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Search results for: PHYSICS-BASED MODELS
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Fundamentals of Physics-Based Surrogate Modeling
PublicationChapter 1 was focused on data-driven (or approximation-based) modeling methods. The second major class of surrogates are physics-based models outlined in this chapter. Although they are not as popular, their importance is growing because of the challenges related to construction and handling of approximation surrogates for many real-world problems. The high cost of evaluating computational models, nonlinearity of system responses,...
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Physics-Based Coarse-Grained Modeling in Bio- and Nanochemistry
PublicationCoarse-grained approaches, in which groups of atoms are represented by single interaction sites, are very important in biological and materials sciences because they enable us to cover the size- and time-scales by several orders of magnitude larger than those available all-atom simulations, while largely keeping the details of the systems studied. The coarse-grained approaches differ by the scheme of reduction and by the origin...
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Path integrals formulations leading to propagator evaluation for coupled linear physics in large geometric models
PublicationReformulating linear physics using second kind Fredholm equations is very standard practice. One of the straightforward consequences is that the resulting integrals can be expanded (when the Neumann expansion converges) and probabilized, leading to path statistics and Monte Carlo estimations. An essential feature of these algorithms is that they also allow to estimate propagators for all types of sources, including initial conditions....
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Polyacrylamide‐based phantoms as tissue substitute in experimental radiation physics
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Evolution of physics-based methodology for exploring the conformational energy landscape of proteins
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Performance of protein-structure predictions with the physics-based UNRES force field in CASP11
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Expedited constrained multi-objective aerodynamic shape optimization by means of physics-based surrogates
PublicationIn the paper, computationally efficient constrained multi-objective design optimization of transonic airfoil profiles is considered. Our methodology focuses on fixed-lift design aimed at finding the best possible trade-offs between the two objectives: minimization of the drag coefficient and maximization of the pitching moment. The algorithm presented here exploits the surrogate-based optimization principle, variable-fidelity computational...
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Knowledge-based models of the organization transformation
PublicationW artykule omówiono zastosowanie modeli opartych na wiedzy do wspomagania transformacji organizacji. Organizacje wytwarzające systemy informatyczne mogą wykorzystywać modele oparte na wiedzy (do gromadzenia danych o procesach transformacji i wspomagać te procesy) w procesach zmian zgodnych ze standardami CMMI. W artykule omówiono metody modelowania i wytwarzania takich baz jak również wskazano na ich przydatność dla zróżnicowanych...
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Rapid multi-objective design optimisation of compact microwave couplers by means of physics-based surrogates
PublicationThe authors introduce a methodology for fast multi-objective design optimisation of miniaturised microwave couplers. The approach exploits the surrogate-based optimisation paradigm with an underlying low-fidelity model constructed from an equivalent circuit of the structure under consideration, corrected through implicit and frequency space mapping. A fast prediction tool obtained this way is subsequently optimised by a multi-objective...
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Expedited Multi-Objective Design Optimization of Miniaturized Microwave Structures Using Physics-Based Surrogates
PublicationIn this paper, a methodology for fast multi-objective design optimization of compact microwave circuits is presented. Our approach exploits an equivalent circuit model of the structure under consideration, corrected through implicit and frequency space mapping, then optimized by a multi-objective evolutionary algorithm. The correction/optimization of the surrogate is iterated by design space confinement and segmentation based on...
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UNRES server for physics-based coarse-grained simulations and prediction of protein structure, dynamics and thermodynamics
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Implementation of a Serial Replica Exchange Method in a Physics-Based United-Residue (UNRES) Force Field
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Physics-based protein-structure prediction using a hierarchical protocol based on the UNRES force field: Assessment in two blind tests
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UNRES-GPU for Physics-Based Coarse-Grained Simulations of Protein Systems at Biological Time- and Size-Scales
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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Project Management in Enterprises: IT Implementation Based on Fuzzy Models
PublicationW pracy analizuje się problem zastosowania metod zarządzania wiedzą oraz metod sztucznej inteligencji w zarządzaniu budżetem i planem realizacji projektów informatycznych. W pierwszej części wskazuje się na problemy związane z zarządzaniem projektami wytwarzania oprogramowania w zakresie planowania i bieżącego sterowania zarówno procesem wytwórczym, jak i zespołem programistów. Po omówieniu pożądanych zmian w metodologii zarządzania,...
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Development and validation of a HAZOP-based inspection of UML models
PublicationArtykuł prezentuje technikę inspekcji ukierunkowaną na wykrywanie defektów w modelach UML. Technika ta została opracowana poprzez adaptację HAZOP - metody szeroko stosowanej w dziedzinie systemów związanych z bezpieczeństwem. Wykorzystano podstawową koncepcję HAZOP (zastosowanie ogólnych słów kluczowych do wykrywania pełnej listy anomalii związanych z danym fragmentem modelu) do systematycznego wygenerowania list kontrolnych dla...
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Extension of the Unres Package for Physics-Based Coarse-Grained Simulations of Proteins and Protein Complexes to Very Large Systems
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Evaluation of Foundation Input Motions Based on Kinematic Interaction Models
PublicationThe present study was designed to demonstrate the importance of baseslab averaging and embedment effects on the foundation-level input motions due to earthquake excitations. Evaluation of foundation-level input motions based on the most commonly adopted kinematic interaction models are presented. In order to conduct this investigation, original records of horizontal accelerations for two casestudy buildings were utilized. Computed...
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Examining Quality of Hand Segmentation Based on Gaussian Mixture Models
PublicationResults of examination of various implementations of Gaussian mix-ture models are presented in the paper. Two of the implementations belonged to the Intel’s OpenCV 2.4.3 library and utilized Background Subtractor MOG and Background Subtractor MOG2 classes. The third implementation presented in the paper was created by the authors and extended Background Subtractor MOG2 with the possibility of operating on the scaled version of...
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Evaluation of foundation input motions based on kinematic interaction models
PublicationThe present study was designed to demonstrate the importance of base-slab averaging and embedment effects on the foundation-level input motions due to earthquake excitations. Evaluation of foundation-level input motions based on the most commonly adopted kinematic interaction models are presented. In order to conduct this investigation, original records of horizontal accelerations for two case-study buildings were utilized. Computed...
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Neural networks based NARX models in nonlinear adaptive control
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Knowledge management based on formal models of software project management
PublicationCelem pracy jest prezentacja kompletnej koncepcji systemów wspierania decyzji w zarządzaniu projektami informatycznymi. Pomysł oparty jest na dynamicznych i samo nastrajających się modelach regułowo-rozmytych. W szczególności proponowane podejście wykorzystuje koncepcje metodologii opartych wiedzy oraz teorii układów dynamicznych oraz zbiorów rozmytych. Zastosowania tego opracowania znajdują się w obszarze wytwarzania produktów...
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Evaluation of Foundation Input Motions Based on Kinematic Interaction Models
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Properties of control systems based on nonlinear models of the induction motor.
PublicationW artykule przedstawiono zastosowanie obserwatora prędkości kątowej wirnika silnika indukcyjnego w nielinowych układach regulacji. Porównano dwa typy układów sterowania multiskalarnego. Przedstawiono przypadek niestabilnej pracy układu nieliniowego sterowania za pomocą symulacji komputerowej.W artykule przedstawiono dwa układy sterowania silnikiem asynchronicznym klatkowym, zasilanym z falownika napięcia, oparte na modelu multiskalarnym,...
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Spatiotemporal random field models in vibration-based diagnosis of structures.
PublicationW pracy przedstawiono nowe podejscie do diagnostyki dynamicznejkonstrukcji w zakresie modelowania stochastycznego.Glownymzalozeniem jest losowosc parametrow konstrukcji(wlasnoscimaterialowe,geometryczne i warunki brzegowe}.Wlasnosci te samodelowane jako czasoprzestrzenne pola losowe drugiego rzedu.Zdefiniowano stochastyczne indeksy uszkodzenia konstrukcji.
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Detecting evoked potentials with SVD and ICA BASED statistical models
PublicationDokonano porównania rezultatów detekcji potencjałów wywołanych przy zastosowaniu metod statystycznych SVD i ICA. Jako dane wejściowe użyto dane wynikowe addytywnego modelu aktywności elektrycznej mózgu.
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Empirical analysis of tree-based classification models for customer churn prediction
PublicationCustomer churn is a vital and reoccurring problem facing most business industries, particularly the telecommunications industry. Considering the fierce competition among telecommunications firms and the high expenses of attracting and gaining new subscribers, keeping existing loyal subscribers becomes crucial. Early prediction of disgruntled subscribers can assist telecommunications firms in identifying the reasons for churn and...
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Properties of sensorless control systems based on multiscalar models of the induction motor
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Optimization of river network representation data models for web-based systems
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Properties of sensorless control systems based on multiscalar models of the induction motors
PublicationCelem artykułu jest opracowanie ogólnych postaci multiskalarnych modeli silnika indukcyjnego i zaprezentowanie właściwości bezczujnikowych układów regulacji opartych na takich modelach. Poprzednio prezentowane modele multiskalarne silnika indukcyjnego oparte na wykorzystaniu wektorów prądu stojana i strumienia wirnika zostły uogólnione jako model typu 1. Nowy model typu 2 zdefiniowany został dla wektora prądu stojana i innego wektora...
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Development of Physics-Based Energy Functions that Predict Medium-Resolution Structures for Proteins of the α, β, and α/β Structural Classes
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Efficient knowledge-based optimization of expensive computational models using adaptive response correction
PublicationComputer simulation has become an indispensable tool in engineering design as they allow an accurate evaluation of the system performance. This is critical in order to carry out the design process in a reliable manner without costly prototyping and physical measurements. However, high-fidelity computer simulations are computationally expensive. This turns to be a fundamental bottleneck when it comes to design automation using numerical...
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Comparison of Traffic Flow Models with Real Traffic Data Based on a Quantitative Assessment
PublicationThe fundamental relationship of traffic flow and bivariate relations between speed and flow, speed and density, and flow and density are of great importance in transportation engineering. Fundamental relationship models may be applied to assess and forecast traffic conditions at uninterrupted traffic flow facilities. The objective of the article was to analyze and compare existing models of the fundamental relationship. To that...
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Regional quality contests based on business excellence models – Pomeranian case study
PublicationCompetitions based on models of organizational excellence have significant potential. Organizations participating in these initiatives have the chance not only to get marketing benefits, but also gain comprehensive knowledge about their management systems. Moreover, thanks to the structure of models of excellence an organization can plan in detail the improvement activities in its main processes. The aim of the authors is to analyze...
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A new method of presosns identification based on comparative analysis of 3D face models
PublicationThe article presents the use of modern close range photogrammetry for possessing highly accurate 3D models of the human face (including the ears). Modern methods used to obtain precise data describing the construction of a human face, and even the whole human body, should allow to get finished measurement material in a very short time. Those features belong to the optical scanning technology. Comparative analysis of models of the...
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What Can Be Observed Locally? Round based models for quantum distributed computing
PublicationW pracy rozważono zagadnienie lokalności w kontekście informacji kwantowej w obliczeniach rozproszonych. Rozważono dwa kwantowe rozszerzenia modelu LOCAL Liniala, otrzymane poprzez: (1) inicjalizację systemu w kwantowym stanie splątanym, (2) zastosowanie kwantowych kanałów komunikacyjnych. Dla obydwu typów rozszerzeń zaproponowano przykłady problemów, których złożoność rundowa ulega redukcji w porównaniu do oryginalnego modelu...
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LDRAW based renders of LEGO bricks moving on a conveyor belt with extracted models
Open Research DataThe set contains renders of LEGO bricks moving on a white conveyor belt. The images were prepared for training neural network for recognition of LEGO bricks. For each brick starting position, alignment and color was selected (simulating the brick falling down on the conveyour belt) and than 10 images was created while the brick was moved across the...
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Physics-Based Potentials for the Coupling between Backbone- and Side-Chain-Local Conformational States in the United Residue (UNRES) Force Field for Protein Simulations
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Selection of AHI + SC Hybrid Storage Based on Mathematical Models and Load Variation Characteristics
PublicationThe article deals with the design of a hybrid storage consisting of Aqueous Hybrid Ion battery (AHI) and supercapacitor (SC) modules. The selection of components is based on the knowledge of the load profile of the storage and the AHI battery and supercapacitor models. The paper presents the method of selecting components of the storage made of AHI batteries and supercapacitor modules The article includes an example of the hybrid...
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Optimization of briquetting technology of fine-grained metallurgical materials based on statistical models of compressibility
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Simple Physics-Based Analytical Formulas for the Potentials of Mean Force for the Interaction of Amino Acid Side Chains in Water. IV. Pairs of Different Hydrophobic Side Chains
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Rapid Design Centering of Multi-Band Antennas Using Knowledge-Based Inverse Models and Response Features
PublicationAccounting for manufacturing tolerances as well as uncertainties concerning operating conditions and material parameters is one of the important yet often neglected aspects of antenna development. Appropriate quantification of uncertainties allows for estimating the fabrication yield but also to carry out robust design (e.g., yield maximization). For reliability reasons, statistical analysis should be executed at the accuracy level...
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Towards Designing an Innovative Industrial Fan: Developing Regression and Neural Models Based on Remote Mass Measurements
PublicationThis article presents the process of the construction and testing a remote, fully autonomous system for measuring the operational parameters of fans. The measurement results obtained made it possible to create and verify mathematical models using linear regression and neural networks. The process was implemented as part of the first stage of an innovative project. The article presents detailed steps of constructing a system to...
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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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Selected mice models based on APP, MAPT and presenilin gene mutations in research on the pathogenesis of Alzheimer’s disease
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Discrete-time predictive control design based on overparameterized delay-plant models and identified cancellation order.
PublicationPraca dotyczy uogólnionego sterowania predykcyjnego (GPC) obiektami opisanymi dyskretnoczasowymi modelami CARIMA z uproszczeniami (nieminimalnych, przeparametryzowanych) oraz o niezerowym opóźnieniu transportowym. Optymalne sterowanie predykcyjne wyznacza się na podstawie minimalnowariancyjnego oszacowania przyszłej odpowiedzi sterowanego obiektu. Poprzez analizę warunków rozwiązywalności zadania syntezy sterownika GPC, sformułowano...
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Improving platelet‐RNA‐based diagnostics: a comparative analysis of machine learning models for cancer detection and multiclass classification
PublicationLiquid biopsy demonstrates excellent potential in patient management by providing a minimally invasive and cost-effective approach to detecting and monitoring cancer, even at its early stages. Due to the complexity of liquid biopsy data, machine-learning techniques are increasingly gaining attention in sample analysis, especially for multidimensional data such as RNA expression profiles. Yet, there is no agreement in the community...
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Efficient Surrogate Modeling and Design Optimization of Compact Integrated On-Chip Inductors Based on Multi-Fidelity EM Simulation Models
PublicationHigh-performance and small-size on-chip inductors play a critical role in contemporary radio-frequency integrated circuits. This work presents a reliable surrogate modeling technique combining low-fidelity EM simulation models, response surface approximations based on kriging interpolation, and space mapping technology. The reported method is useful for the development of broadband and highly accurate data-driven models of integrated...
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A comparative analysis of the effectiveness of corporate bankruptcy prediction models based on financial ratios: Evidence from Colombia, 2008 to 2015
PublicationLogit and discriminant analyses have been used for corporate bankruptcy prediction in several studies since the last century. In recent years there have been dozens of studies comparing the several models available, including the ones mentioned above and also probit, artificial neural networks, support vector machines, among others. For the first time for Colombia, this paper presents a comparative analysis of the effectiveness...
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Fouling mechanisms in anoxic-aerobic sequencing batch membrane bioreactor based on adapted Hermia models and main foulant characteristics
PublicationVarious derivatives of Hermia models (complete pore blocking, intermediate pore blocking, cake layer formation, and standard pore blocking) and different assessments of foulant characteristics have long been used to determine the membrane fouling mechanisms. Accordingly, this study aims to adapt Hermia models and their combination according to the operating conditions of an anoxic-aerobic sequencing batch membrane bioreactor (A/O-SBMBR)....