulation (MDS) to take the fracture fingerprint of polycrystalline SiC nanosheets (PSiCNS), where monocrystalline SiC nanosheets (MSiCNS) was the reference nanosheet....
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Molecular mechanism of proton-coupled ligand translocation by the bacterial efflux pump EmrE
PublicationThe current surge in bacterial multi-drug resistance (MDR) is one of the largest challenges to public health, threatening to render ineffective many therapies we rely on for treatment of serious infections. Understanding different factors that contribute to MDR is hence crucial from the global “one health” perspective. In this contribution, we focus on the prototypical broad-selectivity proton-coupled antiporter EmrE, one of the...
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In-depth characterization of icosahedral ordering in liquid copper
PublicationThe presence of icosahedral ordering in liquid copper at temperatures close to the melting point is now well-established both experimentally and through computer simulation. However, a more elaborate analysis of local icosahedral and icosahedron-like structures, together with a system for classifying such structures based on some measure of "icosahedrity", has so far been conspicuously absent in the literature. Similarly, the dynamics...
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On the joint time-frequency characteristics of chemical oscillations
PublicationZaprezentowano rezultaty analizy czasowo-częstotliwościowej rejestrów potencjałowych oscylacyjnej reakcji Biełousowa-Żabotyńskiego (BŻ). Wybraną reprezentację czasowo-częstotliwościową w postaci algorytmu STFT zastosowano do analizy typowych przebiegów reakcji BŻ, prowadzonej w układzie zamkniętym. Zaprezentowano spektrogramy STFT ukazujące czasowo-częstotliwościową strukturę oscylacji regularnych, mieszanych i chaotycznych. Na...
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DISTRIBUTION OF FLOWS IN A CHANNEL NETWORK UNDER STEADY FLOW CONDITIONS
PublicationThe article presents an algorithm for calculating the distribution of flow in a junction of open channel network under steady flow conditions. The article presents a simplified calculation algorithm used to estimate the distribution of flow in a network of channels under steady flow conditions. The presented algorithm is based on the continuity equation and a simplified energy equation. To describe the relationship between the...
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Bezczujnikowe sterowanie trakcyjnym silnikiem IPMSM małej mocy
PublicationThis paper describes an algorithm for estimation of IPMSM angular rotor position. The algorithm uses derivatives of motor phase currents resulting from PWM modulation to obtain the rotor position. Control of the IPMSM electromagnetic torque requires a precise estimation of the rotor angular position throughout the wide speed range. This involves using a set of estimation methods switched with the dependence on the actual rotor...
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Bass Enhancement Settings in Portable Devices Based on Music Genre Recognition
PublicationThe paper presents a novel approach to the Virtual Bass Synthesis (VBS) applied to mobile devices, called Smart VBS (SVBS). The proposed algorithm uses an intelligent, rule-based setting of bass synthesis parameters adjusted to the particular music genre. Harmonic generation is based on a nonlinear device (NLD) method with the intelligent controlling system adapting to the recognized music genre. To automatically classify music...
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Information Retrieval in Wikipedia with Conceptual Directions
PublicationThe paper describes our algorithm used for retrieval of textual information from Wikipedia. The experiments show that the algorithm allows to improve typical evaluation measures of retrieval quality. The improvement of the retrieval results was achieved by two phase usage approach. In first the algorithm extends the set of content that has been indexed by the specified keywords and thus increases the Recall value. Then, using the...
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International Conference on Computational Semiotics for Games and New Media
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International Conference on Computational Intelligence, Robotics and Autonomous Systems
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European Conference on Computational Learning Theory (Now in COLT)
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International Conference on Intelligent Text Processing and Computational Linguistics
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IEEE Conference on Cognitive and Computational Aspects of Situation Management
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International Conference on Practical Applications of Computational Biology & Bioinformatics
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IEEE Workshop on Computational Intelligence in Vehicles and Vehicular Systems
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International Conference on Computational Intelligence for Modelling, Control and Automation
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International Meeting on High Performance Computing for Computational Science
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IEEE Symposium on Computational Intelligence in Image and Signal Processing
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Kyoto International Conference on Computational Geometry and Graph Theory
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IEEE Symposium on Computational Intelligence for Security and Defence Applications
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Adaptacyjny algorytm filtracji sygnału fonokardiograficznego wykorzystujący sztuczną sieć neuronową
PublicationPodstawowym problemem podczas projektowania systemu autodiagnostyki chorób serca, bazującego na analizie sygnału fonokardiograficznego (PCG), jest konieczność zapewnienia, niezależnie od warunków zewnętrznych, sygnału o wysokiej jakości. W artykule, bazując na zdolności Sztucznej Sieci Neuronowej (SSN) do predykcji sygnałów periodycznych oraz quasi-periodycznych, został opracowany adaptacyjny algorytm filtracji dźwięków serca....
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Wykorzystanie sztucznych sieci neuronowych do wykrywania i rozpoznawania tablic rejestracyjnych na zdjęciach pojazdów
PublicationW artykule przedstawiono koncepcję algorytmu wykrywania i rozpoznawania tablic rejestracyjnych (AWiRTR) na obrazach cyfrowych pojazdów. Detekcja i lokalizacja tablic rejestracyjnych oraz wyodrębnienie z obrazu tablicy rejestracyjnej poszczególnych znaków odbywa się z wykorzystaniem podstawowych technik przetwarzania obrazu (przekształcenia morfologiczne, wykrywanie krawędzi) jak i podstawowych danych statystycznych obiektów wykrytych...
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International Conference on Computational Collective Intelligence (International Conference on Computational Collective Intelligence: Semantic Web, Social Networks and Multiagent Systems)
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Extraction of stable foreground image regions for unattended luggage detection
PublicationA novel approach to detection of stationary objects in the video stream is presented. Stationary objects are these separated from the static background, but remaining motionless for a prolonged time. Extraction of stationary objects from images is useful in automatic detection of unattended luggage. The proposed algorithm is based on detection of image regions containing foreground image pixels having stable values in time and...
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On tracking properties of real-valued generalized adaptive notch filters
PublicationGeneralized adaptive notch filters (GANFs) are used for identification/tracking of quasi-periodically varying dynamic systems and can be considered an extension, to the system case, of classical adaptive notch filters. The paper presents results of local performance analysis of a real-valued GANF algorithm, i.e., algorithm designed to track parameters of a real-valued system. This is an extension of the previous work which focused...
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Multi-objective Weather Routing with Customised Criteria and Constraints
PublicationThe paper presents a weather routing algorithm utilising a multi-objective optimisation with constraints, namely the Multi-objective Evolutionary Weather Routing Algorithm (MEWRA). In the proposed approach weather route recommendations can be made simultaneously e.g. for passage time, fuel consumption and safety of passage by means of Pareto optimisation. The sets of criteria and constraints in the optimisation process are fully...
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Metaheurystyki sztucznej inteligencji w wybranych grach komputerowych
PublicationW pracy omówiono trzy metaheurystyki sztucznej inteligencji, które mogą stać się źródłem inspiracji dla projektantów gier komputerowych. Pokazano, w jaki sposób zastosowano algorytm mrówkowy, algorytm genetyczny i algorytm tabu search w grach komputerowych zaprojektowanych przez studentów Politechniki Gdańskiej. W szczególności, odniesiono się do problematyki wyznaczania trajektorii przemieszczających się obiektów...
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Rozpoznawanie oraz lokalizacja w obrazie przewodów linii wysokiego napięcia
PublicationW pracy przedstawiono opracowany algorytm rozpoznawania oraz lokalizacji przewodów linii wysokiego napięcia na podstawie obrazu horyzontalnego. Procedura detekcji przewodu została podzielona na trzy etapy. Pierwszy etap zawiera algorytm wykrywania krawędzi wykazujący największą czułość na krawędzie poziome, a jednocześnie brak czułości na krawędzie pionowe. Efektem jest znaczna redukcja liczby wykrytych krawędzi w porównaniu do...
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Resolving conflicts in object tracking for automatic detection of events in video
PublicationAn algorithm for resolving conflicts in tracking of moving objects is presented. The proposed approach utilizes predicted states calculated by Kalman filters for estimation of trackers position, then it uses color and texture descriptors in order to match moving objects with trackers. Problematic situations, such as splitting objects, are addressed. Test results are presented and discussed. The algorithm may be used in the system...
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Blackout initial disturbances in electric Power System searching
PublicationThe paper contains short survey of the blackouts that took place in the last few years. The sources and initial disturbances are discussed. The typical scenario of the disturbance, leading to blackout in the electrical power system are presented.Next, models of a power system eligible to considered topic are discussed. Finally the algorithm of the blackout initial disturbances in power system searching is presented.The consideration...
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Malignant lymphoma, large B-cell, diffuse, centroblastic, NOS - Female, 72 - Tissue image [9300729527452791]
Open Research DataThis is the histopathological image of LYMPH NODES tissue sample obtained in Medical University Gdańsk and deposited in ZMDL-GUMED. The sample image was taken using: Pannoramic 250 3DHistech slide scanner (20x magnification) and saved to DICOM format.
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Malignant lymphoma, large B-cell, diffuse, centroblastic, NOS - Female, 72 - Tissue image [9300729527456391]
Open Research DataThis is the histopathological image of LYMPH NODES tissue sample obtained in Medical University Gdańsk and deposited in ZMDL-GUMED. The sample image was taken using: Pannoramic 250 3DHistech slide scanner (20x magnification) and saved to DICOM format.
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Malignant lymphoma, large B-cell, diffuse, centroblastic, NOS - Female, 72 - Tissue image [9300729527455891]
Open Research DataThis is the histopathological image of LYMPH NODES tissue sample obtained in Medical University Gdańsk and deposited in ZMDL-GUMED. The sample image was taken using: Pannoramic 250 3DHistech slide scanner (20x magnification) and saved to DICOM format.
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Database of the minimal sets of Lefschetz periods for Morse-Smale diffeomorphisms of a connected sum of g real projective planes.
Open Research DataMorse–Smale diffeomorphisms, structurally stable and having relatively simple dynamics, constitute an important subclass of diffeomorphisms that were carefully studied during past decades. For a given Morse–Smale diffeomorphism one can consider “Minimal set of Lefschetz periods”, which provides the information about the set of periodic points of considered...
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The database of odd algebraic periods for quasi-unipotent self-maps of a space having the same homology group as the connected sum of g tori
Open Research DataThe dataset consists of 20 files indexed by numbers g=1,...,20. Each file provides sets of odd algebraic periods for all quasi-unipotent self-maps of a space having the same homology groups as the connected sum of g tori. Let us remark that each data set covers all algebraical restrictions that come from zeta functions for the sets of minimal Lefschetz...
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Algorytmy hybrydowe optymalizacji w zastosowaniu do problemu sterowania systemami dystrybucji wody
PublicationW pracy analizowany jest problem optymalizującego zintegrowanego sterowania ilością i jakością w systemach dystrybucji wody. Proponowane decyzje i sterowania powinny zapewniać optymalizację przyjętego wskaźnika jakości, przy spełnieniu ograniczeń właściwych tej klasie systemów. Ostatecznie do rozwiązania złożonych zadań optymalizacji dynamicznej zaproponowane zostało podejście hybrydowe, wspomagające predykcyjne algorytmy sterowania...