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Search results for: LARGE-SCALE DFT
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Large-scale DFT calculations in implicit solvent-A case study on the T4 lysozyme L99A/M102Q protein
PublicationW ostatnich latach zaproponowano szereg modeli typu implicit solvent, ktore bazują na bezpośrednim rozwiązaniu niejednorodnego równania Poissona w przestrzeni rzeczywistej. Modele te charakteryzują się elegancją, ponieważ wnęka, w której umieszczona jest molekuła substancji rozpuszczanej zdefiniowana jest bezpośrednio w funkcji gęstości elektronowej, a rozkład ładunku jest w sposób samouzgodniony polaryzowany dzięki reakcji dielektryka,...
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Large-Scale Assessments in Education
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A Concept of Modeling and Optimization of Applications in Large Scale Systems
PublicationThe chapter presents the idea that includes modeling and subsequent optimization of application execution on large scale parallel and distributed systems. The model considers performance, reliability and power consumption. It should allow easy modeling of various classes of applications while reflecting key parameters of both the applications and two classes of target systems: clusters and volunteer based systems. The chapter presents...
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Improving the Survivability of Carrier Networks to Large-Scale Disasters
PublicationThis chapter is dedicated to the description of methods aiming to improve the survivability of carrier networks to large-scale disasters. First, a disaster classification and associated risk analysis is described, and the disaster-aware submarine fibre-optic cable deployment is addressed aiming to minimize the expected costs in case of natural disasters. Then, the chapter addresses the improvement of the network connectivity resilience...
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Multi-agent large-scale parallel crowd simulation
PublicationThis paper presents design, implementation and performance results of a new modular, parallel, agent-based and large scale crowd simulation environment. A parallel application, implemented with C and MPI, was implemented and run in this parallel environment for simulation and visualization of an evacuation scenario at Gdansk University of Technology, Poland and further in the area of districts of Gdansk. The application uses a...
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Improving Effectiveness of SVM Classifier for Large Scale Data
PublicationThe paper presents our approach to SVM implementation in parallel environment. We describe how classification learning and prediction phases were pararellised. We also propose a method for limiting the number of necessary computations during classifier construction. Our method, named one-vs-near, is an extension of typical one-vs-all approach that is used for binary classifiers to work with multiclass problems. We perform experiments...
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Profitable areas in large-scale FTTH network optimization
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Simulation of Parallel Applications on Large-scale Distributed Systems
PublicationThis chapter has a form of a review article in the field of simulating High-Performance Computing systems. We justify the need for a new versatile simulator considering heterogeneity, energy efficiency and reliability of HPC systems. We sketch the problems that need to be solved by such simulator and rationalize using discrete-event simulation for this purpose. Based on a review of existing discrete-event HPC simulation solutions...
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Knowledge representation and acquisition for large-scale semantic memory
PublicationPozyskiwanie i reprezentacja pojęć jest koniecznym warunkiem doimplementacji rozumienia w systemach kognitywnych.Gry słowne są dają interesujące możliwości pozyskiwaniawiedzy do komputerowego modelu pamięci semantycznej. W artykuleprzedstawiono podstawy architektury pamięci semantycznej orazwyniki działającego na niej algorytmu wyszukiwania kontekstowego,który użyty został do realizacji gry w 20 pytań.
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Planning and Management of Large Scale Urban Development Projects
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Scanning the special section on technologies of large scale and complex systems
PublicationArtykuł wprowadza do Specjalnej Sekcji pt. Technologies for large scale and complex systems, zamieszczonej w czasopiśmie Annual Reviews in Control, Vol. 32, Issue 1 wydanego w kwietniu 2008. Specjalna sekcja zawiera artykuły będące rozszerzeniem referatów plenarnych wygłoszonych podczas 11th IFAC Symposium on Large Scale Complex Systems, które odbyło się w Gdańsku, Lipiec 2007r.
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IEEE TRANSACTIONS ON VERY LARGE SCALE INTEGRATION (VLSI) SYSTEMS
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Thresholding Strategies for Large Scale Multi-Label Text Classifier
PublicationThis article presents an overview of thresholding methods for labeling objects given a list of candidate classes’ scores. These methods are essential to multi-label classification tasks, especially when there are a lot of classes which are organized in a hierarchy. Presented techniques are evaluated using the state-of-the-art dedicated classifier on medium scale text corpora extracted from Wikipedia. Obtained results show that the...
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Modeling of Performance, Reliability and Energy Efficiency in Large-Scale Computational Environment
PublicationLarge scale of complexity of distributed computational systems imposes special challanges for prediction of quality in such systems.Existing quality models for lower-scale systems include functionality,performance,reliability,flexibility and usability.Among these attributes,performance and reliability have a particular significance to the large-scale systems computing quality modeling due to their strong dependence on the system...
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Modeling of Performance, Reliability and Energy Efficiency in Large-Scale Computational Environments
PublicationLarge scale of complexity of distributed computational systems imposes special challenges for prediction of quality in such systems. Existing quality models for lower-scale systems include functionality, performance, reliability, flexibility and usability. Among these attributes, performance and reliability have a particular significance to the large-scale systems computing quality modeling due to their strong dependence on the...
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Technique for reducing erosion in large-scale circulating fluidized bed units
PublicationThis paper presents a methodology, implemented for a real industrial-scale circulating fluidized bed boiler, to mitigate the risk of heating surfaces exposed to an intensive particle erosion process. For this purpose, a machine learning algorithm was developed to support the boiler reliability management process. Having a tool that can help mitigate the risk of uncontrolled power unit failure without expensive and technically complex...
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Analysis of results of large-scale multimodal biometric identity verification experiment
PublicationAn analysis of a large set of biometric data obtained during the enrolment and the verification phase in an experimental biometric system installed in bank branches is presented. Subjective opinions of bank clients and of bank tellers were also surveyed concerning the studied biometric methods in order to discover and to explore relations emerging from the obtained multimodal dataset. First, data acquisition and identity verification...
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Technical fabrics in costruction of large scale roofs - numerical and experimental aspects
PublicationDesigning and construction of textile hanging roofs is the challenging subject for engineers. This type of structure needs geometrically and very often also physically non-linear calculations. Due to different behaviour of two families of threads (warp and weft), which during deformation can change the angle between their directions, they require special constitutive modelling. Also the loading of hanging roofs is very special....
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iTVP: large-scale content distribution for live and on-demand video services
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Comparability of Raman Spectroscopic Configurations: A Large Scale Cross-Laboratory Study
PublicationThe variable configuration of Raman spectroscopic platforms is one of the major obstacles in establishing Raman spectroscopy as a valuable physicochemical method within real-world scenarios such as clinical diagnostics. For such real world applications like diagnostic classification, the models should ideally be usable to predict data from different setups. Whether it is done by training a rugged model with data from many setups...
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Hydrological responses to large-scale changes in land cover of river watershed: Review
PublicationDespite many studies on the hydrological responses to forest cover changes in micro and mesoscale watersheds, the hydrological responses to forest cover alterations and associated mechanisms through the large spatial scale of the river watershed have not been comprehensively perceived. This paper thus reviews a wide range of available scientific evidence concerning the impacts exerted by the forest removal on precipitation, water...
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Semantic URL Analytics to Support Efficient Annotation of Large Scale Web Archives
PublicationLong-term Web archives comprise Web documents gathered over longer time periods and can easily reach hundreds of terabytes in size. Semantic annotations such as named entities can facilitate intelligent access to the Web archive data. However, the annotation of the entire archive content on this scale is often infeasible. The most efficient way to access the documents within Web archives is provided through their URLs, which are...
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A survey of strategies for communication networks to protect against large-scale natural disasters
PublicationRecent natural disasters have revealed that emergency networks presently cannot disseminate the necessary disaster information, making it difficult to deploy and coordinate relief operations. These disasters have reinforced the knowledge that telecommunication networks constitute a critical infrastructure of our society, and the urgency in establishing protection mechanisms against disaster-based disruptions. Hence, it is important...
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MERPSYS: An environment for simulation of parallel application execution on large scale HPC systems
PublicationIn 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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Indoor accelerated controlled corrosion degradation test of small- and large-scale specimens
PublicationThe work presented here is a part of a long-term project analysing the structural behaviour of ageing marine structures. An accelerated corrosion degradation set-up was developed to reproduce corroded marine structural specimens of different degrees of degradation, controlling various natural factors, i.e., temperature, oxygen content, salinity, and flow velocity. The nine stiffened plates of 1.2 m length and 30 small scale specimens...
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Characteristics of calcium carbonate microparticles fabricated by the emulsion-emulsion technique in a large scale
PublicationReaktor zbudowany z dwóch współosiowych kolumn z mieszaniem w kolumnie wewnętrznej zastosowano do strącania cząstek węglanu wapnia metodą mieszania dwóch emulsji woda w oleju zawierających chlorek wapnia oraz węglan sodu jako reagenty. Zbadano wpływ częstości obrotów mieszadła, stężenia reagentów oraz czasu starzenia na wielkość cząstek stałych.
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EPILEPTIC BEHAVIOR WITH A DISTINGUISHED PREICTAL PERIOD IN A LARGE-SCALE NEURAL NETWORK MODEL
PublicationWe present a neural network model capable of reproducing focal epileptic behavior. An important property of our model is the distinguished preictal state. This novel feature may shed light on the pathologi-cal mechanisms of seizure generation and, in perspective, help develop new therapeutic strategies to manage refractory partial epilepsy.
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Modeling an Industrial Revolution: How to Manage Large-Scale, Complex IoT Ecosystems?
PublicationAdvancements around the modern digital industry gave birth to a number of closely interrelated concepts: in the age of the Internet of Things (IoT), System of Systems (SoS), Cyber-Physical Systems (CPS), Digital Twins and the fourth industrial revolution, everything revolves around the issue of designing well-understood, sound and secure complex systems while providing maximum flexibility, autonomy and dynamics. The aim of the...
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Accelerated large scale test set-up design in natural corrosion marine environment
PublicationThe standards for conducting small-scale specimen tests are well developed, but there is a lack of direct guidelines for conducting corrosion tests for large-scale specimens. The objective here is to develop a methodology which may be used in designing an accelerated corrosion test of large-scale structural components subjected to a natural corrosion marine environment. Different factors influencing corrosion degradation of steel...
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Influence of heterogeneous air entry pressure on large scale unsaturated flow in porous media
PublicationThe paper presents numerical simulations of water infiltration in unsaturated porous media containing coarse-textured inclusions embed- ded in fine-textured background material. The calculations are performed using the two-phase model for water and air flow and a simplified model known as the Richards equation. It is shown that the Richards equation cannot correctly describe flow in the presence of heterogeneities. How- ever, its...
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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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Using LSTM networks to predict engine condition on large scale data processing framework
PublicationAs the Internet of Things technology is developing rapidly, companies have an ability to observe the health of engine components and constructed systems through collecting signals from sensors. According to output of IoT sensors, companies can build systems to predict the conditions of components. Practically the components are required to be maintained or replaced before the end of life in performing their assigned task. Predicting...
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ARUZ — Large-scale, massively parallel FPGA-based analyzer of real complex systems
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Using LSTM networks to predict engine condition on large scale data processing framework
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Large-scale Rowe cell experimental study on coefficient of consolidation of coal mine tailings
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Investigation on water infiltration and water content changes in a large-scale experimental test dike
PublicationThe paper presents result of series of experiments made within the DREDGDIKES project, performed on a test dike built from composite soil. The composite is produced by mixing fly ash (by-product of energetics) with dredged material (sand) taken from the mouth of The Vistula river. The test dike, located near Gdansk in Poland, was subjected to hydraulic load in several flooding time scenarios and the unsaturated unsteady flow was...
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Large-scale multimedia content delivery over optical networks for interactive TV services
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Multi-agent large-scale parallel crowd simulation with NVRAM-based distributed cache
PublicationThis paper presents the architecture, main components and performance results for a parallel and modu-lar agent-based environment aimed at crowd simulation. The environment allows to simulate thousandsor more agents on maps of square kilometers or more, features a modular design and incorporates non-volatile RAM (NVRAM) with a fail-safe mode that can be activated to allow to continue computationsfrom a recently analyzed state in...
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Qualitative evaluation of distributed clinical systems supporting research teams working on large-scale data
PublicationInthispaper,fivecontemporaryscalablesystemstosupportmedicalresearchteams are presented. Their functionalities extend from heterogeneous unstructured data acquisition through large-scale data storing, to on-the-fly analyzing by using robust methods. Such kinds of systems can be useful in the development of new medical procedures and recommendation rules for decision support systems. A short description of each of them is provided....
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An extended basis inexact shift–invert Lanczos for the efficient solution of large-scale generalized eigenproblems
PublicationThis paper proposes a technique, based on the Inexact Shift–Invert Lanczos (ISIL) method with Inexact Jacobi Orthogonal Component Correction (IJOCC) refinement, and a preconditioned conjugate-gradient (PCG) linear solver with multilevel preconditioner, for finding several eigenvalues for generalized symmetric eigenproblems. Several eigenvalues are found by constructing (with the ISIL process) an extended projection basis. Presented...
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Towards large-scale application of nanoporous materials in membranes for separation of energy-relevant gas mixtures
PublicationMembranes containing nanoporous materials (such as zeolites, metal–organic materials and 2D materials such as graphene derivatives) may allow more efficient separation of gas mixtures relevant to emerging energy technologies. For example, such membranes could be applied in the separation of gases containing mixtures of carbon dioxide (CO2) and hydrogen (H2). However, these membranes are currently at a relatively low technology...
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Design and implementation of an illumination system to mimic skyglow at ecosystem level in a large‐scale lake enclosure facility
PublicationLight pollution is an environmental stressor of global extent that is growing exponentially in area and intensity. Artificial skyglow, a form of light pollution with large range, is hypothesized to have environmental impact at ecosystem level. However, testing the impact of skyglow at large scales and in a controlled fashion under in situ conditions has remained elusive so far. Here we present the first experimental setup to mimic...
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The Staged Combustion of Meat-and-Bone Meal:The Characteristics of Conversion Sub-processes and Large-Scale Process Outputs
Publicationt Organic waste has been playing an increasingly important role in the energy market as those that may support the economies in pursuing towards decarbonization by increasing the share of renewables in the overall energy balance. In this group of alternative fuels, meat-and-bone meals being a post-production waste of the steadily developing meat industry, constitute a considerable proportion. Though they are rich in minerals, their...
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Large-Scale and Highly Efficient Production of Ultrafine PVA Fibers by Electro-Centrifugal Spinning for NH3 Adsorption
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Bioreactor shoot cultures of Rhododendron tomentosum (Ledum palustre) for a large-scale production of bioactive volatile compounds
PublicationRhododendron tomentosum Harmaja (Ledum palustre), a peat bog plant from Ericaceae family, has been used in traditional medicine as the anti-arthritis agent. Although modern researches confirm its anti-inflammatory properties, it remains threatened by habitat degradation and possibilities to collect this endangered species from its natural environment for further biological activity studies are limited. Therefore, R. tomentosum...
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Modeling two phase flow in large scale fractured porous media with an extended multiple interacting continua method
PublicationWe present a two phase flow conceptual model, the corresponding simulator (2pMINC) and a workflow for large-scale fractured reservoirs, based on a continuum fracture approach which uses the multiple interacting continua (MINC) method complemented with an improved upscaling technique. The complex transient behavior of the flow processes in fractured porous media is captured by subgridding the coarse blocks in nested volume elements...
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Large-Scale and Low-Cost Motivation of Nitrogen-Doped Commercial Activated Carbon for High-Energy-Density Supercapacitor
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Large-scale converting waste coffee grounds into functional carbon materials as high-efficient adsorbent for organic dyes
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Large scale complementary solar and wind energy sources coupled with pumped-storage hydroelectricity for Lower Silesia (Poland)
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Distributed System for Monitoring of the Large Scale Infrastructure Structures Based on Analysis of Changes of its Static and Dynamic Properties
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