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Wyniki wyszukiwania dla: MOLECULAR MODELING,MOLECULES,NEURAL NETWORKS,SOLVENTS,VISCOSITY
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MACHINE LEARNING–BASED ANALYSIS OF ENGLISH LATERAL ALLOPHONES
PublikacjaAutomatic classification methods, such as artificial neural networks (ANNs), the k-nearest neighbor (kNN) and selforganizing maps (SOMs), are applied to allophone analysis based on recorded speech. A list of 650 words was created for that purpose, containing positionally and/or contextually conditioned allophones. For each word, a group of 16 native and non-native speakers were audio-video recorded, from which seven native speakers’...
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Prediction of energy consumption and evaluation of affecting factors in a full-scale WWTP using a machine learning approach
PublikacjaTreatment of municipal wastewater to meet the stringent effluent quality standards is an energy-intensive process and the main contributor to the costs of wastewater treatment plants (WWTPs). Analysis and prediction of energy consumption (EC) are essential in designing and operating sustainable energy-saving WWTPs. In this study, the effect of wastewater, hydraulic, and climate-based parameters on the daily consumption of EC by...
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Exergy and Energy Analyses of Microwave Dryer for Cantaloupe Slice and Prediction of Thermodynamic Parameters Using ANN and ANFIS Algorithms
PublikacjaThe study targeted towards drying of cantaloupe slices with various thicknesses in a microwave dryer. The experiments were carried out at three microwave powers of 180, 360, and 540 W and three thicknesses of 2, 4, and 6 mm for cantaloupe drying, and the weight variations were determined. Artificial neural networks (ANN) and adaptive neuro-fuzzy inference systems (ANFIS) were exploited to investigate energy and exergy indices of...
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Quantitative Risk Assessment in Construction Disputes Based on Machine Learning Tools
PublikacjaA high monetary value of the construction projects is one of the reasons of frequent disputes between a general contractor (GC) and a client. A construction site is a unique, one-time, and single-product factory with many parties involved and dependent on each other. The organizational dependencies and their complexity make any fault or mistake propagate and influence the final result (delays, cost overruns). The constant will...
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Super-resolved Thermal Imagery for High-accuracy Facial Areas Detection and Analysis
PublikacjaIn this study, we evaluate various Convolutional Neural Networks based Super-Resolution (SR) models to improve facial areas detection in thermal images. In particular, we analyze the influence of selected spatiotemporal properties of thermal image sequences on detection accuracy. For this purpose, a thermal face database was acquired for 40 volunteers. Contrary to most of existing thermal databases of faces, we publish our dataset...
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Mass spectrometry based identification of geometric isomers during metabolic stability study of a new cytotoxic sulfonamide derivatives supported by quantitative structure-retention relationships
PublikacjaA set of 15 new sulphonamide derivatives, presenting antitumor activity have been subjected to a metabolic stability study. The results showed that besides products of biotransformation, some additional peaks occurred in chromatograms. Tandem mass spectrometry revealed the same mass and fragmentation pathway, suggesting that geometric isomerization occurred. Thus, to support this hypothesis, quantitative structure-retention relationships...
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Modeling lignin extraction with ionic liquids using machine learning approach
PublikacjaLignin, next to cellulose, is the second most common natural biopolymer on Earth, containing a third of the organic carbon in the biosphere. For many years, lignin was perceived as waste when obtaining cellulose and hemicellulose and used as a biofuel for the production of bioenergy. However, recently, lignin has been considered a renewable raw material for the production of chemicals and materials to replace petrochemical resources....
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Experimental and theoretical investigation of conformational states and noncovalent interactions in crystalline sulfonamides with a methoxyphenyl moiety
PublikacjaFour sulfonamide derivatives with a methoxyphenyl moiety, namely N-{4-[(2-methoxyphenyl)sulfamoyl] phenyl}acetamide (1a), N-{4-[(3-methoxyphenyl)sulfamoyl]phenyl}acetamide (1b), 4-amino-N-(2- methoxyphenyl)benzenesulfonamide (2a) and 4-amino-N-(3-methoxyphenyl)benzenesulfonamide (2b), have been synthesized and characterized physiochemically by CHNS, MS, FT-IR, 1H NMR, 13C NMR, PXRD and TG methods. Crystal structures were determined...
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Adaptacyjny system oświetlania dróg oraz inteligentnych miast
PublikacjaPrzedmiotem rozprawy jest zbadanie praktycznej możliwości wykrywania w czasie rzeczywistym anomalii w systemie oświetlenia drogowego w oparciu o analizę danych ze inteligentnych liczników energii. Zastosowanie inteligentnych liczników energii elektrycznej (Smart Meter) w systemach oświetlenia drogowego stwarza nowe możliwości w zakresie automatycznej diagnostyki takich niepożądanych zjawisk jak awarie lamp, odstępstwa od harmonogramu...
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Continuum contact model for friction between graphene sheets that accounts for surface anisotropy and curvature
PublikacjaUnderstanding the interaction mechanics between graphene layers and co-axial carbon nanotubes (CNTs) is essential for modeling graphene and CNT-based nanoelectromechanical systems. This work proposes a new continuum contact model to study interlayer interactions between curved graphene sheets. The continuum model is calibrated and validated using molecular dynamics (MD) simulations. These are carried out employing the reactive...
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Preparation and characterization of dummy-template molecularly imprinted polymers as potential sorbents for the recognition of selected polybrominated diphenyl ethers
PublikacjaThe main aim of this work was to conduct the preliminary/basic research concerning the preparation process of a new dummy molecularly imprinted polymer (DMIP) materials. Developed DMIPs were proposed as a sorption material in solid-phase extraction (SPE) technique for recognition of selected low mass polybrominated diphenyl ethers (PBDEs) e PBDE-47 and PBDE-99. Four new DMIPs were synthesized employing bulky polymerization technique...
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Optimal Design of Transmitarray Antennas via Low-Cost Surrogate Modelling
PublikacjaOver the recent years, reflectarrays and transmitarrays have been drawing a considerable attention due to their attractive features, including a possibility of realizing high gain and pencil-like radiation patterns without the employment of complex feeding networks. Among the two, transmitarrays seem to be superior over reflectarrays in terms of achieving high radiation efficiency without the feed blockage. Notwithstanding, the...
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Rapid Design of 3D Reflectarray Antennas by Inverse Surrogate Modeling and Regularization
PublikacjaReflectarrays (RAs) exhibit important advantages over conventional antenna arrays, especially in terms of realizing pencil-beam patterns without the employment of the feeding networks. Unfortunately, microstrip RA implementations feature narrow bandwidths, and are severely affected by losses. A considerably improved performance can be achieved for RAs involving grounded dielectric layers, which are also easy to manufacture using...
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On-line Search in Two-Dimensional Environment
PublikacjaWe consider the following on-line pursuit-evasion problem. A team of mobile agents called searchers starts at an arbitrary node of an unknown network. Their goal is to execute a search strategy that guarantees capturing a fast and invisible intruder regardless of its movements using as few searchers as possible. We require that the strategy is connected and monotone, that is, at each point of the execution the part of the graph...
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Nanofiltration-Assisted Concentration Processes of Phenolic Fractions and Carotenoids from Natural Food Matrices
PublikacjaIn new food formulations, carotenoids and phenolic compounds are likely to be the most sought after food ingredients according to their bioactivity, nutraceutical, nutritional value, and compatibility properties once incorporated into food formulations. Such solutes are naturally present in many plant-based sources, and some portions are directly consumed when enriching food products and formulations; however, some portions, which...
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Anionic states of C6Cl6 probed in electron transfer experiments
PublikacjaThis is the first comprehensive investigation on the anionic species formed in collisions of fast neutral potassium (K) atoms with neutral hexachlorobenzene (C6Cl6) molecules in the laboratory frame range from 10 up to 100 eV. In such ion-pair formation experiments, we also report a novel K+ energy loss spectrum obtained in the forward scattering giving evidence of the most accessible electronic states. The vertical electron affinity...
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Neutral Dissociation of Pyridine Evoked by Irradiation of Ionized Atomic and Molecular Hydrogen Beams
PublikacjaThe interactions of ions with molecules and the determination of their dissociation patterns are challenging endeavors of fundamental importance for theoretical and experimental science. In particular, the investigations on bond-breaking and new bond-forming processes triggered by the ionic impact may shed light on the stellar wind interaction with interstellar media, ionic beam irradiations of the living cells, ion-track nanotechnology,...
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Statistical Data Pre-Processing and Time Series Incorporation for High-Efficacy Calibration of Low-Cost NO2 Sensor Using Machine Learning
PublikacjaAir pollution stands as a significant modern-day challenge impacting life quality, the environment, and the economy. It comprises various pollutants like gases, particulate matter, biological molecules, and more, stemming from sources such as vehicle emissions, industrial operations, agriculture, and natural events. Nitrogen dioxide (NO2), among these harmful gases, is notably prevalent in densely populated urban regions. Given...
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A review on computer‐aided chemogenomics and drug repositioning for rational COVID ‐19 drug discovery
PublikacjaApplication of materials capable of energy harvesting to increase the efficiency and environmental adaptability is sometimes reflected in the ability of discovery of some traces in an environment―either experimentally or computationally―to enlarge practical application window. The emergence of computational methods, particularly computer-aided drug discovery (CADD), provides ample opportunities for the rapid discovery and development...
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Robust and Efficient Machine Learning Algorithms for Visual Recognition
PublikacjaIn visual recognition, the task is to identify and localize all objects of interest in the input image. With the ubiquitous presence of visual data in modern days, the role of object recognition algorithms is becoming more significant than ever and ranges from autonomous driving to computer-aided diagnosis in medicine. Current models for visual recognition are dominated by models based on Convolutional Neural Networks (CNNs), which...
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Development of an AI-based audiogram classification method for patient referral
PublikacjaHearing loss is one of the most significant sensory disabilities. It can have various negative effects on a person's quality of life, ranging from impeded school and academic performance to total social isolation in severe cases. It is therefore vital that early symptoms of hearing loss are diagnosed quickly and accurately. Audiology tests are commonly performed with the use of tonal audiometry, which measures a patient's hearing...
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Employing Subjective Tests and Deep Learning for Discovering the Relationship between Personality Types and Preferred Music Genres
PublikacjaThe purpose of this research is two-fold: (a) to explore the relationship between the listeners’ personality trait, i.e., extraverts and introverts and their preferred music genres, and (b) to predict the personality trait of potential listeners on the basis of a musical excerpt by employing several classification algorithms. We assume that this may help match songs according to the listener’s personality in social music networks....
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Segmentation Quality Refinement in Large-Scale Medical Image Dataset with Crowd-Sourced Annotations
PublikacjaDeployment 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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Survey on fuzzy logic methods in control systems of electromechanical plants
PublikacjaРассмотрены алгоритмы управления электромеханическими системами с использованием теории нечеткой логики, приводятся основные положения их синтеза, рассматриваются методы анализа их устойчивости на основе нечетких функций Ляпунова. Эти алгоритмы чаще всего реализуются в виде различных регуляторов, применение которых целесообразно в системах, математическая модель которых не известна, не детерминирована или является строго нелинейной,...
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Progress in ATRP-derived materials for biomedical applications
PublikacjaThe continuing wave of technological breakthroughs and advances is critical for engineering well- defined materials, particularly biomaterials, with tailored microstructure and properties. Over the last few decades, controlled radical polymerization (CRP) has become a very promising option for the synthesis of precise polymeric materials with an unprecedented degree of control over mo lecular architecture. Atom transfer radical...
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Synthesis and biological evaluation of fluorinated N-benzoyl and N-phenylacetoyl derivatives of 3-(4-aminophenyl)-coumarin-7-O-sulfamate as steroid sulfatase inhibitors
PublikacjaIn the present work, we report convenient methods for the synthesis of 3-(4-aminophenyl)-coumarin-7-O-sulfamate derivatives N-acylated with fluorinated analogues of benzoic or phenylacetic acid as steroid sulfatase (STS) inhibitors. The design of these potential STS inhibitors was supported by molecular modeling techniques. Additionally, computational docking methods were used to determine the binding modes of the synthesized inhibitors...
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Machine-learning-based precise cost-efficient NO2 sensor calibration by means of time series matching and global data pre-processing
PublikacjaAir pollution remains a considerable contemporary challenge affecting life quality, the environment, and economic well-being. It encompasses an array of pollutants—gases, particulate matter, biological molecules—emanating from sources such as vehicle emissions, industrial activities, agriculture, and natural occurrences. Nitrogen dioxide (NO2), a harmful gas, is particularly abundant in densely populated urban areas. Given its...
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The Metal-Free Regioselective Deuteration of 2-Methylquinolin-8-ol and 2,5-Dimethylquinolin-8-ol, Spectroscopic and Computational Studies
PublikacjaAbstract: Aim and Background: Introducing deuterium to a molecule is of interest to a wide variety of research, including investigation of reaction mechanisms or kinetics, analysis of drug metabolism, structural elucidation of molecules, and syntheses of isotopically labeled materials used for NMR spectroscopy and medicinal research. Objective: The transition-metal-free regioselective deuteration of 2-methylquinolin-8-ol...
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Highly Conserved Homotrimer Cavity Formed by the SARS-CoV-2 Spike Glycoprotein: A Novel Binding Site
PublikacjaAn important stage in severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) life cycle is the binding of the spike (S) protein to the angiotensin converting enzyme-2 (ACE2) host cell receptor. Therefore, to explore conserved features in spike protein dynamics and to identify potentially novel regions for drugging, we measured spike protein variability derived from 791 viral genomes and studied its properties by molecular...
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Solvothermal synthesis and structural characterization of three polyoxotitanium-organic acid clusters
PublikacjaThree new titanium oxo-clusters Ti4O2(OiPr)10(OOCPhMe)2 (I), Ti6O4(OEt)8(OOCPhMe)8 (II) and Ti6O6(OEt)6(OOCCHPh2)6 (III) were obtained by easy one-step solvothermal reactions of titanium(IV) isopropoxide, alcohols and carboxylic acids. The three compounds were characterized by single-crystal and powder X-ray diffraction, TGA/DSC, optical and electron microscopy, and FTIR and NMR spectroscopy. X-ray powder diffraction and spectroscopy...
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System for automatic singing voice recognition
PublikacjaW artykule przedstawiono system automatycznego rozpoznawania jakości i typu głosu śpiewaczego. Przedstawiono bazę danych oraz zaimplementowane parametry. Algorytmem decyzyjnym jest algorytm sztucznych sieci neuronowych. Wytrenowany system decyzyjny osiąga skuteczność ok. 90% w obydwu kategoriach rozpoznawania. Dodatkowo wykazano przy pomocy metod statystycznych, że wyniki działania systemu automatycznej oceny jakości technicznej...
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On Memory-Based Precise Calibration of Cost-Efficient NO2 Sensor Using Artificial Intelligence and Global Response Correction
PublikacjaNitrogen dioxide (NO2) is a prevalent air pollutant, particularly abundant in densely populated urban regions. Given its harmful impact on health and the environment, precise real-time monitoring of NO2 concentration is crucial, particularly for devising and executing risk mitigation strategies. However, achieving precise measurements of NO2 is challenging due to the need for expensive and cumbersome equipment. This has spurred...
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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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Combined Single Neuron Unit Activity and Local Field Potential Oscillations in a Human Visual Recognition Memory Task
PublikacjaGOAL: Activities of neuronal networks range from action potential firing of individual neurons, coordinated oscillations of local neuronal assemblies, and distributed neural populations. Here, we describe recordings using hybrid electrodes, containing both micro- and clinical macroelectrodes, to simultaneously sample both large-scale network oscillations and single neuron spiking activity in the medial temporal lobe structures...
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Faults and Fault Detection Methods in Electric Drives
PublikacjaThe chapter presents a review of faults and fault detection methods in electric drives. Typical faults are presented that arises for the induction motor, which is valued in the industry for its robust construction and cost-effective production. Moreover, a summary is presented of detectable faults in conjunction with the required physical information that allow a detection of specific faults. In order to address faults of a complete...
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Computationally Efficient Surrogate-Assisted Design of Pyramidal-Shaped 3D Reflectarray Antennas
PublikacjaReflectarrays (RAs) have been attracting considerable interest in the recent years due to their appealing features, in particular, a possibility of realizing pencil-beam radiation patterns, as in the phased arrays, but without the necessity of incorporating the feeding networks. These characteristics make them attractive solutions, among others, for satellite communications or mobile radar antennas. Notwithstanding, available microstrip...
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Problem of aggregation in dye-DNA interaction, calorimetry studies
PublikacjaNucleic acids are the biological target for many antimicrobial, antitumor and antiviral drugs. Ligand-DNA interactions can be classified into two major categories: 1. covalent binding, which can provide to intermolecular adducts, 2. physico-chemical interactions, which can be divided into intercalation (e.g. adriamycin) or groove binding (e.g. dystamycin). There are several methods to investigate interactions between drug and DNA....
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Dynamic GPU power capping with online performance tracing for energy efficient GPU computing using DEPO tool
PublikacjaGPU 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...
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Study of various machine learning approaches for Sentinel-2 derived bathymetry
PublikacjaIn recent years precise and up-to-date information regarding seabed depth has become more and more important for companies and institutions that operate on coastlines. While direct, in-situ measurements are performed regularly, they are expensive, time-consuming and impractical to be performed in short time intervals. At the same time, an ever-increasing amount of satellite imaging data becomes available. With these images, it...
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Marine and Cosmic Inspirations for AI Algorithms
PublikacjaArtificial Intelligence (AI) is a scientific area that currently sees an enormous growth. Various new algorithms and methods are developed and many of them meets practical, successful applications. Authors of new algorithms draw different inspirations. Probably the most common one is the nature. For example, Artificial Neural Networks were inspired by the structure of human brain and nervous system while the classic Genetic Algorithm...
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Triplet–Triplet Annihilation Upconverting Liposomes: Mechanistic Insights into the Role of Membranes in Two-Dimensional TTA-UC
PublikacjaTriplet−triplet annihilation upconversion (TTA-UC) implemented in nanoparticle assemblies is of emerging interest in biomedical applications, including in drug delivery and imaging. As it is a bimolecular process, ensuring sufficient mobility of the sensitizer and annihilator to facilitate effective collision in the nanoparticle is key. Liposomes can provide the benefits of two-dimensional confinement and condensed concentration...
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Direct injection liquid chromatography-mass spectrometry (DI-LC-MS) analysis for rapid lipidomic profiling of extracellular vesicles
PublikacjaExtracellular vesicles (EVs) are small, spherical particles produced by eukaryotic and prokaryotic cells, surrounded by a bilayer membrane and carrying various bioactive molecules, such as proteins, surface receptors, membrane and soluble proteins, lipids, and nucleic acids. EVs are of substantial interest because of their important roles in cell communication, epigenetic regulation and possible application in disease diagnosis...
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Fusion of Taq DNA polymerase with single-stranded DNA binding-like protein of Nanoarchaeum equitans—Expression and characterization
PublikacjaDNA polymerases are present in all organisms and are important enzymes that synthesise DNA molecules. They are used in various fields of science, predominantly as essential components for in vitro DNA syntheses, known as PCR. Modern diagnostics, molecular biology and genetic engineering need DNA polymerases which demonstrate improved performance. This study was aimed at obtaining a new NeqSSB-TaqS fusion DNA polymerase from the...
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Deep learning techniques for biometric security: A systematic review of presentation attack detection systems
PublikacjaBiometric technology, including finger vein, fingerprint, iris, and face recognition, is widely used to enhance security in various devices. In the past decade, significant progress has been made in improving biometric sys- tems, thanks to advancements in deep convolutional neural networks (DCNN) and computer vision (CV), along with large-scale training datasets. However, these systems have become targets of various attacks, with...
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Verification of the Parameterization Methods in the Context of Automatic Recognition of Sounds Related to Danger
PublikacjaW artykule opisano aplikację, która automatycznie wykrywa zdarzenia dźwiękowe takie jak: rozbita szyba, wystrzał, wybuch i krzyk. Opisany system składa się z bloku parametryzacji i klasyfikatora. W artykule dokonano porównania parametrów dedykowanych dla tego zastosowania oraz standardowych deskryptorów MPEG-7. Porównano też dwa klasyfikatory: Jeden oparty o Percetron (sieci neuronowe) i drugi oparty o Maszynę wektorów wspierających....
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Vehicle detector training with minimal supervision
PublikacjaRecently many efficient object detectors based on convolutional neural networks (CNN) have been developed and they achieved impressive performance on many computer vision tasks. However, in order to achieve practical results, CNNs require really large annotated datasets for training. While many such databases are available, many of them can only be used for research purposes. Also some problems exist where such datasets are not...
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Implementing artificial intelligence in forecasting the risk of personal bankruptcies in Poland and Taiwan
PublikacjaResearch background: The global financial crisis from 2007 to 2012, the COVID-19 pandemic, and the current war in Ukraine have dramatically increased the risk of consumer bankruptcies worldwide. All three crises negatively impact the financial situation of households due to increased interest rates, inflation rates, volatile exchange rates, and other significant macroeconomic factors. Financial difficulties may arise when the...
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Structural, magnetic and spectral properties of tetrahedral cobalt(II) silanethiolates: a variety of structures and manifestation of field-induced slow magnetic relaxation
PublikacjaBlue crystals of five heteroleptic cobalt(II) silanethiolates 1–5 have been obtained by the reaction of [Co{SSi (tBuO)3}2(NH3)]2 with aminopyridines and aminomethylpyridines at an appropriate molar ratio and their structural, spectral, thermal and magnetic properties have been established and described. All complexes 1–5 contain Co(II) ions in a tetrahedral CoN2S2 environment formed by (tBuO)3SiS− residues and pyridines and present...
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A new open-source software developed for numerical simulations usingdiscrete modeling methods
PublikacjaThe purpose of this work is to present the development of an open-source software based on a discrete description of matter applied to study the behavior of geomaterials. This software uses Object Oriented Programming techniques, and its methodology design uses three different methods, which are the Discrete Element Method (DEM) [F. Donzé, S.A. Magnier, Formulation of a three-dimensional numerical model of brittle behavior, Geophys....
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Mechanics of Micro- and Nano-Size Materials and Structures
PublikacjaNanotechnology knowledge is always looking to expand its boundaries to achieve the mostsignificant benefit to human life and meet the growing needs of today. In this case, we can refer tomicro- and nanosensors in micro/nano-electromechanical systems (MEMS/NEMS). These electricaldevices can detect minimal physical stimuli up to one nanometer in size. Today, micro/nano-sensordevices are widely used in the...