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Search results for: binary system
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Application of Multivariate Adaptive Regression Splines (MARSplines) Methodology for Screening of Dicarboxylic Acids Cocrystal Using 1D and 2D Molecular Descriptors
PublicationDicarboxylic acids (DiAs) are probably one of the most popular cocrystals formers. Due to the high hydrophilicity and non-toxicity, they are promising solubilizes of active pharmaceutical ingredients (APIs). Although DiAs appear to be highly capable of forming multicomponent crystals with various compounds, some systems reported in the literature are physical mixtures the solid state without forming stable intermolecular complex....
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Deep convolutional neural network for predicting kidney tumour malignancy
PublicationPurpose: According to the statistics, up to 15-20% of removed solid kidney tumors turn out to be benign in postoperative histopathological examination, despite having been identified as malignant by a radiologist. The aim of the research was to limit the number of unnecessary nephrectomies of benign tumors. Methods or Background: We propose a machine-aided diagnostic system for kidney...
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Antibiotic-sterol interactions provide insight into the selectivity of natural aromatic analogues of amphotericin B and their photoisomers
PublicationAromatic heptaene macrolides (AHMs) belong to the group of polyene macrolide antifungal antibiotics. Members of this group were the first to be used in the treatment of systemic fungal infections. Amphotericin B (AmB), a non-aromatic representative of heptaene macrolides, is of significant clinical importance in the treatment of internal mycoses. It includes the all-trans heptaene chromophore, whereas the native AHMs contain two...
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Digital structures for high-speed signal processing
PublicationThe work covers several issues of realization of digital structures for pipelined processing of real and complex signals with the use of binary arithmetic and residue arithmetic. Basic rules of performing operations in residue arithmetic are presented along with selected residue number systems for processing of complex signals and computation of convolution. Subsequently, methods of conversion of numbers from weighted systems to...
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Experimental certification of more than one bit of quantum randomness in the two inputs and two outputs scenario
PublicationOne of the striking properties of quantum mechanics is the occurrence of the Bell-type non-locality. They are a fundamental feature of the theory that allows two parties that share an entangled quantum system to observe correlations stronger than possible in classical physics. In addition to their theoretical significance, non-local correlations have practical applications, such as device-independent randomness generation, providing...
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Deep learning for ultra-fast and high precision screening of energy materials
PublicationSemiconductor materials for energy storage are the core and foundation of modern information society and play important roles in photovoltaic system, integrated circuit, spacecraft technology, lighting applications, and other fields. Unfortunately, due to the long experiment period and high calculation cost, the high-precision band gap (the basic characteristic parameter) of semiconductor is difficult to obtain, which hinders the...
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Low frequency nois of supecapacitor
Open Research DataDataset contains results of low frequency noise observation during discharge of commercially available supercapacitor, type DRL 2.7V 10F, with a nominal capacitance 10 F and a nominal voltage 2.7 V. Supercapacitor was charged to various voltages and discharged through a resistor. In the experiment the 50 Ohm and 200 Ohm resistors were used. The supercapacitor...
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Total Ionization Cross Sections of Selected Amino Acids
Open Research DataThe data set contains tabulated values of cross-sections for a single electron-impact ionization of selected amino acids (glycine, alanine, phenylalanine, proline and tryptophan) calculated using binary-encouter-Bethe method. The data have been published in graphical form (figure 1) in the following paperA.M. Sheer, P. Mozejko, G.A. Gallup, P.D. Burrow...
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New Screening Protocol for Effective Green Solvents Selection of Benzamide, Salicylamide and Ethenzamide
PublicationNew protocol for screening efficient and environmentally friendly solvents was proposed and experimentally verified. The guidance for solvent selection comes from computed solubility via COSMO-RS approach. Furthermore, solute-solvent affinities computed using advanced quantum chemistry level were used as a rationale for observed solvents ranking. The screening protocol pointed out that 4-formylomorpholine (4FM) is an attractive...
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The scanning spreading resistance microscopy (SSRM) of some CoCrMo alloys subjected to electrochemical litography
Open Research DataThe dataset contains the results of the experiment consisting of performing electrochemical lithography on the surface of the CoCrMo prosthetic alloy. First, by applying local anodic polarization, oxide structures were created on the surface of the material. Next, they were imaged in the SSRM (scanning spreading resistance microscopy) mode to visualize...
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The effect of cobalt addition on the corrosion behavior of near equiatomic NiTi shape memory alloy in normal saline solution, impedance and microscopic studies
Open Research DataThe electrochemical and corrosion (uniform and localized) behavior of a binary Ni52Ti48 shape memory alloy (SMA) and two ternary Ni52Ti48-xCox (x = 1.5 and 4.0 wt.%) SMAs were studied. Measurements were conducted in 0.9% NaCl solution at 37 oC. This dataset contains the results of electrochemical impedance spectroscopy (EIS) studies done on daily basis...
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Looking for a minimum exergy destruction in hierarchical cycle
PublicationThe paper presents results of energy analysis, complemented with an exergy balance, of hierarchical thermodynamic cycle. Proposed cycle is a binary vapour cycle based on a model of real supercritical steam power plant. Energy analysis is used to preliminary optimization of the cycle and the exergy losses analysis is proposed to perform optimization of heat transfer processes, which are essential for hierarchical cycles. Proposed...
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A Population-Based Method with Selection of a Search Operator
PublicationThis paper presents a method based on a population in which the parameters of individuals can be processed by operators from various population-based algorithms. The mechanism of selecting operators is based on the introduction of an additional binary parameters vector located in each individual, on the basis of which it is decided which operators are to be used to modify individuals’ parameters. Thus, in the proposed approach,...
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The AFM micrographs of austenitic stainless steel subjected to sensitization for intergranular corrosion
Open Research DataThe dataset contains atomic force microscopy (AFM) maps of topographic images of austenitic steel samples subjected to sensitization to the process of intergranular corrosion. Precipitations of carbides as well as other intermetallic phases can be observed and detected before the fragments of structures sensitized by improper thermal treatment are exposed...
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Experimental and Theoretical Insights into the Intermolecular Interactions in Saturated Systems of Dapsone in Conventional and Deep Eutectic Solvents
PublicationSolubility is not only a crucial physicochemical property for laboratory practice but also provides valuable insight into the mechanism of saturated system organization, as a measure of the interplay between various intermolecular interactions. The importance of these data cannot be overstated, particularly when dealing with active pharmaceutical ingredients (APIs), such as dapsone. It is a commonly used anti-inflammatory and...
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The exemplary Kelvin probe microscopy studies of sensitized austenitic stainless steels
Open Research DataThe dataset summarizes the results of imaging the surface potential distribution using the Kelvin probe scanning technique. Due to the fact that the potential measured in this way is proportional to the electrochemical potential of metals or intermetallic phases, it is possible to assess the nobility differences of various alloy components. In the case...
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Results of modeling of pharmaceuticals mixtures toxicity with deviation ratio and best-fit functions models using Saccharomyces cerevisiae yeast as model organism
Open Research DataThe research was concerned with verifying the impact of binary mixtures of nine pharmaceuticals against a selected organism, i.e., the yeast Saccharomyces cerevisiae. S cerevisiae is used as a model organism in the monitoring of endocrine disruptors in environmental and reference samples in Xenometrix® systems - XenoScreen®. Tested pharmaceuticals,...
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Cross sections calculations for electron scattering from dimethylamine, NH(CH3)2, molecule
PublicationThe total cross section for single electron-impact ionization and the integral elastic cross section for electron scattering from dimethylamine have been calculated using the binary-encounter-Bethe model and the independent atom method, respectively.
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Studies on micellar aggregation of nonionic surfactants in imidazolium liquids
PublicationA number of imidazolium ionic liquids, with 2-8 carbon atoms in cation alkyl chains, and tetrafluoroborate, hexafluorophosphate, bis(trifluoromethylsulfony)imide and trifluoromethanesulfonate anions, were characterized for their ability to support micellar aggregation of nonionic surfactants in binary solutions.
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The scanning tunnelling micrographs of highly oriented pyrolytic graphite
Open Research DataThe dataset contains the results imaging of a sample of highly oriented pyrolytic graphite obtained using scanning tunneling microscopy. The above variant of scanning probe microscopy is one of the most convenient research techniques at atomic scales. The file contains images corresponding to increasing magnifications from the 1 um scale to a few nanometers....
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Fabrication and Structural Properties of LaNb 1‐x As x O 4 Ceramics
PublicationLanthanum niobate substituted with arsenic was synthesized by three methods: solid state reaction from binary oxides and two different methods combining co-precipitation and solidstate reaction. In the first of the combined methods LaNb1- xAsxO4 was synthesized from LaAsO4, obtained from coprecipitation method, and lanthanum and niobium oxides. In the second LaNbO4 was first synthesized from binary oxides and then mixed with LaAsO4...
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Material Design and Optimisation of Electrochemical Li-Ion Storage Properties of Ternary Silicon Oxycarbide/Graphite/Tin Nanocomposites
PublicationIn this work, we present the characterization and electrochemical performance of various ternary silicon oxycarbide/graphite/tin (SiOC/C/Sn) nanocomposites as anodes for lithium-ion batteries. In binary SiOC/Sn composites, tin nanoparticles may be produced in situ via carbothermal reduction of SnO2 to metallic Sn, which consumes free carbon from the SiOC ceramic phase, thereby limiting the carbon content in the final ceramic nanocomposite....
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Electron-impact ionization cross section calculations for 5-chloropyridine and 5-bromopyridine molecules
PublicationThe total cross sections for the single electron-impact ionization of 5-chloropyridine (5-C5H4ClN) and 5-bromopyridine (5-C5H4BrN) molecules have been calculated using binary-encounter-Bethe method for electron energies ranging from the ionization threshold up to 5 keV.
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Experimental and theoretical solubility advantage screening of bi-component solid curcumin formulations
PublicationA comprehensive experimental and theoretical screening was performed for identification of curcumin solubilizers. Experimental data led to formulation of a non-linear QSPR model correlating molecular descriptors with measured solubilities. The majority of synthesized binary systems exhibited a moderate enhancement of curcumin solubility, which was found to be the highest in the case of curcumin cocrystallized with pyrogallol. New...
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Simultaneous measurements of ECG, body Impedance and temperature
Open Research DataThe data are complementary part of the experiment designed to demonstrate how to use the network protocols to transmit medical data. The dataset contains biomedical signals of ECG, Impedanc and temperature acquired simultaneously. The data allow students to become familiar with data acquisition methods (simulate data transmission by medical device over...
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Collective angst and collective action for progressive city policies: study4
Open Research DataWe conducted this study before the second term of the presidential election in Poland in 2020. Conservative-nationalist President Andrzej Duda’s rival was Rafał Trzaskowski, the liberal Mayor of Warsaw supported by Civic Platform [pol. Platforma Obywatelska] party. 456 residents of Gdańsk participated in the study (313 women, 3 non-binary) with M age...
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On the Possibility of the Amphotericin B-Sterol Complex Formation in Cholesterol- and Ergosterol-Containing Lipid Bilayers: A Molecular Dynamics Study
PublicationAmphotericin B (AmB) is a well-known membrane-active antibiotic that has been used to treat systemicfungal infections for more than 45 years. Therapeutic application of AmB is based on the fact that it is moreactive against ergosterol-containing membranes of fungal cells than against mammalian membranes withcholesterol. In this paper, we examine the hypothesis according to which the selectivity of the AmB's membraneaction originates...
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Experimental and Theoretical Screening for Green Solvents Improving Sulfamethizole Solubility
PublicationSolubility enhancement of poorly soluble active pharmaceutical ingredients is of crucial importance for drug development and processing. Extensive experimental screening is limited due to the vast number of potential solvent combinations. Hence, theoretical models can offer valuable hints for guiding experiments aimed at providing solubility data. In this paper, we explore the possibility of applying quantum-chemistry-derived...
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SegSperm - a dataset of sperm images for blurry and small object segmentation
Open Research DataMany deep learning applications require figure-ground segmentation. The performance of segmentation models varies across modalities and acquisition settings.
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ELECTRON-IMPACT IONIZATION CROSS SECTIONS CALCULATIONS FOR PURINE AND PYRIMIDINE MOLECULES
PublicationCross sections for electron-impact ionization of purine and pyrimidine molecules have been calculated using binary-encounter-Bethe method for electron energies ranging from the ionization threshold up to 5 keV. Ionization cross section for purine molecules is 1.4 times higher than for pyrimidine molecules. Acceptable agreement between experimental and theoretical ionization data for pyrimidine molecule has been found.
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Phase Transition in a Sequence-Structure Channel
PublicationWe study an interesting channel which maps binary sequences to self-avoiding walks in the two-dimensional grid, inspired by a model of protein folding from statistical physics. The channel is characterized by a Boltzmann/Gibbs distribution with a free parameter corresponding to temperature. We estimate the conditional entropy between the input sequence and the output fold, giving an upper bound which exhibits an unusual phase transition...
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Stanowisko do analizy sygnałów przesyłanych w kanale hydroakustycznym
PublicationOpisano stanowisko badawcze, za pomocą którego wyznaczano odpowiedzi kanału hydroakustycznego na pobudzenie sygnałem modulowanym ciągiem pseudoprzypadkowym PRBS (Pseudo Random Binary Sequence) oraz przeprowadzono eksperymenty z transmisją danych z rozpraszaniem widma metodą bezpośrednią. Omówiono wyniki badań w warunkach laboratoryjnych oraz w jeziorze i basenie portu morskiego. Badania wykonano w warunkach statycznych.
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Distinguishing of cocrystals from simple eutectic mixtures: phenolic acids as potential pharmaceutical coformers
PublicationThe multiparameter model comprising 1D and 2D QSPR/QSAR descriptors was proposed and validated for phenolic acid binary systems. This approach is based on the optimization of regression coefficients for maximization of the percentage of true positives in the pool of systems comprising either simple binary eutectics or cocrystals. The training set consisted of 58 eutectics and 168 cocrystals. The solid dispersions collection used...
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Endohedral gallide cluster superconductors and superconductivity in ReGa5
PublicationWe present transition metal-embedded (T@Gan) endohedral Ga clusters as a favorable structural motif for superconductivity and develop empirical, molecule-based, electron counting rules that govern the hierarchical architectures that the clusters assume in binary phases. Among the binary T@Gan endohedral cluster systems, Mo8Ga41, Mo6Ga31, Rh2Ga9, and Ir2 Ga9 are all previously known superconductors. The well-known exotic superconductor...
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Microwave-assisted synthesis of a TiO2-CuO heterojunction with enhanced photocatalytic activity against tetracycline
PublicationA microwave method was used for the synthesis of TiO2-CuO oxide systems. A detailed investigation was made of the effect of the molar ratio of components (TiO2:CuO=9:1, 7:3, 5:5, 3:7, 1:9) on the crystalline structure and morphology. Transmission electron microscopy (TEM) confirmed the presence of octahedral and rod-shaped titania particles and sheet copper(II) oxide particles; moreover, HRTEM analysis indicated the presence of...
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Analyzing sets of phylogenetic trees obtained from bayesian MCMC process using topology metrics
PublicationThe reconstruction of evolutionary trees is one of the primary objectives in phylogenetics. Such a tree represents historical evolutionary relationship between different species or organisms. Tree comparisons are used for multiple purposes, from unveiling the history of species to deciphering evolutionary associations amongorganisms and geographical areas.In the paper, we describe a general method for comparing hylogenetic trees....
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Ecotoxicological equilibria of triclosan inMicrotox, XenoScreen YES/YAS, Caco2, HEPG2 and liposomal systems are affected by the occurrence of other pharmaceutical and personal care emerging contaminants
PublicationContaminants of emerging concernmay be considered as any chemicals or factorswhose unintended continuous release and persistence in the environmentmay lead to any observable undesirable response of living beings. Still not much is known on reciprocal toxicological impact of given chemicals when present in binary or more complex mixtures. In thiswork, an attemptwas thus undertaken to study the impact of butylparaben,methylparaben and...
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Cross section calculations for electron scattering from platinum chemotherapeutic compounds
PublicationCross section for electron impact ionization of carboplatin, C6H12N2O4Pt, and oxaliplatin, C8H14N2O4Pt, have been calculated within binary-encounter-Bethe model for energies from the ionization threshold up to 5000 eV. Cross section for elastic electron scattering from carboplatin and oxaliplatin molecules have also been derived using independent atom method (IAM) and additivity rule for collision energies ranging from 50 eV to...
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NO-BROADCASTING OF NON-SIGNALLING BOXES VIA OPERATIONS WHICH TRANSFORM LOCAL BOXES INTO LOCAL ONES
PublicationWe deal with families of probability distributions satisfying non-signalling condition, called non-signalling boxes and consider a class of operations that transform local boxes into local ones (the one that admit LHV model). We prove that any operation from this class cannot broadcast a bipartite non-local box with 2 binary inputs and outputs. We consider a function called anti-Robustness which can not decrease under these operations....
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Functional specialisation and economic upgrading in GVCs
Open Research DataThe dataset collected for selected Central Eastern European (CEE) countries (CZE, EST, HUN, LVA, LTU, POL, SVK, SVN) contains country-level and sector-level observations for the project implementation linked to the concept of functional specialization of economies. The aim of the project is to identify patterns of functional specialisation in global...
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Trade-offs in multiparty Bell-inequality violations in qubit networks
PublicationTwo overlapping bipartite binary input Bell inequalities cannot be simultaneously violated as this would contradict the usual no-signalling principle. This property is known as monogamy of Bell inequality violations and generally Bell monogamy relations refer to trade-offs between simultaneous violations of multiple inequalities. It turns out that multipartite Bell inequalities admit weaker forms of monogamies that allow for violations...
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Implementation of magnitude calculation of complex numbers using improved alpha max plus beta min algorithm
PublicationThe paper presents the hardware implementation of the improved alpha max plus beta min algorithm for calculating the magnitude of complex numbers. This version of the algorithm requires the general division which is performed using a noniterative multiplicative division algorithm. We analyze in detail the division algorithm, its error and the impact of finite word-length signal representations on the assumed total computation error....
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Face Recognition: Shape versus Texture
PublicationThis paper describes experiments related to the application of well-known techniques of the texture feature extraction (Local Binary Patterns and Gabor filtering) to the problem of automatic face verification. Results of the tests show that simple image normalization strategy based on the eye center detection and a regular grid of fiducial points outperforms the more complicated approach, employing active models that are able to...
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A method for testing the wide-sense stationary uncorrelated scattering assumption fulfillment for an underwater acoustic channel
PublicationWide-sense stationary and uncorrelated scattering (WSSUS) assumptions are often applied for the statistical description of wireless communication channels. However, in the case of underwater acoustic channels the WSSUS model is of limited value. The degree of similarity of in-phase and quadrature components of the channel impulse response, measured with the use of bandpass modulated signals, can be used as an indicator of WSSUS...
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Pipelined division of signed numbers with the use of residue arithmetic for small number range with the programmable gate array
PublicationIn this work an architecture of the pipelined signed residue divider for the small number range is presented. Its operation is based on reciprocal calculation and multiplication by the dividend. The divisor in the signed binary form is used to compute the approximated reciprocal in the residue form by the table look-up. In order to limit the look-up table address an algorithm based on segmentation of the divisor into two segments...
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Analyzing sets of phylogenetic trees using metrics
PublicationThe reconstruction of evolutionary trees is one of the primary objectives in phylogenetics. Such a tree represents historical evolutionary relationships between different species or organisms. Tree comparisons are used for multiple purposes, from unveiling the history of species to deciphering evolutionary associations among organisms and geographical areas. In this paper, we describe a general method for comparing phylogenetictrees...
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Geometric Algebra Model of Distributed Representations
PublicationFormalism based on GA is an alternative to distributed representation models developed so far-Smolensky's tensor product, Holographic Reduced Representations (HRR) and Binary Spatter Code (BSC). Convolutions are replaced by geometric products, interpretable in terms of geometry which seems to be the most natural language for visualization of higher concepts. This paper recalls the main ideas behind the GA model and investigates...
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Band engineering of BiOBr based materials for photocatalytic wastewater treatment via advanced oxidation processes (AOPs) – A review
PublicationSemiconductor based photocatalysts have been an efficient technology for water and wastewater remediation, addressing the concepts of green chemistry and sustainable development. Owing to narrow and suitable band structure, BiOBr is a promising candidate for efficient wastewater treatment via photocatalysis. Enhancement of photocatalytic properties can be obtained by various techniques like doping, element rich strategy, facet...
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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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On DoA estimation for rotating arrays using stochastic maximum likelihood approach
PublicationThe flexibility needed to construct DoA estimators that can be used with rotating arrays subject to rapid variations of the signal frequency is offered by the stochastic maximum likelihood approach. Using a combination of analytic methods and Monte Carlo simulations, we show that for low and moderate source correlations the stochastic maximum likelihood estimator that assumes noncorrelated sources has accuracy comparable to the...