Search results for: COMPUTATIONAL SYSTEMS
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Finite element matrix generation on a GPU
PublicationThis paper presents an efficient technique for fast generation of sparse systems of linear equations arising in computational electromagnetics in a finite element method using higher order elements. The proposed approach employs a graphics processing unit (GPU) for both numerical integration and matrix assembly. The performance results obtained on a test platform consisting of a Fermi GPU (1x Tesla C2075) and a CPU (2x twelve-core...
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Automatic Rhythm Retrieval from Musical Files
PublicationThis paper presents a comparison of the effectiveness of two computational intelligence approaches applied to the task of retrieving rhythmic structure from musical files. The method proposed by the authors of this paper generates rhythmic levels first, and then uses these levels to compose rhythmic hypotheses. Three phases: creating periods, creating simplified hypotheses and creating full hypotheses are examined within this study....
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COMPUTATIONAL BIOLOGY AND CHEMISTRY
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Computational and Theoretical Chemistry
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JOURNAL OF COMPUTATIONAL BIOLOGY
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DL_MG: A Parallel Multigrid Poisson and Poisson–Boltzmann Solver for Electronic Structure Calculations in Vacuum and Solution
PublicationThe solution of the Poisson equation is a crucial step in electronic structure calculations, yielding the electrostatic potential -- a key component of the quantum mechanical Hamiltonian. In recent decades, theoretical advances and increases in computer performance have made it possible to simulate the electronic structure of extended systems in complex environments. This requires the solution of more complicated variants of the...
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Inhibiting activity of HIV-1: protease, reverse transcriptase and integrase all together by novel compounds using computational approaches (flexible and rigid docking)
PublicationAcquired immunodeficiency syndrome (AIDS), caused by human immunodeficiency virus type 1 (HIV-1) infection, is one of the most challenging diseases in recent decades. Nevertheless the shortcomings of chemical drugs such as toxicity, lack of curative effects, the search for more potent anti-HIV agents have been focused in our study. In current study, novel scaffold was designed having a benzyl and imidazole in it which are very...
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Obliczeniowa analiza wybranych systemów dostarczania smaru w hydrodynamicznych łożyskach wzdłużnych = Computational analysis of selected supply designs in hydrodynamic thrust bearings
PublicationPrzedstawiono przykładowe wyniki obliczeniowej analizy wpływu zastosowania wybranych systemów dostarczania schłodzonego oleju do łożyska na właściwości łożyska.
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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).
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Generating actionable evidence from free-text feedback to improve maternity and acute hospital experiences: A computational text analytics & predictive modelling approach
PublicationBackground Patient experience surveys are a key source of evidence for supporting decision-making and quality improvement in healthcare services. These surveys contain two main types of questions: closed and open-ended, asking about patients’ care experiences. Apart from the knowledge obtained from analysing closed-ended questions, invaluable insights can be gleaned from free-text data. Advanced analytics techniques are increasingly...
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Advanced Control With PLC—Code Generator for aMPC Controller Implementation and Cooperation With External Computational Server for Dealing With Multidimensionality, Constraints and LMI Based Robustness
PublicationThe manufacturers of Programmable Logic Controllers (PLC) usually equip their products with extremely simple control algorithms, such as PID and on-off regulators. However, modern PLCs have much more efficient processors and extensive memory, which enables implementing more sophisticated controllers. The paper discusses issues related to the implementation of matrix operations, time limitations for code execution within one PLC...
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Exploring novel Cd(ii) complexes with 5-methyl-4-imidazolecarboxaldehyde: synthesis, structure, computational insights, and affinity to DNA through switchSense methodology
PublicationA series of four Cd(II) complexes with 5-methyl-4-imidazolecarboxaldehyde (L) with different inorganic anions within or outside the coordination sphere of general formula: [CdCl2 L2 ] (1), [CdBr2 L 2] (2), [CdI2L 2] (3), and [CdL4 ](PF6 )2 ·3H2 O (4) was synthesized through one-step and two-step reactions, respectively. All complexes were obtained as colorless crystals without the need for recrystallization and exhibited solubi- lity...
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Computational analysis of an infinite magneto-thermoelastic solid periodically dispersed with varying heat flow based on non-local Moore–Gibson–Thompson approach
PublicationIn this investigation, a computational analysis is conducted to study a magneto-thermoelastic problem for an isotropic perfectly conducting half-space medium. The medium is subjected to a periodic heat flow in the presence of a continuous longitude magnetic field. Based on Moore–Gibson–Thompson equation, a new generalized model has been investigated to address the considered problem. The introduced model can be formulated by combining...
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A constitutive model for concrete based on continuum theory with non-local softening coupled with eXtended Finite Element Method. Computational Modelling of Concrete Structures,
PublicationArtykuł omawia model połączony ciągły-nieciągły do modelowania stref lokalizacji i rys w betonie niezbrojonym. Obliczenia wykonano stosując rozszerzoną metodę elementów skończonych. Wyniki numeryczne porównano z doświadczeniami.
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MobileNet family tailored for Raspberry Pi
PublicationWith the advances in systems-on-a-chip technologies, there is a growing demand to deploy intelligent vision systems on low-cost microcomputers. To address this challenge, much of the recent research has focused on reducing the model size and computational complexity of contemporary convolutional neural networks (CNNs). The state-of-the-art lightweight CNN is MobileNetV3. However, it was designed to achieve a good trade-off between...
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Regularized Local Basis Function Approach to Identification of Nonstationary Processes
PublicationThe problem of identification of nonstationary stochastic processes (systems or signals) is considered and a new class of identification algorithms, combining the basis functions approach with local estimation technique, is described. Unlike the classical basis function estimation schemes, the proposed regularized local basis function estimators are not used to obtain interval approximations of the parameter trajectory, but provide...
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Rengel Cane Sia Doctoral Candidate
PeopleI’m Rengel, born and raised in the Philippines. As an undergraduate I did kinetic modeling on Copper-catalyzed atom transfer radical addition (ATRA). Then I was inspired to do both theoretical and experimental studies, which led me to propose my master’s thesis on Synthesis, Computational, Electrochemical, and Photoconductivity Studies on Naphthalene and its derivatives. This led to a master’s degree in Chemistry in the Mindanao...
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Three-dimensional Web Geographic Information System using web-based technologies
PublicationWeb-based Geographic Information Systems offer a way of delivering geographic information to devices with small computational power, such as smartphones. In recent years, the rapid development of the Web Graphics Library (WebGL) made it possible to create rich interactive applications running inside a web browser and displaying three-dimensional objects using hardware acceleration. This paper presents a three-dimensional Web-GIS...
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Simulation of parallel similarity measure computations for large data sets
PublicationThe paper presents our approach to implementation of similarity measure for big data analysis in a parallel environment. We describe the algorithm for parallelisation of the computations. We provide results from a real MPI application for computations of similarity measures as well as results achieved with our simulation software. The simulation environment allows us to model parallel systems of various sizes with various components...
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Are stabilizing osmolytes preferentially excluded from the protein surface? FTIR and MD studies
PublicationInteractions between osmolytes and hen egg white lysozyme in aqueous solutions were studied by means of FTIR spectroscopy and molecular dynamics. A combination of difference spectra method and chemometric analysis of spectroscopic data was used to determine the number of osmolyte molecules interacting with the protein, and the preferential interaction coefficient in presented systems. Both osmolytes – L-proline and trimethylamine-N-oxide...
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EFFICIENT LINE DETECTION METHOD BASED ON 2D CONVOLUTION FILTER
PublicationThe article proposes an efficient line detection method using a 2D convolution filter. The proposed method was compared with the Hough transform, the most popular method of straight lines detection. The developed method is suitable for local detection of straight lines with a slope from -45˚ to 45˚. Also, it can be used for curve detection which shape is approximated with the short straight sections. The new method is characterized...
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On ''cheap smoothing'' opportunities in identification of time-varying systems
PublicationIn certain applications of nonstationary system identification the model-based decisions can be postponed, i.e. executed with a delay. This allows one to incorporate into the identification process not only the currently available information, but also a number of ''future'' data points. The resulting estimation schemes, which involve smoothing, are not causal. Despite the possible performance improvements, the existing smoothing...
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IEEE Transactions on Computational Intelligence and AI in Games
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International Journal for Computational Civil and Structural Engineering
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International Journal of Computational Materials Science and Engineering
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International Journal of Computational Engineering & Management IJCEM
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Journal of Advanced Computational Intelligence and Intelligent Informatics
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Wiley Interdisciplinary Reviews-Computational Molecular Science
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International Journal of Computational Bioinformatics and In Silico Modeling
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International Journal of Computational Biology and Drug Design
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IEEE-ACM Transactions on Computational Biology and Bioinformatics
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Transactions of the Japan Society for Computational Engineering and Science
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International Journal of Computational Methods and Experimental Measurements
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Jisuan Wuli/Chinese Journal of Computational Physics
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Proceedings of International Conference on Computational Thinking Education
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International Journal for Computational Civil and Structural Engineering
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IEEE Transactions on Emerging Topics in Computational Intelligence
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IEEE Journal on Multiscale and Multiphysics Computational Techniques
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Knowledge-based performance-driven modeling of antenna structures
PublicationThe importance of surrogate modeling techniques in the design of modern antenna systems has been continuously growing over the recent years. This phenomenon is a matter of practical necessity rather than simply a fashion. On the one hand, antenna design procedures rely on full-wave electromagnetic (EM) simulation tools. On the other hand, the computational costs incurred by repetitive EM analyses involved in solving common tasks...
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Robust Parameter Estimation and Output Prediction for Reactive Carrier-Load Nonlinear Dynamic Networks
PublicationIn this paper an extension of on-line model simplification technique for a class of networked systems, namely reactive carrier-load nonlinear dynamic networked system (RCLNDNS), kept within point-parametric model (PPM) framework is addressed. The PPM is utilised to acquire a piece wise constant time-varying parameter linear structure for the RCLNDNS suitable for the on-line one step ahead prediction that may be applied to monitoring...
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A unified approach to the analysis of electric energy and fuel consumption of cars in city traffic
PublicationForecasting fuel and electricity consumption is an important factor determining the direction of changes in road engineering solutions, traffic management, selection of routes for public transport and development more efficient car drive systems. With a reliable and easy-to-use computational tool, it is possible to reduce the consumption of primary energy sources and reduce the emission of toxic compounds in cities. An analysis...
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Semantic OLAP with FluentEditor and Ontorion Semantic Excel Toolchain
PublicationSemantic technologies appear as a step on the way to creating systems capable of representing the physical world as real time computational processes. In this context, the paper presents a toolchain for an ontology based knowledge management system. It consists of the ontology editor, FluentEditor and the distributed knowledge representation system, Ontorion. FluentEditor is a comprehensive tool for editing and manipulating complex...
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Lessons learned from developing an Industry 4.0 mobile process management system supported by Artificial Intelligence
PublicationResearch, development and innovation (RDI) projects are undertaken in order to improve existing, or develop new, more efficient products and services. Moreover, the goal of innovation is to produce new knowledge through research, and disseminating it through education and training. In this line of thinking, this paper reports and discusses the lessons learned from the undertaken project, regarding three areas: machine learning...
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Semi complex navigation with an active optical gesture sensor
PublicationThis paper presents the methods of diversified touchless interactions between a user and a mobile platform utilizing the optical gesture sensor. The sensor uses 8 photodiodes to measure the reflected light in the active mode (using embedded LEDs) or it measures shadows caused by fingers in the passive mode. Several algorithms were implemented: automatic mode switching, adaptive illumination level compensation, resolution improvements...
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Aerodynamic Shape Optimization for Delaying Dynamic Stall of Airfoils by Regression Kriging
PublicationThe phenomenon of dynamic stall produce adverse aerodynamic loading which can adversely affect the structural strength and life of aerodynamic systems. Aerodynamic shape optimization (ASO) provides an effective approach for delaying and mitigating dynamic stall characteristics without the addition of auxiliary system. ASO, however, requires multiple evaluations time-consuming computational fluid dynamics models. Metamodel-based...
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Simulation-Driven Antenna Modeling by Means of Response Features and Confined Domains of Reduced Dimensionality
PublicationIn recent years, the employment of full-wave electromagnetic (EM) simulation tools has become imperative in the antenna design mainly for reliability reasons. While the CPU cost of a single simulation is rarely an issue, the computational overhead associated with EM-driven tasks that require massive EM analyses may become a serious bottleneck. A widely used approach to lessen this cost is the employment of surrogate models, especially...
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Local basis function method for identification of nonstationary systems
PublicationThis thesis is focused on the basis function method for the identification of nonstationary processes. The first chapter describes a group of models that can be identified using the basis function method. The next chapter describes the basic version of the basis function method, including its algebraic and statistical properties. The following section introduces the local basis function (LBF) method: its properties are described...
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Computer-Aided Detection of Hypertensive Retinopathy Using Depth-Wise Separable CNN
PublicationHypertensive retinopathy (HR) is a retinal disorder, linked to high blood pressure. The incidence of HR-eye illness is directly related to the severity and duration of hypertension. It is critical to identify and analyze HR at an early stage to avoid blindness. There are presently only a few computer-aided systems (CADx) designed to recognize HR. Instead, those systems concentrated on collecting features from many retinopathy-related...
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Combined computational-experimental approach to predict blood–brain barrier (BBB) permeation based on “green” salting-out thin layer chromatography supported by simple molecular descriptors
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Dynamic GPU power capping with online performance tracing for energy efficient GPU computing using DEPO tool
PublicationGPU accelerators have become essential to the recent advance in computational power of high- performance computing (HPC) systems. Current HPC systems’ reaching an approximately 20–30 mega-watt power demand has resulted in increasing CO2 emissions, energy costs and necessitate increasingly complex cooling systems. This is a very real challenge. To address this, new mechanisms of software power control could be employed. In this...