Search results for: simple linear regression analysis

Authors: Qiuling Xie, Shanliang Zhu, Zongdi Sun

Abstract:

In this paper, we analyzed the correlation relationship among PM2.5 from other five Air Quality Indices (AQIs) based on the grey relational degree, and built a multivariate nonlinear regression equation model of PM2.5 and the five monitoring indexes. For the optimal control problem of PM2.5, we took the partial large Cauchy distribution of membership equation as satisfaction function. We established a nonlinear programming model with the goal of maximum performance to price ratio. And the optimal control scheme is given.

Keywords: Grey relational degree, multiple linear regression, membership function, nonlinear programming.

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Authors: Anjaneyulu M.V.L.R., Harikrishna M., Chenchuobulu S.

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Rapid urbanization, industrialization and population growth have led to an increase in number of automobiles that cause air pollution. It is estimated that road traffic contributes 60% of air pollution in urban areas. A case by case assessment is required to predict the air quality in urban situations, so as to evolve certain traffic management measures to maintain the air quality levels with in the tolerable limits. Calicut city in the state of Kerala, India has been chosen as the study area. Carbon Monoxide (CO) concentration was monitored at 15 links in Calicut city and air quality performance was evaluated over each link. The CO pollutant concentration values were compared with the National Ambient Air Quality Standards (NAAQS), and the CO values were predicted by using CALINE4 and IITLS and Linear regression models. The study has revealed that linear regression model performs better than the CALINE4 and IITLS models. The possible association between CO pollutant concentration and traffic parameters like traffic flow, type of vehicle, and traffic stream speed was also evaluated.

Keywords: CO pollution, Modelling, Traffic stream parameters.

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Authors: G. Baskar, C. Muthukumaran, S. Renganathan

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Enzymatic hydrolysis of starch from natural sources finds potential application in commercial production of alcoholic beverage and bioethanol. In this study the effect of starch concentration, temperature, time and enzyme concentration were studied and optimized for hydrolysis of cassava (Manihot esculenta) starch powder (of mesh 80/120) into glucose syrup by immobilized (using Polyacrylamide gel) a-amylase using central composite design. The experimental result on enzymatic hydrolysis of cassava starch was subjected to multiple linear regression analysis using MINITAB 14 software. Positive linear effect of starch concentration, enzyme concentration and time was observed on hydrolysis of cassava starch by a-amylase. The statistical significance of the model was validated by F-test for analysis of variance (p < 0.01). The optimum value of starch concentration temperature, time and enzyme concentration were found to be 4.5% (w/v), 45oC, 150 min, and 1% (w/v) enzyme. The maximum glucose yield at optimum condition was 5.17 mg/mL.

Keywords: Enzymatic hydrolysis, Alcoholic beverage, Centralcomposite design, Polynomial model, glucose yield.

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Authors: Nadim Zgheib, Sivaramakrishnan Balachandar

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We present results on the initial formation of ripples from an initially flattened erodible bed. We use direct numerical simulations (DNS) of turbulent open channel flow over a fixed sinusoidal bed coupled with hydrodynamic stability analysis. We use the direct forcing immersed boundary method to account for the presence of the sediment bed. The resolved flow provides the bed shear stress and consequently the sediment transport rate, which is needed in the stability analysis of the Exner equation. The approach is different from traditional linear stability analysis in the sense that the phase lag between the bed topology, and the sediment flux is obtained from the DNS. We ran 11 simulations at a fixed shear Reynolds number of 180, but for different sediment bed wavelengths. The analysis allows us to sweep a large range of physical and modelling parameters to predict their effects on linear growth. The Froude number appears to be the critical controlling parameter in the early linear development of ripples, in contrast with the dominant role of particle Reynolds number during the equilibrium stage.

Keywords: Direct numerical simulation, immersed boundary method, sediment-bed interactions, turbulent multiphase flow, linear stability analysis.

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Authors: Chyn Liaw, Chun-Wei Tung, Shinn-Jang Ho, Shinn-Ying Ho

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The γ-turns play important roles in protein folding and molecular recognition. The prediction and analysis of γ-turn types are important for both protein structure predictions and better understanding the characteristics of different γ-turn types. This study proposed a physicochemical property-based decision tree (PPDT) method to interpretably predict γ-turn types. In addition to the good prediction performance of PPDT, three simple and human interpretable IF-THEN rules are extracted from the decision tree constructed by PPDT. The identified informative physicochemical properties and concise rules provide a simple way for discriminating and understanding γ-turn types.

Keywords: Classification and regression tree (CART), γ-turn, Physicochemical properties, Protein secondary structure.

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Authors: N.Peatciyammal, B.Balachandar, M.Dinesh Kumar, K.Tamilarasan, C.Muthukumaran

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Enzymatic hydrolysis of starch from natural sources finds potential application in commercial production of alcoholic beverage and bioethanol. In this study the effect of starch concentration, temperature, time and enzyme concentration were studied and optimized for hydrolysis of Potato starch powder (of mesh 80/120) into glucose syrup by immobilized (using Sodium arginate) α-amylase using central composite design. The experimental result on enzymatic hydrolysis of Potato starch was subjected to multiple linear regression analysis using MINITAB 14 software. Positive linear effect of starch concentration, enzyme concentration and time was observed on hydrolysis of Potato starch by α-amylase. The statistical significance of the model was validated by F-test for analysis of variance (p ≤ 0.01). The optimum value of starch concentration, enzyme concentration, temperature, time and were found to be 6% (w/v), 2% (w/v), 40°C and 80min respectively. The maximum glucose yield at optimum condition was 2.34 mg/mL.

Keywords: Alcoholic beverage, Central Composite Design, Enzymatic hydrolysis, Glucose yield, Potato Starch.

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Authors: S. Benchelha, H. C. Aoudjehane, M. Hakdaoui, R. El Hamdouni, H. Mansouri, T. Benchelha, M. Layelmam, M. Alaoui

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The logistic regression (LR) and multivariate adaptive regression spline (MarSpline) are applied and verified for analysis of landslide susceptibility map in Oudka, Morocco, using geographical information system. From spatial database containing data such as landslide mapping, topography, soil, hydrology and lithology, the eight factors related to landslides such as elevation, slope, aspect, distance to streams, distance to road, distance to faults, lithology map and Normalized Difference Vegetation Index (NDVI) were calculated or extracted. Using these factors, landslide susceptibility indexes were calculated by the two mentioned methods. Before the calculation, this database was divided into two parts, the first for the formation of the model and the second for the validation. The results of the landslide susceptibility analysis were verified using success and prediction rates to evaluate the quality of these probabilistic models. The result of this verification was that the MarSpline model is the best model with a success rate (AUC = 0.963) and a prediction rate (AUC = 0.951) higher than the LR model (success rate AUC = 0.918, rate prediction AUC = 0.901).

Keywords: Landslide susceptibility mapping, regression logistic, multivariate adaptive regression spline, Oudka, Taounate, Morocco.

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Authors: Sallem F., Dahhou B., Kamoun A.

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In this work, the main problem considered is the  detection and the isolation of the actuator fault. A new formulation of  the linear system is generated to obtain the conditions of the actuator  fault diagnosis. The proposed method is based on the representation  of the actuator as a subsystem connected with the process system in  cascade manner. The designed formulation is generated to obtain the  conditions of the actuator fault detection and isolation. Detectability  conditions are expressed in terms of the invertibility notions. An  example and a comparative analysis with the classic formulation  illustrate the performances of such approach for simple actuator fault  diagnosis by using the linear model of nuclear reactor.

 

Keywords: Actuator fault, Fault detection, left invertibility, nuclear reactor, observability, parameter intervals, system inversion.

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Authors: Osama Yusuf Ababneh

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For the last years, the variants of the Newton-s method with cubic convergence have become popular iterative methods to find approximate solutions to the roots of non-linear equations. These methods both enjoy cubic convergence at simple roots and do not require the evaluation of second order derivatives. In this paper, we present a new Newton-s method based on contra harmonic mean with cubically convergent. Numerical examples show that the new method can compete with the classical Newton's method.

Keywords: Third-order convergence, non-linear equations, root finding, iterative method.

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Authors: Hussain A. Alkharusi, Said S. Aldhafri, Hilal Z. Alnabhani, Muna Alkalbani

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Analyzing classroom assessments is one of the responsibilities of the teacher. It aims improving teacher’s instruction and assessment as well as student learning. The present study investigated factors that might explain variation in teachers’ practices regarding analysis of classroom assessments. The factors considered in the investigation included gender, in-service assessment training, teaching load, teaching experience, knowledge in assessment, attitude towards quantitative aspects of assessment, and self-perceived competence in analyzing assessments. Participants were 246 in-service teachers in Oman. Results of a stepwise multiple linear regression analysis revealed that self-perceived competence was the only significant factor explaining the variance in teachers’ analysis of assessments. Implications for research and practice are discussed.

 

Keywords: Analysis of assessment, Classroom assessment, In-service teachers, Self-competence.

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Authors: Norazah Mohd Suki, Norbayah Mohd Suki

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Online shopping enables consumers to search for information and purchase products or services through direct interaction with online store. This study aims to examine the effect of Internet marketing environment, product characteristics, familiarity and confidence, and promotional offers on consumer online shopping behavior. 200 questionnaires were distributed to the respondents, who are students and staff at a public university in the Federal Territory of Labuan, Malaysia, following simple random sampling as a means of data collection. Multiple regression analysis was used as a statistical measure to determine the strength of the relationship between one dependent variable and a series of other independent variables. Results revealed that familiarity and confidence was found to greatly influence consumer online shopping behavior followed by promotional offers. A clear understanding of consumer online shopping behavior can help marketing managers predict the online shopping rate and evaluate the future growth of online commerce.

Keywords: Internet Marketing Environment, Product Characteristics, Multiple Regression Analysis, Malaysia.

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Authors: Rafael Jorge Menezes Santos, Ginalber Luiz de Oliveira Serra, Carlos César Teixeira Ferreira

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This paper proposes a methodology for analysis of the dynamic behavior of a robotic manipulator in continuous time. Initially this system (nonlinear system) will be decomposed into linear submodels and analyzed in the context of the Linear and Parameter Varying (LPV) Systems. The obtained linear submodels, which represent the local dynamic behavior of the robotic manipulator in some operating points were grouped in a Takagi-Sugeno fuzzy structure. The obtained fuzzy model was analyzed and validated through analog simulation, as universal approximator of the robotic manipulator.

Keywords: modeling of nonlinear dynamic systems, Takagi- Sugeno fuzzy model, Linear and Parameter Varying (LPV) System.

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Authors: Ali Nourollah, Mohsen Movahedinejad

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In this paper a new algorithm to generate random simple polygons from a given set of points in a two dimensional plane is designed. The proposed algorithm uses a genetic algorithm to generate polygons with few vertices. A new merge algorithm is presented which converts any two polygons into a simple polygon. This algorithm at first changes two polygons into a polygonal chain and then the polygonal chain is converted into a simple polygon. The process of converting a polygonal chain into a simple polygon is based on the removal of intersecting edges. The experiments results show that the proposed algorithm has the ability to generate a great number of different simple polygons and has better performance in comparison to celebrated algorithms such as space partitioning and steady growth.

Keywords: Divide and conquer, genetic algorithm, merge polygons, Random simple polygon generation.

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Authors: A. H. Fatah, A. H. Ahmed

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Levenberg-Marquardt method (LM) was proposed to be applied as a non-linear least-square fitting in the analysis of a natural gamma-ray spectrum that was taken by the Hp (Ge) detector. The Gaussian function that composed of three components, main Gaussian, a step background function and tailing function in the lowenergy side, has been suggested to describe each of the y-ray lines mathematically in the spectrum. The whole spectrum has been analyzed by determining the energy and relative intensity for the strong y-ray lines.

Keywords: Gamma-Ray, Spectrum analysis, Non-linear leastsquare fitting.

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Authors: Mehdi Ghayoumi

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We have applied new accelerated algorithm for linear discriminate analysis (LDA) in face recognition with support vector machine. The new algorithm has the advantage of optimal selection of the step size. The gradient descent method and new algorithm has been implemented in software and evaluated on the Yale face database B. The eigenfaces of these approaches have been used to training a KNN. Recognition rate with new algorithm is compared with gradient.

Keywords: lda, adaptive, svm, face recognition.

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Authors: Etienne Provencal, David L. St-Pierre

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A facility exploiting only electronic gambling machines (EGMs) opened in 2007 in Quebec City, Canada under the name of Salons de Jeux du Québec (SdjQ). This facility is one of the first worldwide to rely on that business model. This paper models the performance of such EGMs. The interest from a managerial point of view is to identify the variables that can be controlled or influenced so that a comprehensive model can help improve the overall performance of the business. The EGM individual performance model contains eight different variables under study (Game Title, Progressive jackpot, Bonus Round, Minimum Coin-in, Maximum Coin-in, Denomination, Slant Top and Position). Using data from Quebec City’s SdjQ, a linear regression analysis explains 90.80% of the EGM performance. Moreover, results show a behavior slightly different than that of a casino. The addition of GameTitle as a factor to predict the EGM performance is one of the main contributions of this paper. The choice of the game (GameTitle) is very important. Games having better position do not have significantly better performance than games located elsewhere on the gaming floor. Progressive jackpots have a positive and significant effect on the individual performance of EGMs. The impact of BonusRound on the dependent variable is significant but negative. The effect of Denomination is significant but weakly negative. As expected, the Language of an EGMS does not impact its individual performance. This paper highlights some possible improvements by indicating which features are performing well. Recommendations are given to increase the performance of the EGMs performance.

Keywords: EGM, linear regression, model prediction, slot operations.

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Authors: Salah R. Al Zaidee, Ali S. Mahdi

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Except for simple problems of statically determinate structures, optimum design problems in structural engineering have implicit objective functions where structural analysis and design are essential within each searching loop. With these implicit functions, the structural engineer is usually enforced to write his/her own computer code for analysis, design, and searching for optimum design among many feasible candidates and cannot take advantage of available software for structural analysis, design, and searching for the optimum solution. The meta-model is a regression model used to transform an implicit objective function into objective one and leads in turn to decouple the structural analysis and design processes from the optimum searching process. With the meta-model, well-known software for structural analysis and design can be used in sequence with optimum searching software. In this paper, the meta-model has been used to develop an explicit objective function for plane steel frames subjected to dead, live, and seismic forces. Frame topology is assumed as predefined based on architectural and functional requirements. Columns and beams sections and different connections details are the main design variables in this study. Columns and beams are grouped to reduce the number of design variables and to make the problem similar to that adopted in engineering practice. Data for the implicit objective function have been generated based on analysis and assessment for many design proposals with CSI SAP software. These data have been used later in SPSS software to develop a pure quadratic nonlinear regression model for the explicit objective function. Good correlations with a coefficient, R², in the range from 0.88 to 0.99 have been noted between the original implicit functions and the corresponding explicit functions generated with meta-model.

Keywords: Meta-modal, objective function, steel frames, seismic analysis, design.

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Authors: Darren Zou

Abstract:

Forecasting the stock market is a very challenging task. Various economic indicators such as GDP, exchange rates, interest rates, and unemployment have a substantial impact on the stock market. Time series models are the traditional methods used to predict stock market changes. In this paper, a machine learning method, Bayesian Additive Regression Tree (BART) is used in predicting stock market indexes based on multiple economic indicators. BART can be used to model heterogeneous treatment effects, and thereby works well when models are misspecified. It also has the capability to handle non-linear main effects and multi-way interactions without much input from financial analysts. In this research, BART is proposed to provide a reliable prediction on day-to-day stock market activities. By comparing the analysis results from BART and with time series method, BART can perform well and has better prediction capability than the traditional methods.

Keywords: Bayesian, Forecast, Stock, BART.

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Authors: Elias K. Maragos, Petros E. Maravelakis

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In Dynamic Data Envelopment Analysis (DDEA), which is a subfield of Data Envelopment Analysis (DEA), the productivity of Decision Making Units (DMUs) is considered in relation to time. In this case, as it is accepted by the most of the researchers, there are outputs, which are produced by a DMU to be used as inputs in a future time. Those outputs are known as intermediates. The common models, in DDEA, do not take into account the shape of the distribution of those inputs, outputs or intermediates data, assuming that the distribution of the virtual value of them does not deviate from linearity. This weakness causes the limitation of the accuracy of the analytical power of the traditional DDEA models. In this paper, the authors, using the concept of piecewise linear inputs and outputs, propose an extended DDEA model. The proposed model increases the flexibility of the traditional DDEA models and improves the measurement of the dynamic performance of DMUs.

Keywords: Data envelopment analysis, Dynamic DEA, Piecewise linear inputs, Piecewise linear outputs.

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Authors: S. H. Nasseri, E. Ardil, A. Yazdani, R. Zaefarian

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The fuzzy set theory has been applied in many fields, such as operations research, control theory, and management sciences, etc. In particular, an application of this theory in decision making problems is linear programming problems with fuzzy numbers. In this study, we present a new method for solving fuzzy number linear programming problems, by use of linear ranking function. In fact, our method is similar to simplex method that was used for solving linear programming problems in crisp environment before.

Keywords: Fuzzy number linear programming, rankingfunction, simplex method.

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Authors: Satoshi Usami

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Among various HLM techniques, the Multivariate Hierarchical Linear Model (MHLM) is desirable to use, particularly when multivariate criterion variables are collected and the covariance structure has information valuable for data analysis. In order to reflect prior information or to obtain stable results when the sample size and the number of groups are not sufficiently large, the Bayes method has often been employed in hierarchical data analysis. In these cases, although the Markov Chain Monte Carlo (MCMC) method is a rather powerful tool for parameter estimation, Procedures regarding MCMC have not been formulated for MHLM. For this reason, this research presents concrete procedures for parameter estimation through the use of the Gibbs samplers. Lastly, several future topics for the use of MCMC approach for HLM is discussed.

Keywords: Gibbs sampler, Hierarchical Linear Model, Markov Chain Monte Carlo, Multivariate Hierarchical Linear Model

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Authors: Guangbin Wang, Liangliang Li, Fuping Tan

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In this paper, we give the generalized alternating twostage method in which the inner iterations are accomplished by a generalized alternating method. And we present convergence results of the method for solving nonsingular linear systems when the coefficient matrix of the linear system is a monotone matrix or an H-matrix.

Keywords: Generalized alternating two-stage method, linear system, convergence.

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Authors: Keny Ordaz-Hernandez, Xavier Fischer, Fouad Bennis

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In a particular case of behavioural model reduction by ANNs, a validity domain shortening has been found. In mechanics, as in other domains, the notion of validity domain allows the engineer to choose a valid model for a particular analysis or simulation. In the study of mechanical behaviour for a cantilever beam (using linear and non-linear models), Multi-Layer Perceptron (MLP) Backpropagation (BP) networks have been applied as model reduction technique. This reduced model is constructed to be more efficient than the non-reduced model. Within a less extended domain, the ANN reduced model estimates correctly the non-linear response, with a lower computational cost. It has been found that the neural network model is not able to approximate the linear behaviour while it does approximate the non-linear behaviour very well. The details of the case are provided with an example of the cantilever beam behaviour modelling.

Keywords: artificial neural network, validity domain, cantileverbeam, non-linear behaviour, model reduction.

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Authors: Delaram Jarchi, Reza Boostani

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Linear Discrimination Analysis (LDA) is a linear solution for classification of two classes. In this paper, we propose a variant LDA method for multi-class problem which redefines the between class and within class scatter matrices by incorporating a weight function into each of them. The aim is to separate classes as much as possible in a situation that one class is well separated from other classes, incidentally, that class must have a little influence on classification. It has been suggested to alleviate influence of classes that are well separated by adding a weight into between class scatter matrix and within class scatter matrix. To obtain a simple and effective weight function, ordinary LDA between every two classes has been used in order to find Fisher discrimination value and passed it as an input into two weight functions and redefined between class and within class scatter matrices. Experimental results showed that our new LDA method improved classification rate, on glass, iris and wine datasets, in comparison to different versions of LDA.

Keywords: Discriminant vectors, weighted LDA, uncorrelation, principle components, Fisher-face method, Bootstarp method.

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Authors: Anjali Chatterjee, Nirmal Kumar Roy

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Economically transformers constitute one of the largest investments in a Power system. For this reason, transformer condition assessment and management is a high priority task. If a transformer fails, it would have a significant negative impact on revenue and service reliability. Monitoring the state of health of power transformers has traditionally been carried out using laboratory Dissolved Gas Analysis (DGA) tests performed at periodic intervals on the oil sample, collected from the transformers. DGA of transformer oil is the single best indicator of a transformer-s overall condition and is a universal practice today, which started somewhere in the 1960s. Failure can occur in a transformer due to different reasons. Some failures can be limited or prevented by maintenance. Oil filtration is one of the methods to remove the dissolve gases and prevent the deterioration of the oil. In this paper we analysis the DGA data by regression method and predict the gas concentration in the oil in the future. We bring about a comparative study of different traditional methods of regression and the errors generated out of their predictions. With the help of these data we can deduce the health of the transformer by finding the type of fault if it has occurred or will occur in future. Additional in this paper effect of filtration on the transformer health is highlight by calculating the probability of failure of a transformer with and without oil filtrating.

Keywords: Power Transformers, Dissolve gas Analysis, Regression method, Filtration, oil.

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Authors: Chaudhuri Manoj Kumar Swain, Susmita Das

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This paper explores a detailed procedure of predicting a path loss (PL) model and its application in estimating the coverage probability in a WiMAX network. For this a hybrid approach is followed in predicting an empirical PL model of a 2.65 GHz WiMAX network deployed in a suburban environment. Data collection, statistical analysis, and regression analysis are the phases of operations incorporated in this approach and the importance of each of these phases has been discussed properly. The procedure of collecting data such as received signal strength indicator (RSSI) through experimental set up is demonstrated. From the collected data set, empirical PL and RSSI models are predicted with regression technique. Furthermore, with the aid of the predicted PL model, essential parameters such as PL exponent as well as the coverage probability of the network are evaluated. This research work may assist in the process of deployment and optimisation of any cellular network significantly.

Keywords: WiMAX, RSSI, path loss, coverage probability, regression analysis.

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Authors: M. Najafi, F. Rahimi Dehgolan

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In this paper, the dynamic modeling of a single-link flexible beam with a tip mass is given by using Hamilton's principle. The link has been rotational and translational motion and it was assumed that the beam is moving with a harmonic velocity about a constant mean velocity. Non-linearity has been introduced by including the non-linear strain to the analysis. Dynamic model is obtained by Euler-Bernoulli beam assumption and modal expansion method. Also, the effects of rotary inertia, axial force, and associated boundary conditions of the dynamic model were analyzed. Since the complex boundary value problem cannot be solved analytically, the multiple scale method is utilized to obtain an approximate solution. Finally, the effects of several conditions on the differences among the behavior of the non-linear term, mean velocity on natural frequencies and the system stability are discussed.

Keywords: Non-linear vibration, stability, axially moving beam, bifurcation, multiple scales method.

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Authors: Taiki Baba, Tomoaki Hashimoto

Abstract:

The random dither quantization method enables us to achieve much better performance than the simple uniform quantization method for the design of quantized control systems. Motivated by this fact, the stochastic model predictive control method in which a performance index is minimized subject to probabilistic constraints imposed on the state variables of systems has been proposed for linear feedback control systems with random dither quantization. In other words, a method for solving optimal control problems subject to probabilistic state constraints for linear discrete-time control systems with random dither quantization has been already established. To our best knowledge, however, the feasibility of such a kind of optimal control problems has not yet been studied. Our objective in this paper is to investigate the feasibility of stochastic model predictive control problems for linear discrete-time control systems with random dither quantization. To this end, we provide the results of numerical simulations that verify the feasibility of stochastic model predictive control problems for linear discrete-time control systems with random dither quantization.

Keywords: Model predictive control, stochastic systems, probabilistic constraints, random dither quantization.

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Authors: Azeemsha Thacham Poyil, Nasimudeen KM

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This research paper presents some methods to assess the performance of Wigner Ville Distribution for Time-Frequency representation of non-stationary signals, in comparison with the other representations like STFT, Spectrogram etc. The simultaneous timefrequency resolution of WVD is one of the important properties which makes it preferable for analysis and detection of linear FM and transient signals. There are two algorithms proposed here to assess the resolution and to compare the performance of signal detection. First method is based on the measurement of area under timefrequency plot; in case of a linear FM signal analysis. A second method is based on the instantaneous power calculation and is used in case of transient, non-stationary signals. The implementation is explained briefly for both methods with suitable diagrams. The accuracy of the measurements is validated to show the better performance of WVD representation in comparison with STFT and Spectrograms.

Keywords: WVD: Wigner Ville Distribution, STFT: Short Time Fourier Transform, FT: Fourier Transform, TFR: Time-Frequency Representation, FM: Frequency Modulation, LFM Signal: Linear FM Signal, JTFA: Joint time frequency analysis.

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Authors: M. Bodner, M. Scampicchio

Abstract:

Fourier Transform Infrared (FT-IR) spectroscopy coupled with chemometrics was used to distinguish between butter samples and non-butter samples. Further, quantification of the content of margarine in adulterated butter samples was investigated. Fingerprinting region (1400-800 cm^–1) was used to develop unsupervised pattern recognition (Principal Component Analysis, PCA), supervised modeling (Soft Independent Modelling by Class Analogy, SIMCA), classification (Partial Least Squares Discriminant Analysis, PLS-DA) and regression (Partial Least Squares Regression, PLS-R) models. PCA of the fingerprinting region shows a clustering of the two sample types. All samples were classified in their rightful class by SIMCA approach; however, nine adulterated samples (between 1% and 30% w/w of margarine) were classified as belonging both at the butter class and at the non-butter one. In the two-class PLS-DA model’s (R² = 0.73, RMSEP, Root Mean Square Error of Prediction = 0.26% w/w) sensitivity was 71.4% and Positive Predictive Value (PPV) 100%. Its threshold was calculated at 7% w/w of margarine in adulterated butter samples. Finally, PLS-R model (R² = 0.84, RMSEP = 16.54%) was developed. PLS-DA was a suitable classification tool and PLS-R a proper quantification approach. Results demonstrate that FT-IR spectroscopy combined with PLS-R can be used as a rapid, simple and safe method to identify pure butter samples from adulterated ones and to determine the grade of adulteration of margarine in butter samples.

Keywords: Adulterated butter, margarine, PCA, PLS-DA, PLS-R, SIMCA.

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