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Wyniki wyszukiwania dla: NEURO-FUZZY MODELLING
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Simplified AutoDock force field for hydrated binding sites
Publikacjahas been extracted from the Protein Data Bank and used to test and recalibrate AutoDock force field. Since for some binding sites water molecules are crucial for bridging the receptor-ligand interactions, they have to be included in the analysis. To simplify the process of incorporating water molecules into the binding sites and make it less ambiguous, new simple water model was created. After recalibration of the force field on...
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Visualizing spatially decomposed intermolecular correlations in the infrared spectra of aprotic liquids
PublikacjaInfrared (IR) spectroscopy is commonly used to study intermolecular interactions in the liquid phase, including solvation phenomena. On the other hand, ab initio molecular dynamics (AIMD) simulations offer the possibility to obtain IR spectra from first principles. Surpassing the experiment, AIMD simulations can deliver additional information on the spatial intermolecular correlations underlying the IR spectrum of the liquid. Although...
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MERPSYS: An environment for simulation of parallel application execution on large scale HPC systems
PublikacjaIn this paper we present a new environment called MERPSYS that allows simulation of parallel application execution time on cluster-based systems. The environment offers a modeling application using the Java language extended with methods representing message passing type communication routines. It also offers a graphical interface for building a system model that incorporates various hardware components such as CPUs, GPUs, interconnects...
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Seeking genetic signature of radiosensitivity - a novel method for data analysis in case of small sample sizes
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Evaluation of the scale-consistent UNRES force field in template-free prediction of protein structures in the CASP13 experiment
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Use of the UNRES force field in template-assisted prediction of protein structures and the refinement of server models: Test with CASP12 targets
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Ensemble fits of restrained peptides’ conformational equilibria to NMR data. Dependence on force fields: AMBER/8 ff03 versus ECEPP/3
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Ships Shore Service Optimization Using the Queueing Theory
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Molecular dynamics-based model of VEGF-A and its heparin interactions
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Invariant measures for interval translations and some other piecewise continuous maps
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Efficient parallel implementation of crowd simulation using a hybrid CPU+GPU high performance computing system
PublikacjaIn the paper we present a modern efficient parallel OpenMP+CUDA implementation of crowd simulation for hybrid CPU+GPU systems and demonstrate its higher performance over CPU-only and GPU-only implementations for several problem sizes including 10 000, 50 000, 100 000, 500 000 and 1 000 000 agents. We show how performance varies for various tile sizes and what CPU–GPU load balancing settings shall be preferred for various domain...
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Modeling protein structures with the coarse-grained UNRES force field in the CASP14 experiment
PublikacjaThe UNited RESidue (UNRES) force field was tested in the 14th Community Wide Experiment on the Critical Assessment of Techniques for Protein Structure Prediction (CASP14), in which larger oligomeric and multimeric targets were present compared to previous editions. Three prediction modes were tested (i) ab initio (the UNRES group), (ii) contact-assisted (the UNRES- contact group), and (iii) template-assisted (the UNRES-template...
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Atmospheric degradation mechanism of anthracene initiated by OH•: A DFT prediction
PublikacjaDensity functional theory (DFT) calculations at the M06-2X/def2-TZVP level have been employed to investigate the atmospheric oxidation mechanism of anthracene (ANT) initiated by HO•. Direct hydrogen atom abstraction from the ANT using HO• takes place hardly at ambient conditions while the addition of HO• to the C1, C2, and C4 sites are thermodynamically and kinetically more advantageous. The addition reactions are controlled by...
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Robust design in delta domain for SISO plants: PI and PID controllers
PublikacjaW pracy przedstawiono zunifikowaną metodę numerycznie odpornej syntezy sterowników (regulatorów) działających w dyskretnym czasie w układach sterowania skalarnymi obiektami czasu ciągłego. Wykorzystano dyskretnoczasowe modele takich obiektów, oparte na tak zwanym operatorze delta, charakteryzującym się korzystnymi odpornościowymi cechami w przypadku stosowania dostatecznie małych wartości okresu próbkowania przetwarzanych sygnałów....
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Conceptual system development in a concurrent environment
PublikacjaW artykule omówiono możliwości wspomagania jednego z najważniejszych obszarów projektowania, a mianowicie projektowania koncepcyjnego. Rozważania te odniesiono do otoczenia inżynierii wspozadaniowej, co dodatkowo skomplikowano problemy decyzyjne podejmowane na tym etapie projektowania. Zaproponowano szereg elementów wspomagania projektowania koncepcyjnego ze szczególnym uwzględnieniem możliwości praktycznej implementacji takiego...
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The methods of design reliable distributed networks
PublikacjaOpisano dwie metody projektowania niezawodnych sieci rozległych. W pierwszej metodzie przyjęto, że koszt konstrukcji każdego połączenia jest jednakowy, w drugiej koszty opisuje zadana macierz kosztów. Jako parametr niezawodnościowy przyjęto liczbę niezależnych dróg pomiędzy węzłami sieci. Pierwsza z metod jest metodą dokładną, druga heurystyczną. Zdefiniowano i oceniono błąd metody heurystycznej. Opublikowano wyniki otrzymane...
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Non-regular, incomplete and singular dynamical systems: impasse points indynamical systems
PublikacjaRozważono nieregularne, niezupełne i osobliwe różniczkowe systemy dynamicznez zastosowaniem metod geometrii różniczkowej.
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Qualitative and quantitative mechanisms in managing IT projects in concur-rent engineering environment
PublikacjaW artykule przedstawiono wprowadzenie do twardych i miękkich moetod modelowania. Nastepnie wprowadzono czytelnika do obszaru inżynierii równoległej (współzadaniowej). Całość zaproponowano jakośrodowisko wspomagania decyzji w procesach zarządzania złożonymi międzynarodowymi projektami badawczymi w obszaru Information Technology.
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I-lossless factorisations for robust H-inf-control in delta-domain
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Robust pole placement in delta domain for SISO plans
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An Approach to Bass Enhancement in Portable Computers Employing Smart Virtual Bass Synthesis Algorithms
PublikacjaThe aim of this paper is to present a novel approach to the Virtual Bass Synthesis (VBS) algorithms applied to portable computers. The developed algorithms are related to intelligent, rule-based setting of synthesis parameters according to music genre of an audio excerpt and to the type of a portable device in use. To find optimum synthesis parameters of the VBS algorithms, subjective listening tests based on a parametric procedure...
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Gesture-based computer control system applied to the interactive whiteboard
PublikacjaIn the paper the gesture-based computer control system coupled with the dedicated touchless interactive whiteboard is presented. The system engineered enables a user to control any top-most computer application by using one or both hands gestures. First, a review of gesture recognition applications with a focus on methods and algorithms applied is given. Hardware and software solution of the system consisting of a PC, camera, multimedia...
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Gesture-based computer control system applied to the interactive whiteboard
PublikacjaIn the paper the gesture-based computer control system coupled with the dedicated touchless interactive whiteboard is presented. The system engineered enables a user to control any top-most computer application by using one or both hands gestures. First, a review of gesture recognition applications with a focus on methods and algorithms applied is given. Hardware and software solution of the system consisting of a PC, camera, multimedia...
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The dynamic signature verification using population-based vertical partitioning
PublikacjaThe dynamic signature is an attribute used in behavioral biometrics for verifying the identity of an individual. This attribute, apart from the shape of the signature, also contains information about the dynamics of the signing process described by the signals which tend to change over time. It is possible to process those signals in order to obtain descriptors of the signature characteristic of an individual user. One of the methods...
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Dynamic Bankruptcy Prediction Models for European Enterprises
PublikacjaThis manuscript is devoted to the issue of forecasting corporate bankruptcy. Determining a firm’s bankruptcy risk is one of the most interesting topics for investors and decision-makers. The aim of the paper is to develop and to evaluate dynamic bankruptcy prediction models for European enterprises. To conduct this objective, four forecasting models are developed with the use of four different methods—fuzzy sets, recurrent and...
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Wrażliwość probabilistyczna stanów granicznych konstrukcji - metoda Monte Carlo
PublikacjaPraca ukazuje zastosowanie metody symulacyjnej Monte Carlo w analizie losowej konstrukcji inżynierskich. Systematyka metod losowych obejmuje ich trzy poziomy, z zaznaczeniem poziomu trzeciego, o dowolnych typach zmiennych losowych – zmiennych podstawowych problemu. Ukazano przykład modelowana losowego obciążenia wiatrem na podstawie 10-letnich pomiarów prędkości wiatru, wykazując zgodność zbioru danych z rozkładem ekstremów Gumbela....
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Teoria zbiorów rozmytych w zarządzaniu ryzykiem jako utylitarne narzędzie systemu zarządzania jakością
PublikacjaDziałalność przedsiębiorstwa wiąże się z potrzebą analizowania ryzyka oddziałującego na procesy firmy. Norma PN-EN ISO 9001:2015 dokonuje identyfikacji czynników ryzyka i ich wpływu na jakość wyrobu. W szacowaniu ryzyka punktowe oceny wyrażające subiektywne opinie zastępowane są coraz częściej formalnym zapisem niepewności. Artykuł ukazuje zastosowanie rozmytego systemu wnioskującego w procesie zarządzania ryzykiem, umożliwiającego...
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Fractional Order Circuit Elements Derived from Electromagnetism
PublikacjaIn this paper, derivations of fractional-order (FO) circuit-element equations from electromagnetism are presented. Whilst many papers are devoted to FO modelling of electrical circuits, there are no strong foundations for such an approach. Therefore, we investigate relations between the FO electromagnetism and the FO circuit theory. Our derivations start from quasi-static (QS) approximations of Maxwell's equations in media with...
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Selected aspects of customization of cognitive dimensions for evaluation of visual modeling languages.
PublikacjaFor the successful application of diagrams in software engineering, high quality visual modelling languages (VML) are required. There is a need for new effective methodologies of VML evaluation. This paper discusses selected aspects of applying cognitive dimensions as a basis of the evaluation. Then, it briefly presents CD-VML methodology which integrates the cognitive dimensions with a theory of visual modelling languages. Finally,...
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On Non-holonomic Boundary Conditions within the Nonlinear Cosserat Continuum
PublikacjaWithin the framework of the nonlinear micropolar elastic continuum we discuss non-holonomic kinematic boundary conditions. By non-holonomic boundary conditions we mean linear relations between virtual displacements and virtual rotations given on the boundary. Such boundary conditions can be used for modelling of complex material interactions in the vicinity of the boundaries and interfaces.
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Secure access control and information protection mechanisms in radio system for monitoring and acquisition of data from traffic enforcement cameras
PublikacjaThe study presents the architecture of the Radio System for Monitoring and Acquisition of Data from Traffic Enforcement Cameras (in short: RSMAD), particularly concerning access control and protection of confidential data. RSMAD security structure will be discussed in relation to network security issues. Additionally, the paper presents the results of the work associated with the modelling of potential threats to system security.
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Computational algorithm for the analysis of mechatronic systems with distributed parameter elements
PublikacjaThe paper presents a systematic computational package for analysis of complex systems composed of multiple lumped and distributed parameter subsystems. The algorithm is based on the transfer function method (DTFM). With this algorithm, a bond graph technique for the modelling is developed to simplify computations. Analysis of different systems requires only changing the inputs data in the form of the bond graph diagram
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Toward Mechanosynthesis of diamondoid structures: III. Quantum-chemical study of silylene molecule and silicon atom transfer mechanism from caped SWCNT tip to the reaction center on a hydrogenated Si(111) surface
PublikacjaOpublikowana wcześniej (Modelling Simul. Mater. Sci. Eng., Vol. 7, 1999, pp. 43-58) strategia mechanosyntezy struktur krzemu na uwodornionej płaszczyźnie Si(111) została poszerzona poprzez uwzględnienie ostrza w postaci zamkniętej SWCNT jako urządzenia kontrolującego położenie cząsteczki sililenu oraz atomu krzemu.
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The particle method for simulation of self-organization phenomena
PublikacjaThe aim of the work was to design, implement, and use, in a number of experiments, an abstract software environment (an artificial world)suitable for modelling systems consisting of many moving and interactingobjects distributed in space. The environment, named DigiHive, is directed towards modeling of complex systems manifested by processes of self-organization, self-reproduction and self modifications. The environment is mainly...
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Coupled Urban Areas Inundation Model with Interaction Between Storm Water System and Surface Flow - Case Study of Sea Level Impact on Seaside Areas Flooding
PublikacjaInundations are becoming more frequent than ever. What is connected with increasing area of impervious surface in cities. This makes predicting urban flooding and its scale especially important. At the seaside we observe additional conditions such as sea level that makes accurate numerical modelling of issue even harder. With complex approach to the matter which is simultaneous calculation of storm water conduit flow and overland...
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The new investing effectiveness evaluation multi-criteria method in modern supply systems
PublikacjaThe important problem in the processes of modelling and programming the development of sustainable energy sector is the multi-criteria manner of assessing the effectiveness of investments. The goal of this paper is to show how to take into account the impact of investments in multidimensional modelling decision-making processes. This goal can be achieved through the development, presentation, and use of a new multi-criteria method...
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Experimental and computational study on mechanical behaviour of carpentry corner log joints
PublikacjaThis work concerns experimental and numerical research on carpentry joints used in historic wooden buildings in southeastern Poland and western Ukraine. These structures are mainly sacred buildings, and the types of corner log joints characteristic of this region are primarily saddle-notch and dovetail joints; thus, these two types of joints were analysed in this study. The modelling of historic timber structures is a complex...
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Influence of Added Water Mass on Ship Structure Vibration Parameters in Virtual and Real Conditions
PublikacjaModelling of ship structures in a virtual environment is now standard practice. Unfortunately, many engineers forget to consideri the influence of added water on the frequency values and the amplitude of natural vibrations. The article presents the effect of water damping on the frequency values of the individual natural vibration modes. The tests were carried out in two stages. First, the mentioned values were determined using...
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Controlling computer by lip gestures employing neural network
PublikacjaResults of experiments regarding lip gesture recognition with an artificial neural network are discussed. The neural network module forms the core element of a multimodal human-computer interface called LipMouse. This solution allows a user to work on a computer using lip movements and gestures. A user face is detected in a video stream from a standard web camera using a cascade of boosted classifiers working with Haar-like features....
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Human-Computer Interface Based on Visual Lip Movement and Gesture Recognition
PublikacjaThe multimodal human-computer interface (HCI) called LipMouse is presented, allowing a user to work on a computer using movements and gestures made with his/her mouth only. Algorithms for lip movement tracking and lip gesture recognition are presented in details. User face images are captured with a standard webcam. Face detection is based on a cascade of boosted classifiers using Haar-like features. A mouth region is located in...
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Application of algorithms for reasoning from imperfect knowledge in it evaluation environment
PublikacjaThe paper describes concept of building multi-agent system dedicated for information technology evaluation or selection for IT enterprises management (IT_MAS). Authors present the model of Knowledge Processing Environment, which is one of main components of the solution. Either facts or rules will be based on IT specialists' experience. However, knowledge which is being acquisited from IT domain is mostly imperfect - uncertain...
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On a Method of Efficiency Increasing in Kaplan Turbine
PublikacjaThis paper presents a method of increasing efficiency in Kaplan-type turbine. The method is based on blade profile optimisation together with modelling the interaction between rotor and stator blades. Loss coefficient was chosen as the optimisation criterion, which is related directly to efficiency. Global optimum was found by means of Genetic Algorithms, and Artificial Neural Networks were utilised for approximations to reduce...
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Planning optimised multi-tasking operations under the capability for parallel machining
PublikacjaThe advent of advanced multi-tasking machines (MTMs) in the metalworking industry has provided the opportunity for more efficient parallel machining as compared to traditional sequential processing. It entailed the need for developing appropriate reasoning schemes for efficient process planning to take advantage of machining capabilities inherent in these machines. This paper addresses an adequate methodical approach for a non-linear...
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How to model ROC curves - a credit scoring perspective
PublikacjaROC curves, which derive from signal detection theory, are widely used to assess binary classifiers in various domains. The AUROC (area under the ROC curve) ratio or its transformations (the Gini coefficient) belong to the most widely used synthetic measures of the separation power of classification models, such as medical diagnostic tests or credit scoring. Frequently a need arises to model an ROC curve. In the biostatistical...
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CPLFD-GDPT5: High-resolution gridded daily precipitation and temperature data set for two largest Polish river basins
PublikacjaThe CHASE-PL (Climate change impact assessment for selected sectors in Poland) Forcing Data–Gridded Daily Precipitation & Temperature Dataset–5 km (CPLFD-GDPT5) consists of 1951–2013 daily minimum and maximum air temperatures and precipitation totals interpolated onto a 5 km grid based on daily meteorological observations from the Institute of Meteorology and Water Management (IMGW-PIB; Polish stations), Deutscher Wetterdienst...
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Nonlocal Models of Plates and Shells with Applications in Micro- and Nanomechanics
PublikacjaNowadays, the use of small-scale structures in micro/nanomachines has become more and more widespread. The most important applications of such small-sized parts are in micro-electro-mechanical systems (MEMS) as well as nano-electro-mechanical systems (NEMS) as actuators, sensors, energy harvesters. For example, nanosensors are nanoscale devices that measure physical quantities and convert these to signals that can be detected and...
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G2DC-PL+: a gridded 2 km daily climate dataset for the union of the Polish territory and the Vistula and Odra basins
PublikacjaG2DC-PL+, a gridded 2 km daily climate dataset for the union of the Polish territory and the Vistula and Odra basins, is an update and extension of the CHASE-PL Forcing Data – Gridded Daily Precipitation and Temperature Dataset – 5 km (CPLFD-GDPT5). The latter was the first publicly available, high-resolution climate forcing dataset in Poland, used for a range of purposes including hydrological modelling and bias correction of...
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Control of nonlinear and linearized model of self-balancing electric motorcycle
PublikacjaSelf-Balancing Electric Motorcycle (SBEM) is a dynamic and nonlinear electro-mechanical system. In this paper, the process of mathematical modelling and line-arization of SBEM is presented. The model of the control system in Matlab envi-ronment is implemented. The control system using the PID controller is designed. The operation of particular structures of the PID controller on the simulation model is compared. Due to simulation...
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Determining and verifying the safety integrity level of the controland protection systems under uncertainty
PublikacjaThe probabilistic models of the electrical, electronic and programmable electronic (E/E/PE)systems, which are proposed in the IEC 61508 and IEC 61511 standards, do not cover the uncertainty aspectsof results obtained from these models. The proposed method takes into consideration the sensitivity analysisof probabilistic models of E/E/PE systems as well as the uncertainty of probabilistic results. It uses differentialfactors, which...
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Behavior Analysis and Dynamic Crowd Management in Video Surveillance System
PublikacjaA concept and practical implementation of a crowd management system which acquires input data by the set of monitoring cameras is presented. Two leading threads are considered. First concerns the crowd behavior analysis. Second thread focuses on detection of a hold-ups in the doorway. The optical flow combined with soft computing methods (neural network) is employed to evaluate the type of crowd behavior, and fuzzy logic aids detection...