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Wyniki wyszukiwania dla: IN SILICO METABOLISM PREDICTION
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TOWARDS EXPLAINABLE CLASSIFIERS USING THE COUNTERFACTUAL APPROACH - GLOBAL EXPLANATIONS FOR DISCOVERING BIAS IN DATA
PublikacjaThe paper proposes summarized attribution-based post-hoc explanations for the detection and identification of bias in data. A global explanation is proposed, and a step-by-step framework on how to detect and test bias is introduced. Since removing unwanted bias is often a complicated and tremendous task, it is automatically inserted, instead. Then, the bias is evaluated with the proposed counterfactual approach. The obtained results...
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Electrochemistry/mass spectrometry (EC/MS) for fast generation and identification of novel reactive metabolites of two unsymmetrical bisacridines with anticancer activity.
PublikacjaThe development of a new drug requires knowledge about its metabolic fate in a living organism, regarding the comprehensive assessment of both drug therapeutic activity and toxicity profiles. Electrochemistry (EC) coupled with mass spectrometry (MS) is an efficient tool for predicting the phase I metabolism of redox-sensitive drugs. In particular, EC/MS represents a clear advantage for the generation of reactive drug transformation...
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The role of glucuronidation in drug resistance
PublikacjaThe final therapeutic effect of a drug candidate, which is directed to a specific molecular target strongly depends on its absorption, distribution, metabolism and excretion (ADME). The disruption of at least one element of ADME may result in serious drug resistance. In this work we described the role of one element of this resistance: phase II metabolism with UDP-glucuronosyltransferases (UGTs). UGT function is the transformation...
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An algorithm for selecting a machine learning method for predicting nitrous oxide emissions in municipal wastewater treatment plants
PublikacjaThis study presents an advanced algorithm for selecting machine learning (ML) models for nitrous oxide (N2O) emission prediction in wastewater treatment plants (WWTPs) employing the activated sludge process. The examined ML models comprised multivariate adaptive regression spline (MARS), support vector machines (SVM), and extreme gradient boosting (XGboost). The study explores the concept that involves new criteria to select the...
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Machine learning-based seismic response and performance assessment of reinforced concrete buildings
PublikacjaComplexity and unpredictability nature of earthquakes makes them unique external loads that there is no unique formula used for the prediction of seismic responses. Hence, this research aims to implement the most well-known Machine Learning (ML) methods in Python software to propose a prediction model for seismic response and performance assessment of Reinforced Concrete Moment-Resisting Frames (RC MRFs). To prepare 92,400 data...
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Andrzej Chybicki dr inż.
OsobyZ wykształcenia informatyk, absolwent Wydziału Elektroniki, Telekomunikacji i Informatyki Politechniki Gdańskiej, doktor nauk technicznych w dziedzinie informatyka specjalizujący się w przetwarzaniau danych przestrzennych w rozproszonych systemach informatycznych. Ukierunkowany na wykorzystywanie osiągnięć i wiedzy zakresu prowadzonych badań w przemyśle. Współpracował z szeregiem podmiotów przemysłu informatycznego, geodezyjnego...
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An annotated timeline of sensitivity analysis
PublikacjaThe last half a century has seen spectacular progresses in computing and modelling in a variety of fields, applications, and methodologies. Over the same period, a cross-disciplinary field known as sensitivity analysis has been making its first steps, evolving from the design of experiments for laboratory or field studies, also called ‘in-vivo’, to the so-called experiments ‘in-silico’. Some disciplines were quick to realize the...
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Chiral Pyrazolo[4,3-e][1,2,4]triazine Sulfonamides—Their Biological Activity, Lipophilicity, Protein Affinity, and Metabolic Transformations
PublikacjaReferring to our previous laboratory results related to the tyrosinase and urease inhibition by pyrazolo[4,3-e][1,2,4]triazine sulfonamides, we examined here in silico the mechanism of action at the molecular level of the investigated pyrazolotriazine sulfonamides by the molecular docking method. The studied compounds being evaluated for their cytotoxic effect against cancer cell lines (MCF-7, K-562) and for recombinant Abl and...
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The Quaternization Reaction of 5-O-Sulfonates of Methyl 2,3-o-Isopropylidene-β-D-Ribofuranoside with Selected Heterocyclic and Aliphatic Amines
PublikacjaThe synthesis of N-((methyl 5-deoxy-2,3-O-isopropylidene-β-D-ribofuranoside)-5-yl) ammonium salts are presented. To determine the effect of the nucleophile type and outgoing group on the quaternization reaction, selected aliphatic and heterocyclic aromatic amines reacted with: methyl 2,3-O-isopropylidene-5-O-tosyl-β-D-ribofuranoside or methyl 2,3-O-isopropylidene-5-O-mesyl-β-D -ribofuranoside or methyl 2,3-O-isopropylidene-5-O-triflyl-β-D-ribofuranoside...
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Computational collective intelligence for enterprise information systems
PublikacjaCollective intelligence is most often understood as a kind of intelligence which arises on the basis of a group (collective) of autonomous unites (people, systems) which is taskoriented. There are two important aspects of an intelligent collective: The cooperation aspect and the competition aspect (Levy 1997). The first of them means the possibility for integrating the decisions made by the collective members for creating the decision of...
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Mechanika zespoleń złamań przezkrętarzowych kości udowej: połączona analiza in vivo, in vitro oraz in silico.
ProjektyProjekt realizowany w Katedra Mechaniki Budowli zgodnie z porozumieniem UMO-2022/47/D/ST8/02713 z dnia 2023-11-02
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Factors affecting the conclusion of an arrangement in restructuring proceedings: evidence from Poland
PublikacjaThe EU Restructuring Directive (2019/1023) requires Member States to provide a preventive restructuring framework for financially distressed entities that remain viable or are likely to readily restore economic viability. The first step to a successful restructuring is the approval of an arrangement between the debtor and creditors. The main research objective of the article is to identify factors affecting the conclusion of an...
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Alkohol-społeczny problem XXI wieku. Zastosowanie biowskaźników spożywania alkoholu w diagnostyce medycznej.
PublikacjaAlkohol etylowy jest legalną i ogólnodostępną substancją o działaniu psychoaktywnym. Spożywany w niewielkich ilościach może pozytywnie wpływać na zdrowie, ale jego nadmierna konsumpcja powoduje silne uzależnienie. Może być to przyczyną agresywnych zachowań, przemocy w rodzinie, problemów w kontaktach z ludźmi, problemów z prawem, samobójstw, wypadków samochodowych oraz problemów finansowych. Dlatego też, szybka i jednoznaczna diagnostyka...
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Type 1 diabetes in an adolescent with social problems and mental disorders – case report
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Influences of Gender on the Interaction between Sympathetic Nerve Traffic and Central Adiposity
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Heritability of Plasma Adiponectin Levels and Body Mass Index in Twins
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Obstructive sleep apnea: An update on mechanisms and cardiovascular consequences
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Cognitive Dysfunction in Type 1 Diabetes Mellitus
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Professional activity, gender and disease-related emotions: The impact on parents' experiences in caring for children with phenylketonuria
PublikacjaIntroduction: Clinical management of rare diseases often fails to acknowledge the challenges faced by caregivers.Whilst management of phenylketonuria (PKU) may not be considered as dire as other conditions, most studiesprimarily concentrate on clinical issues, dietary adherence, or the quality of life of the PKU patients, leavingcaregivers in the background. The aim of the study was to evaluate the psychosocial...
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Thyroid Hormones Directly Alter Human Hair Follicle Functions: Anagen Prolongation and Stimulation of Both Hair Matrix Keratinocyte Proliferation and Hair Pigmentation
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Reasons for the discontinuation of therapy of personal insulin pump in children with type 1 diabetes
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PM10 concentration and microbiological assessment of air in relation to the number of acute cases of type 1 diabetes mellitus in the Lubelskie Voivodeship. Preliminary report
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Professional activity, gender and disease-related emotions: The impact on parents' experiences in caring for children with phenylketonuria
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Aerodynamic shape optimization by variable-fidelity computational fluid dynamics models: a review of recent progress
PublikacjaA brief review of some recent variable-fidelity aerodynamic shape optimization methods is presented.We discuss three techniques that—by exploiting information embedded in low-fidelity computationalfluid dynamics (CFD) models—are able to yield a satisfactory design at a low computational cost, usu-ally corresponding to a few evaluations of the original, high-fidelity CFD model to be optimized. Thespecific techniques considered here...
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ADAPTIVE PREDICTIONS OF THE EURO/ZŁOTY CURRENCY EXCHANGE RATE USING STATE SPACE WAVELET NETWORKS AND FORECAST COMBINATIONS
PublikacjaThe paper considers the forecasting of the euro/Polish złoty (EUR/PLN) spot exchange rate by applying state space wavelet network and econometric forecast combination models. Both prediction methods are applied to produce one-trading-day- ahead forecasts of the EUR/PLN exchange rate. The paper presents the general state space wavelet network and forecast combination models as well as their underlying principles. The state space...
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Multi-Criteria Knowledge-Based Recommender System for Decision Support in Complex Business Processes
PublikacjaIn this paper, we present a concept of a multi-criteria knowledge-based Recommender System (RS) designed to provide decision support in complex business process (BP) scenarios. The developed approach is based on the knowledge aspects of Stylistic Patterns, Business Sentiment and Decision-Making Logic extracted from the BP unstructured texts. This knowledge serves as an input for a multi-criteria RS algorithm. The output is prediction...
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Sustainable nitrogen removal in anammox-mediated systems: Microbial metabolic pathways, operational conditions and mathematical modelling
PublikacjaAnammox-mediated systems have attracted considerable attention as alternative cost-effective technologies for sustainable nitrogen (N) removal from wastewater. This review comprehensively highlights the importance of understanding microbial metabolism in anammox-mediated systems under crucial operation parameters, indicating the potentially wide applications for the sustainable treatment of N-containing wastewater. The partial...
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Temperature-dependent structure-property modeling of viscosity for ionic liquids
PublikacjaIn this paper we present the methodology for assessing the ionic liquids' viscosity at six temperature points (25, 35, 45, 50, 60 and 70 [C]), which utilizes only the in silico approach. The main idea of such assessment is based on the "correction equation" describing the correlation between experimentally measured viscosity and theoretically derived density (calculated with use of molecular mechanics), given at 6 different temperature...
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Akcelerator predykcji wewnątrzramkowej H.264 do kompresji obrazu w sensorach wizyjnych
PublikacjaW komunikacie przedstawiono konfigurowalny cyfrowy akcelerator predykcji wewnątrzramkowej przeznaczony dla enkodera wideo standardu H.264. Akcelerator realizuje predykcję typu „intra” dla makrobloków luminancji o wymiarach 4x4 i 16x16. Akcelerator wstępnie zaimplementowano w układzie FPGA, gdzie został on pomyślnie zweryfikowany, a następnie zaimplementowano go w układzie ASIC w technologii UMC 90 nm. Szczegółowe wyniki testów...
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Akcelerator predykcji wewnątrzramkowej H.264 do kompresji obrazu w sensorach wizyjnych
PublikacjaW artykule przedstawiono konfigurowalny cyfrowy akcelerator predykcji wewnątrzramkowej przeznaczony dla enkodera wideo standardu H.264. Akcelerator realizuje predykcję typu „intra” dla makrobloków luminancji o wymiarach 4x4 i 16x16. Akcelerator wstępnie zaimplementowano w układzie FPGA, gdzie został on pomyślnie zweryfikowany, a następnie zaimplementowano go w układzie ASIC w technologii UMC 90 nm. Szczegółowe wyniki testów akceleratora...
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System do prototypowania bezprzewodowych inteligentnych urządzeń monitoringu audio-video
PublikacjaW komunikacie przedstawiono system prototypowania bezprzewodowych urządzeń do monitoringu audio-video. System bazuje na układach FPGA Virtex6 i wielu dodatkowych wspierających urządzeniach jak: szybka pamięć DDR3, mała kamera HD, mikrofon z konwerterem A/C, moduł radiowy WiFi, itp. Funkcjonalność systemu została szczegółowo opisana w komunikacie. System został zoptymalizowany do pracy pod kontrolą systemu operacyjnego Linux, zostały...
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OCENA PRZYDATNOŚCI WIELOWYMIAROWYCH MODELI DYSKRYMINACYJNYCH DO PROGNOZOWANIA UPADŁOŚCI PRZEDSIĘBIORSTW HANDLOWYCH
PublikacjaCelem badań była ocena przydatności użycia modeli opartych na wielowymiarowej analizie dyskryminacyjnej do prognozowania upadłości polskich przedsiębiorstw handlowych oraz próba zwiększenia ich sprawności poprzez zmianę wartości ich punktów granicznych. Badaniu poddano modele: E. I. Altmana „B”, D. Hadasik, A. Hołdy oraz M. Hamrola, B. Czajki i M. Piechockiego. Do oceny modeli wykorzystano iloraz szans oraz macierz klasyfikacji...
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Chained machine learning model for predicting load capacity and ductility of steel fiber–reinforced concrete beams
PublikacjaOne of the main issues associated with steel fiber–reinforced concrete (SFRC) beams is the ability to anticipate their flexural response. With a comprehensive grid search, several stacked models (i.e., chained, parallel) consisting of various machine learning (ML) algorithms and artificial neural networks (ANNs) were developed to predict the flexural response of SFRC beams. The flexural performance of SFRC beams under bending was...
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Performance of Noise Map Service Working in Cloud Computing Environment
PublikacjaIn the paper a noise map service designated for the user interested in environmental noise subject is presented. It is based on cloud computing. Noise prediction algorithm and source model, developed for creating acoustic maps, are working in cloud computing environment. In the study issues related to noise modeling of sound propagation in urban spaces are discussed with a special focus on road noise. Examples of results obtained...
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New generation of analytical tests based on the assessment of enzymatic and nuclear receptor activity changes induced by environmental pollutants
PublikacjaAnalytical methods show great potential in biological tests. The analysis of biological response that results from environmental pollutant exposure allows: (i) prediction of the risk of toxic effects and (ii) provision of the background for the development of markers of the toxicants presence. Bioanalytical tests based on changes in enzymatic activity and nuclear receptor action provide extremely high specificity and sensitivity....
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On joint order and bandwidth selection for identification of nonstationary autoregressive processes
PublikacjaWhen identifying a nonstationary autoregressive process, e.g. for the purpose of signal prediction or parametric spectrum estimation, two important decisions must be taken. First, one should choose the appropriate order of the autoregressive model, i.e., the number of autoregressive coefficients that will be estimated. Second, if identification is carried out using the local estimation technique, such as the localized version of...
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Development of Sulfamoylated 4‑(1-Phenyl‑1H‑1,2,3-triazol-4-yl)phenol Derivatives as Potent Steroid Sulfatase Inhibitors for Efficient Treatment of Breast Cancer
PublikacjaWe present here the advances achieved in the development of new sulfamoylated 4-(1-phenyl-1H-1,2,3-triazol-4-yl)phenol derivatives as potent steroid sulfatase (STS) inhibitors for the treatment of breast cancer. Prompted by promising biological results and in silico analysis, the initial series of similar compounds were extended, appending a variety of m-substituents at the outer phenyl ring. The inhibition profiles of the newly...
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Pregnane X receptor dependent up-regulation of CYP2C9 and CYP3A4 in tumor cells by antitumor acridine agents, C-1748 and C-1305, selectively diminished under hypoxia
PublikacjaInduction of proteins involved in drug metabolism and in drug delivery has a significant impact on drug-drug interactions and on the final therapeutic effects. Two antitumor acridine derivatives selected for present studies, C-1748 (9-(2’-hydroxyethylamino)-4-methyl-1-nitroacridine) and C-1305 (5-dimethylaminopropylamino-8-hydroxy-triazoloacridinone), expressed high and low susceptibility to metabolic transformations with liver...
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Predicting bankruptcy with the use of macroeconomic variables
PublikacjaRegarding the current global financial crisis, the firms can expect the increased uncertainty of their existence. The relevant literature includes extensive studies on bankruptcy prediction. Studies show that the most popular method used for prediction of firms' failures are discriminant analyses (30,3% of all models), then logit and probit models (21,3%), which all three are parametric models. The nature, the structure of the...
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Mathematical Modeling of Ice Dynamics as a Decision Support Tool in River Engineering
PublikacjaThe prediction of winter flooding is a complicated task since it is affected by many meteorological and hydraulic factors. Typically, information on river ice conditions is based on historical observations, which are usually incomplete. Recently, data have been supplemented by information extracted from satellite images. All the above mentioned factors provide a good background of the characteristics of ice processes, but are not...
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Implementation of Extended Kalman Filter with Optimized Execution Time for Sensorless Control of a PMSM Using ARM Cortex-M3 Microcontroller
PublikacjaThis paper addresses the implementation and optimization of an Extended Kalman Filter (EKF) for the Permanent Magnet Synchronous Motor (PMSM) sensorless control using an ARM Cortex-M3 microcontroller. A various optimization levels based on arithmetic calculation reduction was implemented in ARM Cortex-M3 microcontroller. The execution time of EKF estimator was reduced from 260.4 μs to 37.7 μs without loss of accuracy. To further...
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The Use of Artificial Neural Networks and Decision Trees to Predict the Degree of Odor Nuisance of Post-Digestion Sludge in the Sewage Treatment Plant Process
PublikacjaThis paper presents the application of artificial neural networks and decision trees for the prediction of odor properties of post-fermentation sludge from a biological-mechanical wastewater treatment plant. The input parameters were concentrations of popular compounds present in the sludge, such as toluene, p-xylene, and p-cresol, and process parameters including the concentration of volatile fatty acids, pH, and alkalinity in...
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ABSORPCJA, METABOLIZM I ROLA BIOLOGICZNA KWASÓW NUKLEINOWYCH OBECNYCH W ŻYWNOŚCI
PublikacjaKwasy nukleinowe należą do niedocenianych składników żywności, szczególnie surowej lub nisko przetworzonej. W niniejszej publikacji skupiono się na omówieniu przemian, jakim podlegają kwasy nukleinowe w przewodzie pokarmowym człowieka, procesie absorpcji nukleotydów oraz nukleozydów z przewodu pokarmowego, a także przedstawiono podstawowe etapy ich metabolizmu w komórkach organizmu. Produkty trawienia kwasów nukleinowych stanowią...
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Long-term hindcast simulation of sea level in the Baltic Sea
Dane BadawczeThe dataset contains the results of numerical modelling of sea level fluctuations over a period of 50 years (1958-2007) in the Baltic Sea. A long-term hindcast simulation was performed using a three-dimensional hydrodynamic model PM3D (Kowalewski and Kowalewska-Kalkowska, 2017), a new version of the M3D model (Kowalewski, 1997). The hydrodynamic model...
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On Noncausal Identification of Nonstationary Multivariate Autoregressive Processes
PublikacjaThe problem of identification of nonstationary multivariate autoregressive processes using noncausal local estimation schemes is considered and a new approach to joint selection of the model order and the estimation bandwidth is proposed. The new selection rule, based on evaluation of pseudoprediction errors, is compared with the previously proposed one, based on the modified Akaike’s final prediction error criterion.
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Survival time prognosis under a Markov model of cancer development
PublikacjaIn this study we look at a breast cancer data set of women from Pomerania region collected in year 1987-1992 in the Medical University of Gdańsk. We analyze the clinical risk factors in conjunction with Markov model of cancer development. We evaluate Artificial Neural Network (ANN) survival time prediction via a simulation study.
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Modified Peptide Molecules As Potential Modulators of Shelterin Protein Functions; TRF1
PublikacjaIn this work, we present studies on relatively new and still not well-explored potential anticancer targets which are shelterin proteins, in particular the TRF1 protein can be blocked by in silico designed "peptidomimetic" molecules. TRF1 interacts directly with the TIN2 protein, and this protein-protein interaction is crucial for the proper functioning of telomere, which could be blocked by our novel modified peptide molecules....
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An Ontology-based Contextual Pre-filtering Technique for Recommender Systems
PublikacjaContext-aware Recommender Systems aim to provide users with the most adequate recommendations for their current situation. However, an exact context obtained from a user could be too specific and may not have enough data for accurate rating prediction. This is known as the data sparsity problem. Moreover, often user preference representation depends on the domain or the specific recommendation approach used. Therefore, a big effort...
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Things You Might Not Know about the k-Nearest Neighbors Algorithm
PublikacjaRecommender Systems aim at suggesting potentially interesting items to a user. The most common kind of Recommender Systems is Collaborative Filtering which follows an intuition that users who liked the same things in the past, are more likely to be interested in the same things in the future. One of Collaborative Filtering methods is the k Nearest Neighbors algorithm which finds k users who are the most similar to an active user...
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Pose-Invariant Face Detection by Replacing Deep Neurons with Capsules for Thermal Imagery in Telemedicine
PublikacjaAbstract— The aim of this work was to examine the potential of thermal imaging as a cost-effective tool for convenient, non- intrusive remote monitoring of elderly people in different possible head orientations, without imposing specific behavior on users, e.g. looking toward the camera. Illumination and pose invariant head tracking is important for many medical applications as it can provide information, e.g. about vital signs, sensory...