Search results for: predicting models

Authors: Ventura Assuncao

Abstract:

In automotive systems almost all steps concerning the calibration of several control systems, e.g., low idle governor or boost pressure governor, are made with the vehicle because the timeto- production and cost requirements on the projects do not allow for the vehicle analysis necessary to build reliable models. Here is presented a procedure using parametric and NN (neural network) models that enables the generation of vehicle system models based on normal ECU engine control unit) vehicle measurements. These models are locally valid and permit pre and follow-up calibrations so that, only the final calibrations have to be done with the vehicle.

Keywords: Automotive systems, neuro-hybrid models, demodulator, nonlinear systems, identification, and neural networks.

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Authors: Mohamed A. Khlifi, Badr M. Alshammari

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This paper discusses the general methods to saturation in the steady-state, two axis (d & q) frame models of synchronous machines. In particular, the important role of the magnetic coupling between the d-q axes (cross-magnetizing phenomenon), is demonstrated. For that purpose, distinct methods of saturation modeling of dumper synchronous machine with cross-saturation are identified, and detailed models synthesis in d-q axes. A number of models are given in the final developed form. The procedure and the novel models are verified by a critical application to prove the validity of the method and the equivalence between all developed models is reported. Advantages of some of the models over the existing ones and their applicability are discussed.

Keywords: Cross-magnetizing, models synthesis, synchronous machine, saturated modeling, state-space vectors.

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Authors: Farzin Salmasi

Abstract:

Energy dissipation in drops has been investigated by physical models. After determination of effective parameters on the phenomenon, three drops with different heights have been constructed from Plexiglas. They have been installed in two existing flumes in the hydraulic laboratory. Several runs of physical models have been undertaken to measured required parameters for determination of the energy dissipation. Results showed that the energy dissipation in drops depend on the drop height and discharge. Predicted relative energy dissipations varied from 10.0% to 94.3%. This work has also indicated that the energy loss at drop is mainly due to the mixing of the jet with the pool behind the jet that causes air bubble entrainment in the flow. Statistical model has been developed to predict the energy dissipation in vertical drops denotes nonlinear correlation between effective parameters. Further an artificial neural networks (ANNs) approach was used in this paper to develop an explicit procedure for calculating energy loss at drops using NeuroSolutions. Trained network was able to predict the response with R2 and RMSE 0.977 and 0.0085 respectively. The performance of ANN was found effective when compared to regression equations in predicting the energy loss.

Keywords: Air bubble, drop, energy loss, hydraulic jump, NeuroSolutions

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Authors: Entisar A. Elgmati

Abstract:

Recurrent event data is a special type of multivariate survival data. Dynamic and frailty models are one of the approaches that dealt with this kind of data. A comparison between these two models is studied using the empirical standard deviation of the standardized martingale residual processes as a way of assessing the fit of the two models based on the Aalen additive regression model. Here we found both approaches took heterogeneity into account and produce residual standard deviations close to each other both in the simulation study and in the real data set.

Keywords: Dynamic, frailty, misspecification, recurrent events.

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Authors: M.R. Mustafa, M.H. Isa, R.B. Rezaur

Abstract:

Prediction of highly non linear behavior of suspended sediment flow in rivers has prime importance in the field of water resources engineering. In this study the predictive performance of two Artificial Neural Networks (ANNs) namely, the Radial Basis Function (RBF) Network and the Multi Layer Feed Forward (MLFF) Network have been compared. Time series data of daily suspended sediment discharge and water discharge at Pari River was used for training and testing the networks. A number of statistical parameters i.e. root mean square error (RMSE), mean absolute error (MAE), coefficient of efficiency (CE) and coefficient of determination (R2) were used for performance evaluation of the models. Both the models produced satisfactory results and showed a good agreement between the predicted and observed data. The RBF network model provided slightly better results than the MLFF network model in predicting suspended sediment discharge.

Keywords: ANN, discharge, modeling, prediction, suspendedsediment,

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Authors: Li Yu, Chenlu Jiao, Hongrun Xin, Yan Wang, Kaiyang Wang

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In order to study the impact of various factors on the housing price, we propose to build different prediction models based on deep learning to determine the existing data of the real estate in order to more accurately predict the housing price or its changing trend in the future. Considering that the factors which affect the housing price vary widely, the proposed prediction models include two categories. The first one is based on multiple characteristic factors of the real estate. We built Convolution Neural Network (CNN) prediction model and Long Short-Term Memory (LSTM) neural network prediction model based on deep learning, and logical regression model was implemented to make a comparison between these three models. Another prediction model is time series model. Based on deep learning, we proposed an LSTM-1 model purely regard to time series, then implementing and comparing the LSTM model and the Auto-Regressive and Moving Average (ARMA) model. In this paper, comprehensive study of the second-hand housing price in Beijing has been conducted from three aspects: crawling and analyzing, housing price predicting, and the result comparing. Ultimately the best model program was produced, which is of great significance to evaluation and prediction of the housing price in the real estate industry.

Keywords: Deep learning, convolutional neural network, LSTM, housing prediction.

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Authors: Tessy Badriyah, Jim S. Briggs, Dave R. Prytherch

Abstract:

It is well known that Logistic Regression is the gold standard method for predicting clinical outcome, especially predicting risk of mortality. In this paper, the Decision Tree method has been proposed to solve specific problems that commonly use Logistic Regression as a solution. The Biochemistry and Haematology Outcome Model (BHOM) dataset obtained from Portsmouth NHS Hospital from 1 January to 31 December 2001 was divided into four subsets. One subset of training data was used to generate a model, and the model obtained was then applied to three testing datasets. The performance of each model from both methods was then compared using calibration (the χ2 test or chi-test) and discrimination (area under ROC curve or c-index). The experiment presented that both methods have reasonable results in the case of the c-index. However, in some cases the calibration value (χ2) obtained quite a high result. After conducting experiments and investigating the advantages and disadvantages of each method, we can conclude that Decision Trees can be seen as a worthy alternative to Logistic Regression in the area of Data Mining.

Keywords: Decision Trees, Logistic Regression, clinical outcome, risk of mortality.

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Authors: Yogesh Aggarwal, Paratibha Aggarwal

Abstract:

The paper presents a comparative performance of the models developed to predict 28 days compressive strengths using neural network techniques for data taken from literature (ANN-I) and data developed experimentally for SCC containing bottom ash as partial replacement of fine aggregates (ANN-II). The data used in the models are arranged in the format of six and eight input parameters that cover the contents of cement, sand, coarse aggregate, fly ash as partial replacement of cement, bottom ash as partial replacement of sand, water and water/powder ratio, superplasticizer dosage and an output parameter that is 28-days compressive strength and compressive strengths at 7 days, 28 days, 90 days and 365 days, respectively for ANN-I and ANN-II. The importance of different input parameters is also given for predicting the strengths at various ages using neural network. The model developed from literature data could be easily extended to the experimental data, with bottom ash as partial replacement of sand with some modifications.

Keywords: Self compacting concrete, bottom ash, strength, prediction, neural network, importance factor.

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Authors: Stephen Akuma, Timothy Ndera

Abstract:

Information seekers get “lost in hyperspace” due to the voluminous documents updated daily on the internet. Adaptive Hypermedia Systems (AHS) are used to direct learners to their target goals. One of the most common AHS designed to help information seekers to overcome the problem of information overload is the Adaptive Education Hypermedia System (AEHS). However, this paper focuses on AEHS that adopts the learning preference of high school students and deliver learning content according to this preference throughout their learning experience. The research developed a prototype system for predicting students’ learning preference from the Visual, Aural, Read-Write and Kinesthetic (VARK) learning style model and adopting the learning content suitable to their preference. The predicting strength of several classifiers was compared and we found Support Vector Machine (SVM) to be more accurate in predicting learning style based on users’ preferences.

Keywords: Hypermedia, adaptive education, learning style, lesson content, user profile, prediction, feedback, adaptive hypermedia, learning style.

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Authors: Haidy S. Ghali, Engy Serag, A. Samer Ezeldin

Abstract:

Copper is an essential raw material used in the construction industry. During 2021 and the first half of 2022, the global market suffered from a significant fluctuation in copper raw material prices due to the aftermath of both the COVID-19 pandemic and the Russia-Ukraine war which exposed its consumers to an unexpected financial risk. Thereto, this paper aims to develop two hybrid price prediction models using artificial neural network and long short-term memory (ANN-LSTM), by Python, that can forecast the average monthly copper prices, traded in the London Metal Exchange; the first model is a multivariate model that forecasts the copper price of the next 1-month and the second is a univariate model that predicts the copper prices of the upcoming three months. Historical data of average monthly London Metal Exchange copper prices are collected from January 2009 till July 2022 and potential external factors are identified and employed in the multivariate model. These factors lie under three main categories: energy prices, and economic indicators of the three major exporting countries of copper depending on the data availability. Before developing the LSTM models, the collected external parameters are analyzed with respect to the copper prices using correlation, and multicollinearity tests in R software; then, the parameters are further screened to select the parameters that influence the copper prices. Then, the two LSTM models are developed, and the dataset is divided into training, validation, and testing sets. The results show that the performance of the 3-month prediction model is better than the 1-month prediction model; but still, both models can act as predicting tools for diverse economic situations.

Keywords: Copper prices, prediction model, neural network, time series forecasting.

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Authors: J. Cheeneebash, K. B. Lallmamode, A. Gopaul

Abstract:

Throughout this paper, a relatively new technique, the Tabu search variable selection model, is elaborated showing how it can be efficiently applied within the financial world whenever researchers come across the selection of a subset of variables from a whole set of descriptive variables under analysis. In the field of financial prediction, researchers often have to select a subset of variables from a larger set to solve different type of problems such as corporate bankruptcy prediction, personal bankruptcy prediction, mortgage, credit scoring and the Arbitrage Pricing Model (APM). Consequently, to demonstrate how the method operates and to illustrate its usefulness as well as its superiority compared to other commonly used methods, the Tabu search algorithm for variable selection is compared to two main alternative search procedures namely, the stepwise regression and the maximum R 2 improvement method. The Tabu search is then implemented in finance; where it attempts to predict corporate bankruptcy by selecting the most appropriate financial ratios and thus creating its own prediction score equation. In comparison to other methods, mostly the Altman Z-Score model, the Tabu search model produces a higher success rate in predicting correctly the failure of firms or the continuous running of existing entities.

Keywords: Predicting Bankruptcy, Tabu Search

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Authors: Kaziyev G. Z., Nabiyeva G. S., Kalizhanova A.U.

Abstract:

We consider herein a concise view of discreet programming models and methods. There has been conducted the models and methods analysis. On the basis of discreet programming models there has been elaborated and offered a new class of problems, i.e. block-symmetry models and methods of applied tasks statements and solutions.

Keywords: Discreet programming, block-symmetry, analysis methods, information systems development.

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Authors: Omer F. Cansiz, Said M. Easa

Abstract:

The purpose of this study is mainly to predict collision frequency on the horizontal tangents combined with vertical curves using artificial neural network methods. The proposed ANN models are compared with existing regression models. First, the variables that affect collision frequency were investigated. It was found that only the annual average daily traffic, section length, access density, the rate of vertical curvature, smaller curve radius before and after the tangent were statistically significant according to related combinations. Second, three statistical models (negative binomial, zero inflated Poisson and zero inflated negative binomial) were developed using the significant variables for three alignment combinations. Third, ANN models are developed by applying the same variables for each combination. The results clearly show that the ANN models have the lowest mean square error value than those of the statistical models. Similarly, the AIC values of the ANN models are smaller to those of the regression models for all the combinations. Consequently, the ANN models have better statistical performances than statistical models for estimating collision frequency. The ANN models presented in this paper are recommended for evaluating the safety impacts 3D alignment elements on horizontal tangents.

Keywords: Collision frequency, horizontal tangent, 3D two-lane highway, negative binomial, zero inflated Poisson, artificial neural network.

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Authors: Y. N. Phang, E. F. Loh

Abstract:

The zero inflated models are usually used in modeling count data with excess zeros where the existence of the excess zeros could be structural zeros or zeros which occur by chance. These type of data are commonly found in various disciplines such as finance, insurance, biomedical, econometrical, ecology, and health sciences which involve sex and health dental epidemiology. The most popular zero inflated models used by many researchers are zero inflated Poisson and zero inflated negative binomial models. In addition, zero inflated generalized Poisson and zero inflated double Poisson models are also discussed and found in some literature. Recently zero inflated inverse trinomial model and zero inflated strict arcsine models are advocated and proven to serve as alternative models in modeling overdispersed count data caused by excessive zeros and unobserved heterogeneity. The purpose of this paper is to review some related literature and provide a variety of examples from different disciplines in the application of zero inflated models. Different model selection methods used in model comparison are discussed.

Keywords: Overdispersed count data, model selection methods, likelihood ratio, AIC, BIC.

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Authors: Alfred L. Guiffrida

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A review of the literature on supply chain delivery models which use delivery windows to measure delivery performance is presented. The review herein serves to meet the following objectives: (i) provide a synthesis of previously published literature on supply chain delivery performance models, (ii) provide in one paper a consolidation of research that can serve as a single source to keep researchers up to date with the research developments in supply chain delivery models, and (iii) identify gaps in the modeling of supply chain delivery performance which could stimulate new research agendas.

Keywords: Delivery performance, Delivery window, Supply chain delivery models, Supply chain performance.

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Authors: A. M. Hassanain, Nader M. A. Mohamed, M. Naguib Aly, Alya A. Badawi, M. A. Gaheen

Abstract:

The thermal, epithermal and fast fluxes were calculated for three irradiation channels at Egypt Second Research Reactor (ETRR-2) using CITVAP code. The validity of the calculations was verified by experimental measurements. There are some deviations between measurements and calculations. This is due to approximations in the calculation models used, homogenization of regions, condensation of energy groups and uncertainty in nuclear data used. Neutron flux data for the three irradiation channels are now available. This would enable predicting the irradiation conditions needed for future radioisotope production.

Keywords: ETRR-2, Neutron flux, Radioisotope production, CITVAP

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Authors: Hyun-Woo Cho

Abstract:

Detection of incipient abnormal events is important to improve safety and reliability of machine operations and reduce losses caused by failures. Improper set-ups or aligning of parts often leads to severe problems in many machines. The construction of prediction models for predicting faulty conditions is quite essential in making decisions on when to perform machine maintenance. This paper presents a multivariate calibration monitoring approach based on the statistical analysis of machine measurement data. The calibration model is used to predict two faulty conditions from historical reference data. This approach utilizes genetic algorithms (GA) based variable selection, and we evaluate the predictive performance of several prediction methods using real data. The results shows that the calibration model based on supervised probabilistic principal component analysis (SPPCA) yielded best performance in this work. By adopting a proper variable selection scheme in calibration models, the prediction performance can be improved by excluding non-informative variables from their model building steps.

Keywords: Prediction, operation monitoring, on-line data, nonlinear statistical methods, empirical model.

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Authors: Abdelghafour Galadi

Abstract:

In this paper, accurate power MOSFET models including quasi-saturation effect are presented. These models have no internal node voltages determined by the circuit simulator and use one JFET or one depletion mode MOSFET transistors controlled by an “effective” gate voltage taking into account the quasi-saturation effect. The proposed models achieve accurate simulation results with an average error percentage less than 9%, which is an improvement of 21 percentage points compared to the commonly used standard power MOSFET model. In addition, the models can be integrated in any available commercial circuit simulators by using their analytical equations. A description of the models will be provided along with the parameter extraction procedure.

Keywords: Power MOSFET, drift layer, quasi-saturation effect, SPICE model, circuit simulation.

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Authors: Yang Zhang, Yuncai Liu

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Accurately predicting non-peak traffic is crucial to daily traffic for all forecasting models. In the paper, least squares support vector machines (LS-SVMs) are investigated to solve such a practical problem. It is the first time to apply the approach and analyze the forecast performance in the domain. For comparison purpose, two parametric and two non-parametric techniques are selected because of their effectiveness proved in past research. Having good generalization ability and guaranteeing global minima, LS-SVMs perform better than the others. Providing sufficient improvement in stability and robustness reveals that the approach is practically promising.

Keywords: Parametric and Nonparametric Techniques, Non-peak Traffic Forecasting

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Authors: Ali Mamizadeh, Ires Iskender

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The most important parameter in transformers life expectancy is the hot-spot temperature level which accelerates the rate of aging of the insulation. The aim of this paper is to present thermal models for transformers loaded at prefabricated MV/LV transformer substations and outdoor situations. The hot-spot temperature of transformers is studied using their top-oil temperature rise models. The thermal models proposed for hot-spot and top-oil temperatures of different operating situations are compared. Since the thermal transfer is different for indoor and outdoor transformers considering their operating conditions, their hot-spot thermal models differ from each other. The proposed thermal models are verified by the results obtained from the experiments carried out on a typical 1600 kVA, 30 /0.4 kV, ONAN transformer for both indoor and outdoor situations.

Keywords: Hot-spot Temperature, Dynamic Thermal Model, MV/LV Prefabricated, Oil Immersed Transformers

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Authors: M. A. Basunia

Abstract:

Thirty three re-wetting tests were conducted at different combinations of temperatures (5.7- 46.30C) and relative humidites (48.2-88.6%) with barley. Two most commonly used thinlayer drying and rewetting models i.e. Page and Diffusion were compared for their ability to the fit the experimental re-wetting data based on the standard error of estimate (SEE) of the measured and simulated moisture contents. The comparison shows both the Page and Diffusion models fit the re-wetting experimental data of barley well. The average SEE values for the Page and Diffusion models were 0.176 % d.b. and 0.199 % d.b., respectively. The Page and Diffusion models were found to be most suitable equations, to describe the thin-layer re-wetting characteristics of barley over a typically five day re-wetting. These two models can be used for the simulation of deep-bed re-wetting of barley occurring during ventilated storage and deep bed drying.

Keywords: Thin-layer, barley, re-wetting parameters, temperature, relative humidity.

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Authors: Paula A. Cruise, Carvell McLeary

Abstract:

Employee turnover leads to lowered productivity, decreased morale and work quality, and psychological effects associated with employee separation and replacement. Yet, it remains unknown why talented employees willingly withdraw from organizations. This uncertainty is worsened as studies; a) priorities organizational over individual predictors resulting in restriction in range in turnover measurement; b) focus on actual rather than intended turnover thereby limiting conceptual understanding of the turnover construct and its relationship with other variables and; c) produce inconsistent findings across cultures, contexts and industries despite a clear need for a unified perspective. The current study addressed these gaps by adopting the theory of planned behavior (TPB) framework to examine socio-cognitive factors in organizational trust and individual turnover intentions among bankers and energy employees in Jamaica. In a comparative study of n=369 [n_bank= 264; male=57 (22.73%); n_energy =105; male =45 (42.86)], it was hypothesized that organizational trust was a predictor of employee turnover intention, and the effect of individual, group, cognitive and socio-affective variables varied across industry. Findings from structural equation modelling confirmed the hypothesis, with a model of both cognitive and socio-affective variables being a better fit [CMIN (χ²) = 800.067, df = 364, p ≤ .000; CFI = 0.950; RMSEA = 0.057 with 90% C.I. (0.052 - 0.062); PCLOSE = 0.016; PNFI = 0.818 in predicting turnover intention. The findings are discussed in relation to socio-cognitive components of trust models and predicting negative employee behaviors across cultures and industries.

Keywords: Context-specific organizational trust, cross-cultural psychology, theory of planned behavior, employee turnover intention.

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Authors: Mikel Alonso López

Abstract:

In order to begin the process of studying the task of making consumer decisions, the main decision models must be analyzed. The objective of this task is to see if there is a presence of emotions in those models, and analyze how authors that have created them consider their impact in consumer choices. In this paper, the most important models of consumer behavior are analysed. This review is useful to consider an unproblematic background knowledge in the literature. The order that has been established for this study is chronological.

Keywords: Consumer behaviour, emotions, decision making, consumer psychology.

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Authors: Abdolghani Ebrahimi, Diego Klabjan, Chenxi Ge, Daniela Ladner, Parker Stride

Abstract:

In this work, we use machine learning and data analysis techniques to predict the one-year mortality of cirrhotic patients. Data from 2,322 patients with liver cirrhosis are collected at a single medical center. Different machine learning models are applied to predict one-year mortality. A comprehensive feature space including demographic information, comorbidity, clinical procedure and laboratory tests is being analyzed. A temporal pattern mining technic called Frequent Subgraph Mining (FSM) is being used. Model for End-stage liver disease (MELD) prediction of mortality is used as a comparator. All of our models statistically significantly outperform the MELD-score model and show an average 10% improvement of the area under the curve (AUC). The FSM technic itself does not improve the model significantly, but FSM, together with a machine learning technique called an ensemble, further improves the model performance. With the abundance of data available in healthcare through electronic health records (EHR), existing predictive models can be refined to identify and treat patients at risk for higher mortality. However, due to the sparsity of the temporal information needed by FSM, the FSM model does not yield significant improvements. Our work applies modern machine learning algorithms and data analysis methods on predicting one-year mortality of cirrhotic patients and builds a model that predicts one-year mortality significantly more accurate than the MELD score. We have also tested the potential of FSM and provided a new perspective of the importance of clinical features.

Keywords: machine learning, liver cirrhosis, subgraph mining, supervised learning

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Authors: Kazeem K. Adewole, Julia M. Race, Steve J. Bull

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The fracture performance of steel wires for civil engineering applications remains a major concern in civil engineering construction and maintenance of wire reinforced structures. The need to employ approaches that simulate micromechanical material processes which characterizes fracture in civil structures has been emphasized recently in the literature. However, choosing from the numerous micromechanics-based fracture models, and identifying their applicability and reliability remains an issue that still needs to be addressed in a greater depth. Laboratory tensile testing and finite element tensile testing simulations with the shear, ductile and Gurson-Tvergaard-Needleman’s micromechanics-based models conducted in this work reveal that the shear fracture model is an appropriate fracture model to predict the fracture performance of steel wires used for civil engineering applications. The need to consider the capability of the micromechanics-based fracture model to predict the “cup and cone” fracture exhibited by the wire in choosing the appropriate fracture model is demonstrated.

Keywords: Fracture performance, FE simulation, Shear fracture model, Ductile fracture model, Gurson-Tvergaard-Needleman fracture model, Wires.

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Authors: V. Agrawal, A. Sharma

Abstract:

High Strength Concrete (HSC) is defined as concrete that meets special combination of performance and uniformity requirements that cannot be achieved routinely using conventional constituents and normal mixing, placing, and curing procedures. It is a highly complex material, which makes modeling its behavior a very difficult task. This paper aimed to show possible applicability of Neural Networks (NN) to predict the slump in High Strength Concrete (HSC). Neural Network models is constructed, trained and tested using the available test data of 349 different concrete mix designs of High Strength Concrete (HSC) gathered from a particular Ready Mix Concrete (RMC) batching plant. The most versatile Neural Network model is selected to predict the slump in concrete. The data used in the Neural Network models are arranged in a format of eight input parameters that cover the Cement, Fly Ash, Sand, Coarse Aggregate (10 mm), Coarse Aggregate (20 mm), Water, Super-Plasticizer and Water/Binder ratio. Furthermore, to test the accuracy for predicting slump in concrete, the final selected model is further used to test the data of 40 different concrete mix designs of High Strength Concrete (HSC) taken from the other batching plant. The results are compared on the basis of error function (or performance function).

Keywords: Artificial Neural Networks, Concrete, prediction ofslump, slump in concrete

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Authors: R.Abbaszadeh, A.Rajabipour, M.Delshad, M.J.Mahjub, H.Ahmadi

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It is difficult to judge ripeness by outward characteristics such as size or external color. In this paper a nondestructive method was studied to determine watermelon (Crimson Sweet) quality. Responses of samples to excitation vibrations were detected using laser Doppler vibrometry (LDV) technology. Phase shift between input and output vibrations were extracted overall frequency range. First and second were derived using frequency response spectrums. After nondestructive tests, watermelons were sensory evaluated. So the samples were graded in a range of ripeness based on overall acceptability (total desired traits consumers). Regression models were developed to predict quality using obtained results and sample mass. The determination coefficients of the calibration and cross validation models were 0.89 and 0.71 respectively. This study demonstrated feasibility of information which is derived vibration response curves for predicting fruit quality. The vibration response of watermelon using the LDV method is measured without direct contact; it is accurate and timely, which could result in significant advantage for classifying watermelons based on consumer opinions.

Keywords: Laser Doppler vibrometry, Phase shift, Overallacceptability, Regression model , Resonance frequency, Watermelon

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Authors: Jaroslav Masek, Juraj Camaj, Eva Nedeliakova

Abstract:

The paper is focused on the operational model for transport the single wagon consignments on railway network by using two different models of train formation. The paper gives an overview of possibilities of improving the quality of transport services. Paper deals with two models used in problematic of train formatting - time continuously and time discrete. By applying these models in practice, the transport company can guarantee a higher quality of service and expect increasing of transport performance. The models are also applicable into others transport networks. The models supplement a theoretical problem of train formation by new ways of looking to affecting the organization of wagon flows.

Keywords: Train formation, wagon flows, marshalling yard, railway technology.

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Authors: Neerja Bhatnagar, Benjoe A. Juliano, Renee S. Renner

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This paper presents data annotation models at five levels of granularity (database, relation, column, tuple, and cell) of relational data to address the problem of unsuitability of most relational databases to express annotations. These models do not require any structural and schematic changes to the underlying database. These models are also flexible, extensible, customizable, database-neutral, and platform-independent. This paper also presents an SQL-like query language, named Annotation Query Language (AnQL), to query annotation documents. AnQL is simple to understand and exploits the already-existent wide knowledge and skill set of SQL.

Keywords: annotation query language, data annotations, data annotation models, semantic data annotations

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Authors: Madhusudan Purohit, Stephen Philip, Bharathkumar Inturi

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In this paper we report the quantitative structure activity relationship of novel bis-triazole derivatives for predicting the activity profile. The full model encompassed a dataset of 46 Bis- triazoles. Tripos Sybyl X 2.0 program was used to conduct CoMSIA QSAR modeling. The Partial Least-Squares (PLS) analysis method was used to conduct statistical analysis and to derive a QSAR model based on the field values of CoMSIA descriptor. The compounds were divided into test and training set. The compounds were evaluated by various CoMSIA parameters to predict the best QSAR model. An optimum numbers of components were first determined separately by cross-validation regression for CoMSIA model, which were then applied in the final analysis. A series of parameters were used for the study and the best fit model was obtained using donor, partition coefficient and steric parameters. The CoMSIA models demonstrated good statistical results with regression coefficient (r²) and the cross-validated coefficient (q²) of 0.575 and 0.830 respectively. The standard error for the predicted model was 0.16322. In the CoMSIA model, the steric descriptors make a marginally larger contribution than the electrostatic descriptors. The finding that the steric descriptor is the largest contributor for the CoMSIA QSAR models is consistent with the observation that more than half of the binding site area is occupied by steric regions.

Keywords: 3D QSAR, CoMSIA, Triazoles.

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