Search results for: storm surge prediction

Authors: Muhammet Baldan, Emel Timuçin

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Molecular solubility prediction plays a crucial role in various fields, such as drug discovery, environmental science, and material science. In this study, we compare the performance of five machine learning algorithms—linear regression, support vector machines (SVM), random forests, gradient boosting machines (GBM), and neural networks—for predicting molecular solubility using the AqSolDB dataset. The dataset consists of 9981 data points with their corresponding solubility values. MACCS keys (166 bits), RDKit properties (20 properties), and structural properties(3) features are extracted for every smile representation in the dataset. A total of 189 features were used for training and testing for every molecule. Each algorithm is trained on a subset of the dataset and evaluated using metrics accuracy scores. Additionally, computational time for training and testing is recorded to assess the efficiency of each algorithm. Our results demonstrate that random forest model outperformed other algorithms in terms of predictive accuracy, achieving an 0.93 accuracy score. Gradient boosting machines and neural networks also exhibit strong performance, closely followed by support vector machines. Linear regression, while simpler in nature, demonstrates competitive performance but with slightly higher errors compared to ensemble methods. Overall, this study provides valuable insights into the performance of machine learning algorithms for molecular solubility prediction, highlighting the importance of algorithm selection in achieving accurate and efficient predictions in practical applications.

Keywords: random forest, machine learning, comparison, feature extraction

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Authors: Min Chen, Rubi Gupta

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Understanding and predicting stock market movements is a challenging problem. It is believed stock markets are partially driven by public sentiments, which leads to numerous research efforts to predict stock market trend using public sentiments expressed on social media such as Twitter but with limited success. Recently a microblogging website StockTwits is becoming increasingly popular for users to share their discussions and sentiments about stocks and financial market. In this project, we analyze the text content of StockTwits tweets and extract financial sentiment using text featurization and machine learning algorithms. StockTwits tweets are first pre-processed using techniques including stopword removal, special character removal, and case normalization to remove noise. Features are extracted from these preprocessed tweets through text featurization process using bags of words, N-gram models, TF-IDF (term frequency-inverse document frequency), and latent semantic analysis. Machine learning models are then trained to classify the tweets' sentiment as positive (bullish) or negative (bearish). The correlation between the aggregated daily sentiment and daily stock price movement is then investigated using Pearson’s correlation coefficient. Finally, the sentiment information is applied together with time series stock data to predict stock price movement. The experiments on five companies (Apple, Amazon, General Electric, Microsoft, and Target) in a duration of nine months demonstrate the effectiveness of our study in improving the prediction accuracy.

Keywords: machine learning, sentiment analysis, stock price prediction, tweet processing

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Authors: Abdi Ammar, Ouazir Youcef, Laissaoui Abdelmalek

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In this work, an approach based on transmission lines theory is presented. It is exploited for the calculation of overvoltage created by direct impacts of lightning waves on a guard cable of an overhead high-voltage line. First, we show the theoretical developments leading to the propagation equation, its discretization by finite difference time domain method (FDTD), and the resulting linear algebraic equations, followed by the calculation of the linear parameters of the line. The second step consists of solving the transmission lines system of equations by the FDTD method. This enabled us to determine the spatio-temporal evolution of the induced overvoltage.

Keywords: lightning surge, transient overvoltage, eddy current, FDTD, electromagnetic compatibility, ground wire

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Authors: M. Heydari Vini

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There is a complicated relation between effective input parameters of cold rolling and output rolling force and exit thickness of strips.in many mathematical models, the effect of some rolling parameters have been ignored and the outputs have not a desirable accuracy. In the other hand, there is a special relation among input thickness of strips,the width of the strips,rolling speeds,mandrill tensions and the required exit thickness of strips with rolling force and the real exit thickness of the rolled strip. First of all, in this paper the effective parameters of cold rolling process modeled using an artificial neural network according to the optimum network achieved by using a written program in MATLAB,it has been shown that the prediction of rolling stand parameters with different properties and new dimensions attained from prior rolled strips by an artificial neural network is applicable.

Keywords: cold rolling, artificial neural networks, rolling force, real rolled thickness of strips

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Authors: Biruhi Tesfaye, Avinash M. Potdar

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The laboratory test process to determine the California bearing ratio (CBR) of black cotton soils is not only overpriced but also time-consuming as well. Hence advanced prediction of CBR plays a significant role as it is applicable In pavement design. The prediction of CBR of treated soil was executed by Artificial Neural Networks (ANNs) which is a Computational tool based on the properties of the biological neural system. To observe CBR values, combined eggshell and waste glass was added to soil as 4, 8, 12, and 16 % of the weights of the soil samples. Accordingly, the laboratory related tests were conducted to get the required best model. The maximum CBR value found at 5.8 at 8 % of eggshell waste glass powder addition. The model was developed using CBR as an output layer variable. CBR was considered as a function of the joint effect of liquid limit, plastic limit, and plastic index, optimum moisture content and maximum dry density. The best model that has been found was ANN with 5, 6 and 1 neurons in the input, hidden and output layer correspondingly. The performance of selected ANN has been 0.99996, 4.44E-05, 0.00353 and 0.0067 which are correlation coefficient (R), mean square error (MSE), mean absolute error (MAE) and root mean square error (RMSE) respectively. The research presented or summarized above throws light on future scope on stabilization with waste glass combined with different percentages of eggshell that leads to the economical design of CBR acceptable to pavement sub-base or base, as desired.

Keywords: CBR, artificial neural network, liquid limit, plastic limit, maximum dry density, OMC

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Authors: Nastaran Moosavi, Mohammad Mokhtari

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Seismic inversion is a technique which has been in use for years and its main goal is to estimate and to model physical characteristics of rocks and fluids. Generally, it is a combination of seismic and well-log data. Seismic inversion can be carried out through different methods; we have conducted and compared post-stack and pre- stack seismic inversion methods on real data in one of the fields in the Persian Gulf. Pre-stack seismic inversion can transform seismic data to rock physics such as P-impedance, S-impedance and density. While post- stack seismic inversion can just estimate P-impedance. Then these parameters can be used in reservoir identification. Based on the results of inverting seismic data, a gas reservoir was detected in one of Hydrocarbon oil fields in south of Iran (Persian Gulf). By comparing post stack and pre-stack seismic inversion it can be concluded that the pre-stack seismic inversion provides a more reliable and detailed information for identification and prediction of hydrocarbon reservoirs.

Keywords: density, p-impedance, s-impedance, post-stack seismic inversion, pre-stack seismic inversion

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Authors: Sang Heon Han, Daejun Chang, Won Yang

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NOx reduction characteristics of syngas fuel were numerically investigated for the 2MW pilot scale heavy oil furnace of KITECH (Korea Institute of Industrial Technology). The secondary fuel and syngas was fed into the furnace with two purposes- partial replacement of main fuel and reburning of NOx. Some portion of syngas was fed into the flame zone to partially replace the heavy oil, while the other portion was fed into the furnace downstream to reduce NOx generation. The numerical prediction was verified by comparing it with the experimental results. Syngas of KITECH’s experiment, assumed to be produced from biomass, had very low calorific value and contained 3% hydrocarbon. This study investigated the precise behavior of NOx generation and NOx reduction as well as thermo-fluidic characteristics inside the furnace, which was unavailable with experiment. In addition to 3% hydrocarbon syngas, 5%, and 7% hydrocarbon syngas were numerically tested as reburning fuels to analyze the effect of hydrocarbon proportion to NOx reduction. The prediction showed that the 3% hydrocarbon syngas is as much effective as 7% hydrocarbon syngas in reducing NOx.

Keywords: syngas, reburning, heavy oil, furnace

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Authors: Jacob Green, Cecilia Cabrera, Maximilian Jakobs, Andrea Dimitracopoulos, Mark van der Wilk, Ryan Greenhalgh

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Predicting drug properties is key in drug discovery to enable de-risking of assets before expensive clinical trials and to find highly active compounds faster. Interest from the machine learning community has led to the release of a variety of benchmark datasets and proposed methods. However, it remains unclear for practitioners which method or approach is most suitable, as different papers benchmark on different datasets and methods, leading to varying conclusions that are not easily compared. Our large-scale empirical study links together numerous earlier works on different datasets and methods, thus offering a comprehensive overview of the existing property classes, datasets, and their interactions with different methods. We emphasise the importance of uncertainty quantification and the time and, therefore, cost of applying these methods in the drug development decision-making cycle. To the best of the author's knowledge, it has been observed that the optimal approach varies depending on the dataset and that engineered features with classical machine learning methods often outperform deep learning. Specifically, QSAR datasets are typically best analysed with classical methods such as Gaussian Processes, while ADMET datasets are sometimes better described by Trees or deep learning methods such as Graph Neural Networks or language models. Our work highlights that practitioners do not yet have a straightforward, black-box procedure to rely on and sets a precedent for creating practitioner-relevant benchmarks. Deep learning approaches must be proven on these benchmarks to become the practical method of choice in drug property prediction.

Keywords: activity (QSAR), ADMET, classical methods, drug property prediction, empirical study, machine learning

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Authors: James Purnama, Riri Fitri Sari

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We investigate the machine learning algorithm selection problem in the term of a depth image based eye gaze estimation, with respect to its essential difficulty in reducing the number of required training samples and duration time of training. Statistics based prediction accuracy are increasingly used to assess and evaluate prediction or estimation in gaze estimation. This article evaluates Root Mean Squared Error (RMSE) and R-Squared statistical analysis to assess machine learning methods on depth camera data for gaze estimation. There are 4 machines learning methods have been evaluated: Random Forest Regression, Regression Tree, Support Vector Machine (SVM), and Linear Regression. The experiment results show that the Random Forest Regression has the lowest RMSE and the highest R-Squared, which means that it is the best among other methods.

Keywords: gaze estimation, gaze tracking, eye tracking, kinect, regression model, orange python

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Authors: M. Karimpour, N. Elkhoury, L. Hitihamillage, S. Moridpour, R. Hesami

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There is a necessity among rail transportation authorities for a superior understanding of the rail track degradation overtime and the factors influencing rail degradation. They need an accurate technique to identify the time when rail tracks fail or need maintenance. In turn, this will help to increase the level of safety and comfort of the passengers and the vehicles as well as improve the cost effectiveness of maintenance activities. An accurate model can play a key role in prediction of the long-term behaviour of railroad tracks. An accurate model can decrease the cost of maintenance. In this research, the rail track degradation is predicted using an autoregressive moving average with exogenous input (ARMAX). An ARMAX has been implemented on Melbourne tram data to estimate the values for the tram track degradation. Gauge values and rail usage in Million Gross Tone (MGT) are the main parameters used in the model. The developed model can accurately predict the future status of the tram tracks.

Keywords: ARMAX, dynamic systems, MGT, prediction, rail degradation

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Authors: Surita Maini, Sanjay Dhanka

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Machine learning (ML) involves developing algorithms and statistical models that enable computers to learn and make predictions or decisions based on data without being explicitly programmed. Because of its unlimited abilities ML is gaining popularity in medical sectors; Medical Imaging, Electronic Health Records, Genomic Data Analysis, Wearable Devices, Disease Outbreak Prediction, Disease Diagnosis, etc. In the last few decades, many researchers have tried to diagnose Breast Cancer (BC) using ML, because early detection of any disease can save millions of lives. Working in this direction, the authors have proposed a hybrid ML technique RBF SVM, to predict the BC in earlier the stage. The proposed method is implemented on the Breast Cancer UCI ML dataset with 569 instances and 32 attributes. The authors recorded performance metrics of the proposed model i.e., Accuracy 98.24%, Sensitivity 98.67%, Specificity 97.43%, F1 Score 98.67%, Precision 98.67%, and run time 0.044769 seconds. The proposed method is validated by K-Fold cross-validation.

Keywords: breast cancer, support vector classifier, machine learning, hyper parameter tunning

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Authors: Sanjeev Sinha, Samir Saurav

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The rapid growth of urban areas in India has led to transportation challenges like traffic congestion and an increase in accidents. Despite efforts by state governments and local administrations to improve urban transport, the surge in private vehicles has worsened the situation. Patna, located in Bihar State, is an example of the trend of increasing reliance on private motor vehicles, resulting in vehicular congestion and emissions. The existing transportation infrastructure is inadequate to meet future travel demands, and there has been a notable increase in the share of private vehicles in the city. Additionally, there has been a surge in economic activities in the region, which has increased the demand for improved travel convenience and connectivity. To address these challenges, a study was conducted to assess the most suitable transit mode for the proposed transit corridor outlined in the Comprehensive Mobility Plan (CMP) for Patna. The study covered four stages: developing screening criteria, evaluating parameters for various alternatives, qualitative and quantitative evaluations of alternatives, and implementation options for the most viable alternative. The study suggests that a mass transit system such as a metro rail is necessary to enhance Patna's urban public transport system. The New Metro Policy 2017 outlines specific prerequisites for submitting a Metro Rail Project Proposal to the Ministry of Housing and Urban Affairs (MoHUA), including the preparation of a CMP, the formation of an Urban Metropolitan Transport Authority (UMTA), the creation of an Alternative Analysis Report, the development of a Detailed Project Report, a Multi-Modal Integration Plan, and a Transit-Oriented Development (TOD) Plan. In 2018, the Comprehensive Mobility Plan for Patna was prepared, setting the stage for the subsequent steps in the metro rail project proposal. The results indicated that from the screening and analysis of qualitative parameters for different alternative modes in Patna, it is inferred that the Metro Rail and Monorail score 82.25 and 70.50, respectively, on a scale of 100. Based on the initial analysis and alternative evaluation in the form of quantitative analysis, the Metro Rail System significantly outperformed the Monorail system. The Metro Rail System has a positive Economic Net Present Value (ENPV) at a 14% internal rate of return, while the Monorail has a negative value. In conclusion, the study recommends choosing metro rail over monorail for the proposed transit corridor in Patna. However, the lack of broad-based technical expertise may result in implementation delays and increased costs for monorail.

Keywords: comprehensive mobility plan, alternative analysis, mobility corridors, mass transit system

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Authors: Xiaolei Hu, Enrico Ferrera, Riccardo Tomasi, Claudio Pastrone

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Load Forecasting plays a key role in making today's and future's Smart Energy Grids sustainable and reliable. Accurate power consumption prediction allows utilities to organize in advance their resources or to execute Demand Response strategies more effectively, which enables several features such as higher sustainability, better quality of service, and affordable electricity tariffs. It is easy yet effective to apply Load Forecasting at larger geographic scale, i.e. Smart Micro Grids, wherein the lower available grid flexibility makes accurate prediction more critical in Demand Response applications. This paper analyses the application of short-term load forecasting in a concrete scenario, proposed within the EU-funded GreenCom project, which collect load data from single loads and households belonging to a Smart Micro Grid. Three short-term load forecasting techniques, i.e. linear regression, artificial neural networks, and radial basis function network, are considered, compared, and evaluated through absolute forecast errors and training time. The influence of weather conditions in Load Forecasting is also evaluated. A new definition of Gain is introduced in this paper, which innovatively serves as an indicator of short-term prediction capabilities of time spam consistency. Two models, 24- and 1-hour-ahead forecasting, are built to comprehensively compare these three techniques.

Keywords: short-term load forecasting, smart micro grid, linear regression, artificial neural networks, radial basis function network, gain

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Authors: Meruyert Burumbayeva, Aiman Mussina, Gulshat Yerdenova, Bakyt Ilyassova, Aiymtory Abildaeva, Gulnoza Aldabekova

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In this paper, there were analyzed the intensity of teachers of secondary schools of Astana. The analysis is based on the account of the whole complex of factors of production, creating the preconditions for the emergence of adverse neuro-emotional states (surge). All the factors of the labor process in the qualitative or quantitative terms were grouped into types of loads: intellectual, sensory, emotional, monotone, regime. The results showed that teachers' work activity is more intense in terms of sensory, intellectual, emotional work schedule loads and characterized class working conditions for tensions as '1st degree of harmful stressful work' and by a combined indicator refers to the category of high labor intensity.

Keywords: intensity of teachers, neuro-emotional states, labor process, occupational stress

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Authors: A. Ejah Umraeni Salam, M. Tola, M. Selintung, F. Maricar

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Clean water is an essential and fundamental human need. Therefore, its supply must be assured by maintaining the quality, quantity and water pressure. However the fact is, on its distribution system, leakage happens and becomes a common world issue. One of the technical causes of the leakage is a leaking pipe. The purpose of the research is how to use the Radial Basis Function Neural (RBFNN) model to detect the location and the magnitude of the pipeline leakage rapidly and efficiently. In this study the RBFNN are trained and tested on data from EPANET hydraulic modeling system. Method of Radial Basis Function Neural Network is proved capable to detect location and magnitude of pipeline leakage with of the accuracy of the prediction results based on the value of RMSE (Root Meant Square Error), comparison prediction and actual measurement approaches 0.000049 for the whole pipeline system.

Keywords: radial basis function neural network, leakage pipeline, EPANET, RMSE

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Authors: Lavanya Annadi, Fahimeh Jafari

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Transportation brings immense benefits to society, but it also has its costs. Costs include such as the cost of infrastructure, personnel and equipment, but also the loss of life and property in traffic accidents on the road, delays in travel due to traffic congestion and various indirect costs in terms of air transport. More research has been done to identify the various factors that affect road accidents, such as road infrastructure, traffic, sociodemographic characteristics, land use, and the environment. The aim of this research is to predict the probabilistic crash prediction of vehicles using machine learning due to natural and structural reasons by excluding spontaneous reasons like overspeeding etc., in the United States. These factors range from weather factors, like weather conditions, precipitation, visibility, wind speed, wind direction, temperature, pressure, and humidity to human made structures like road structure factors like bump, roundabout, no exit, turning loop, give away, etc. Probabilities are dissected into ten different classes. All the predictions are based on multiclass classification techniques, which are supervised learning. This study considers all crashes that happened in all states collected by the US government. To calculate the probability, multinomial expected value was used and assigned a classification label as the crash probability. We applied three different classification models, including multiclass Logistic Regression, Random Forest and XGBoost. The numerical results show that XGBoost achieved a 75.2% accuracy rate which indicates the part that is being played by natural and structural reasons for the crash. The paper has provided in-deep insights through exploratory data analysis.

Keywords: road safety, crash prediction, exploratory analysis, machine learning

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Authors: Mohd Azman Abdul Latif, Erwan Basiron

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A flaw or drift from expected operational performance in one component (NAND, PMIC, controller, DRAM, etc.) may affect the reliability of the entire Solid State Drive (SSD) system. Therefore, it is important to ensure the required quality of each individual component through qualification testing specified using standards or user requirements. Qualification testing is time-consuming and comes at a substantial cost for product manufacturers. A highly technical team, from all the eminent stakeholders is embarking on reliability prediction from beginning of new product development, identify critical to reliability parameters, perform full-blown characterization to embed margin into product reliability and establish control to ensure the product reliability is sustainable in the mass production. The paper will discuss a comprehensive development framework, comprehending SSD end to end from design to assembly, in-line inspection, in-line testing and will be able to predict and to validate the product reliability at the early stage of new product development. During the design stage, the SSD will go through intense reliability margin investigation with focus on assembly process attributes, process equipment control, in-process metrology and also comprehending forward looking product roadmap. Once these pillars are completed, the next step is to perform process characterization and build up reliability prediction modeling. Next, for the design validation process, the reliability prediction specifically solder joint simulator will be established. The SSD will be stratified into Non-Operating and Operating tests with focus on solder joint reliability and connectivity/component latent failures by prevention through design intervention and containment through Temperature Cycle Test (TCT). Some of the SSDs will be subjected to the physical solder joint analysis called Dye and Pry (DP) and Cross Section analysis. The result will be feedbacked to the simulation team for any corrective actions required to further improve the design. Once the SSD is validated and is proven working, it will be subjected to implementation of the monitor phase whereby Design for Assembly (DFA) rules will be updated. At this stage, the design change, process and equipment parameters are in control. Predictable product reliability at early product development will enable on-time sample qualification delivery to customer and will optimize product development validation, effective development resource and will avoid forced late investment to bandage the end-of-life product failures. Understanding the critical to reliability parameters earlier will allow focus on increasing the product margin that will increase customer confidence to product reliability.

Keywords: e2e reliability prediction, SSD, TCT, solder joint reliability, NUDD, connectivity issues, qualifications, characterization and control

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Authors: Gaurav Sancheti

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This study presents an impacting approach of Artificial Neural Networks (ANNs) in determining the quantity of High Tensile Steel (HTS) strands required in post-tensioned (PT) slabs. Various PT slab configurations were generated by varying the span and depth of the slab. For each of these slab configurations, quantity of required HTS strands were recorded. ANNs with backpropagation algorithm and varying architectures were developed and their performance was evaluated in terms of Mean Square Error (MSE). The recorded data for the quantity of HTS strands was used as a feeder database for training the developed ANNs. The networks were validated using various validation techniques. The results show that the proposed ANNs have a great potential with good prediction and generalization capability.

Keywords: artificial neural networks, back propagation, conceptual design, high tensile steel strands, post tensioned slabs, validation techniques

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Authors: Arun Goel

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Prediction of maximum local scour is necessary for the safety and economical design of the bridges. A number of equations have been developed over the years to predict local scour depth using laboratory data and a few pier equations have also been proposed using field data. Most of these equations are empirical in nature as indicated by the past publications. In this paper, attempts have been made to compute local depth of scour around bridge pier in dimensional and non-dimensional form by using linear regression, simple regression and SVM (Poly and Rbf) techniques along with few conventional empirical equations. The outcome of this study suggests that the SVM (Poly and Rbf) based modeling can be employed as an alternate to linear regression, simple regression and the conventional empirical equations in predicting scour depth of bridge piers. The results of present study on the basis of non-dimensional form of bridge pier scour indicates the improvement in the performance of SVM (Poly and Rbf) in comparison to dimensional form of scour.

Keywords: modeling, pier scour, regression, prediction, SVM (Poly and Rbf kernels)

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Authors: Rami El-Hajj Mohamad, Mahmoud Skafi, Ali Massoud Haidar

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Several meteorological parameters were used for the prediction of monthly average daily global solar radiation on horizontal using recurrent neural networks (RNNs). Climatological data and measures, mainly air temperature, humidity, sunshine duration, and wind speed between 1995 and 2007 were used to design and validate a feed forward and recurrent neural network based prediction systems. In this paper we present our reference system based on a feed-forward multilayer perceptron (MLP) as well as the proposed approach based on an RNN model. The obtained results were promising and comparable to those obtained by other existing empirical and neural models. The experimental results showed the advantage of RNNs over simple MLPs when we deal with time series solar radiation predictions based on daily climatological data.

Keywords: recurrent neural networks, global solar radiation, multi-layer perceptron, gradient, root mean square error

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Authors: Seongjun Kim, Sanghoon Shim, Jinwooung Kim, Jaehwan Jung, Sung-Ah Kim

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As the development of information and communication technology, the convergence of machine learning of the ICT area and design is attempted. In this way, it is possible to grasp the correlation between various design elements, which was difficult to grasp, and to reflect this in the design result. In architecture, there is an attempt to predict the performance, which is difficult to grasp in the past, by finding the correlation among multiple factors mainly through machine learning. In architectural design area, some attempts to predict the performance affected by various factors have been tried. With machine learning, it is possible to quickly predict performance. The aim of this study is to propose a model that predicts performance according to the block arrangement of apartment housing through machine learning and the design alternative which satisfies the performance such as the daylight hours in the most similar form to the alternative proposed by the designer. Through this study, a designer can proceed with the design considering various design alternatives and accurate performances quickly from the early design stage.

Keywords: apartment housing, machine learning, multi-objective optimization, performance prediction

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Authors: Ju-Hyung Kim, Dae-Ho Mun, Hong-Gun Park

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When an impact is applied to a floating floor, noise and vibration response of high-frequency range is reduced effectively, while amplifies the response at low-frequency range. This means floating floor can make worse noise condition when heavy-weight impact is applied. The amplified response is the result of interaction between finishing layer (mortar plate) and concrete slab. Because an impact force is not directly delivered to concrete slab, the impact force waveform or spectrum can be changed. In this paper, the changed impact spectrum was derived from several floating floor vibration tests. Based on the measured data, numerical modeling can describe the floating floor response, especially at low-frequency range. As a result, heavy-weight impact noise can be predicted using modified impact spectrum.

Keywords: floating floor, heavy-weight impact, prediction, vibration

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Authors: J. Ticona Chambi, E. A. De Almeida, C. A. Andrade Raymundo Gaiotto, A. M. Do Espírito Santo, L. Infantes, S. L. Cuffini

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The solubility of active pharmaceutical ingredients (APIs) is challenging for the pharmaceutical industry. The new multicomponent crystalline forms as cocrystal and solvates present an opportunity to improve the solubility of APIs. Commonly, the procedure to obtain multicomponent crystalline forms of a drug starts by screening the drug molecule with the different coformers/solvents. However, it is necessary to develop methods to obtain multicomponent forms in an efficient way and with the least possible environmental impact. The Hansen Solubility Parameters (HSPs) is considered a tool to obtain theoretical knowledge of the solubility of the target compound in the chosen solvent. H-Bond Propensity (HBP), Molecular Complementarity (MC), Coordination Values (CV) are tools used for statistical prediction of cocrystals developed by the Cambridge Crystallographic Data Center (CCDC). The HSPs and the CCDC tools are based on inter- and intra-molecular interactions. The curcumin (Cur), target molecule, is commonly used as an anti‐inflammatory. The demethoxycurcumin (Demcur) and bisdemethoxycurcumin (Bisdcur) are natural analogues of Cur from turmeric. Those target molecules have differences in their solubilities. In this way, the work aimed to analyze and compare different tools for multicomponent forms prediction (solvates) of Cur, Demcur and Biscur. The HSP values were calculated for Cur, Demcur, and Biscur using the chemical group contribution methods and the statistical optimization from experimental data. The HSPmol software was used. From the HSPs of the target molecules and fifty solvents (listed in the HSP books), the relative energy difference (RED) was determined. The probability of the target molecules would be interacting with the solvent molecule was determined using the CCDC tools. A dataset of fifty molecules of different organic solvents was ranked for each prediction method and by a consensus ranking of different combinations: HSP, CV, HBP and MC values. Based on the prediction, 15 solvents were selected as Dimethyl Sulfoxide (DMSO), Tetrahydrofuran (THF), Acetonitrile (ACN), 1,4-Dioxane (DOX) and others. In a starting analysis, the slow evaporation technique from 50°C at room temperature and 4°C was used to obtain solvates. The single crystals were collected by using a Bruker D8 Venture diffractometer, detector Photon100. The data processing and crystal structure determination were performed using APEX3 and Olex2-1.5 software. According to the results, the HSPs (theoretical and optimized) and the Hansen solubility sphere for Cur, Demcur and Biscur were obtained. With respect to prediction analyses, a way to evaluate the predicting method was through the ranking and the consensus ranking position of solvates already reported in the literature. It was observed that the combination of HSP-CV obtained the best results when compared to the other methods. Furthermore, as a result of solvent selected, six new solvates, Cur-DOX, Cur-DMSO, Bicur-DOX, Bircur-THF, Demcur-DOX, Demcur-ACN and a new Biscur hydrate, were obtained. Crystal structures were determined for Cur-DOX, Biscur-DOX, Demcur-DOX and Bicur-Water. Moreover, the unit-cell parameter information for Cur-DMSO, Biscur-THF and Demcur-ACN were obtained. The preliminary results showed that the prediction method is showing a promising strategy to evaluate the possibility of forming multicomponent. It is currently working on obtaining multicomponent single crystals.

Keywords: curcumin, HSPs, prediction, solvates, solubility

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Authors: Ahmed T. Farid, Muhammed Rizwan

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Geotechnical study for evaluating soil or rock permeability is a highly important parameter. Permeability values for rock formations are more difficult for determination than soil formation as it is an effect of the rock quality and its fracture values. In this research, the prediction of in situ permeability of limestone rock formations was predicted. The limestone rock permeability was evaluated using Lugeon tests (in-situ packer permeability). Different sites which spread all over the Riyadh region of Saudi Arabia were chosen to conduct our study of predicting the in-situ permeability of limestone rock. Correlations were deducted between the values of in-situ permeability of the limestone rock with the value of the rock quality designation (RQD) calculated during the execution of the boreholes of the study areas. The study was performed for different ranges of RQD values measured during drilling of the sites boreholes. The developed correlations are recommended for the onsite determination of the in-situ permeability of limestone rock only. For the other sedimentary formations of rock, more studies are needed for predicting the actual correlations related to each type.

Keywords: In situ, packer, permeability, rock, quality

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Authors: Marta Ribo, Ian D. Goodwin, Thomas Mortlock, Phil O’Brien

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Coastal behavior is best investigated using a sediment budget approach, based on the identification of sediment sources and sinks. Grain size distribution over the New South Wales (NSW) continental shelf has been widely characterized since the 1970’s. Coarser sediment has generally accumulated on the outer shelf, and/or nearshore zones, with the latter related to the presence of nearshore reef and bedrocks. The central part of the NSW shelf is characterized by the presence of fine sediments distributed parallel to the coastline. This study presents new grain size distribution maps along the NSW continental shelf, built using all available NSW and Commonwealth Government holdings. All available seabed bathymetric data form prior projects, single and multibeam sonar, and aerial LiDAR surveys were integrated into a single bathymetric surface for the NSW continental shelf. Grain size information was extracted from the sediment sample data collected in more than 30 studies. The information extracted from the sediment collections varied between reports. Thus, given the inconsistency of the grain size data, a common grain size classification was her defined using the phi scale. The new sediment distribution maps produced, together with new detailed seabed bathymetric data enabled us to revise the delineation of sediment compartments to more accurately reflect the true nature of sediment movement on the inner shelf and nearshore. Accordingly, nine primary mega coastal compartments were delineated along the NSW coast and shelf. The sediment compartments are bounded by prominent nearshore headlands and reefs, and major river and estuarine inlets that act as sediment sources and/or sinks. The new sediment grain size distribution was used as an input in the morphological modelling to quantify the sediment transport patterns (and indicative rates of transport), used to investigate sand supply rates and processes from the lower shoreface to the NSW coast. The rate of sand supply to the NSW coast from deep water is a major uncertainty in projecting future coastal response to sea-level rise. Offshore transport of sand is generally expected as beaches respond to rising sea levels but an onshore supply from the lower shoreface has the potential to offset some of the impacts of sea-level rise, such as coastline recession. Sediment exchange between the lower shoreface and sub-aerial beach has been modelled across the south, central, mid-north and far-north coast of NSW. Our model approach is that high-energy storm events are the primary agents of sand transport in deep water, while non-storm conditions are responsible for re-distributing sand within the beach and surf zone.

Keywords: New South Wales coast, off-shore transport, sand supply, sediment distribution maps

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Authors: Hilya Mudrika Arini, Nur Aini Masruroh, Budi Hartono

Abstract:

There are more than 20 terrorist threats from 2002 to 2012 in Indonesia. Despite of this fact, preventive solution through studies in the field of national security in Indonesia has not been conducted comprehensively. This study aims to provide a preventive solution by developing prediction model of the terrorist threat in Indonesia by using Bayesian network. There are eight stages to build the model, started from literature review, build and verify Bayesian belief network to what-if scenario. In order to build the model, four experts from different perspectives are utilized. This study finds several significant findings. First, news and the readiness of terrorist group are the most influent factor. Second, according to several scenarios of the news portion, it can be concluded that the higher positive news proportion, the higher probability of terrorist threat will occur. Therefore, the preventive solution to reduce the terrorist threat in Indonesia based on the model is by keeping the positive news portion to a maximum of 38%.

Keywords: Bayesian network, decision analysis, national security system, text mining

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Authors: Jin Chuhao, Chen Xiang

Abstract:

In recent years, due to the rapid development of Chinese urbanization, a great deal of rural population surge into urban to make a living. This fact causes the vicious circulation of rural development including sharp decrease of agricultural labor force in rural area, the obvious increase of rural land price, the shrinking of traditional agriculture and the bigger gap between Chinese urban and rural areas. With the improvement of living condition and ideological level of the Chinese people, the use and renewal of the traditional villages are gaining more and more attention, thus agricultural cultural and creative industries appears. Basing on the investigation of practical projects, this paper discusses how the agricultural cultural and creative industries promote the sustainable development of Chinese rural areas.

Keywords: sustainable design, Chinese rural areas, renewal, agricultural cultural and creative industries

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Authors: Gabrielle Peck, Ryan Hayes

Abstract:

This research presents the design and creation of a drone gas analyser, aimed at addressing the need for independent data collection and analysis of gas emissions during large-scale fires, particularly wasteland fires. The analyser drone, comprising a lightweight gas analysis system attached to a remote-controlled drone, enables the real-time assessment of smoke toxicity and the monitoring of gases released into the atmosphere during such incidents. The key components of the analyser unit included two gas line inlets connected to glass wool filters, a pump with regulated flow controlled by a mass flow controller, and electrochemical cells for detecting nitrogen oxides, hydrogen cyanide, and oxygen levels. Additionally, a non-dispersive infrared (NDIR) analyser is employed to monitor carbon monoxide (CO), carbon dioxide (CO₂), and hydrocarbon concentrations. Thermocouples can be attached to the analyser to monitor temperature, as well as McCaffrey probes combined with pressure transducers to monitor air velocity and wind direction. These additions allow for monitoring of the large fire and can be used for predictions of fire spread. The innovative system not only provides crucial data for assessing smoke toxicity but also contributes to fire prediction and management. The remote-controlled drone's mobility allows for safe and efficient data collection in proximity to the fire source, reducing the need for human exposure to hazardous conditions. The data obtained from the gas analyser unit facilitates informed decision-making by emergency responders, aiding in the protection of both human health and the environment. This abstract highlights the successful development of a drone gas analyser, illustrating its potential for enhancing smoke toxicity analysis and fire prediction capabilities. The integration of this technology into fire management strategies offers a promising solution for addressing the challenges associated with wildfires and other large-scale fire incidents. The project's methodology and results contribute to the growing body of knowledge in the field of environmental monitoring and safety, emphasizing the practical utility of drones for critical applications.

Keywords: fire prediction, drone, smoke toxicity, analyser, fire management

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Authors: Vahid Nourani, Atefeh Ashrafi

Abstract:

Prediction of treated wastewater quality is a matter of growing importance in water treatment procedure. In this way artificial neural network (ANN), as a robust data-driven approach, has been widely used for forecasting the effluent quality of wastewater treatment. However, developing ANN model based on appropriate input variables is a major concern due to the numerous parameters which are collected from treatment process and the number of them are increasing in the light of electronic sensors development. Various studies have been conducted, using different clustering methods, in order to classify most related and effective input variables. This issue has been overlooked in the selecting dominant input variables among wastewater treatment parameters which could effectively lead to more accurate prediction of water quality. In the presented study two ANN models were developed with the aim of forecasting effluent quality of Tabriz city’s wastewater treatment plant. Biochemical oxygen demand (BOD) was utilized to determine water quality as a target parameter. Model A used Principal Component Analysis (PCA) for input selection as a linear variance-based clustering method. Model B used those variables identified by the mutual information (MI) measure. Therefore, the optimal ANN structure when the result of model B compared with model A showed up to 15% percent increment in Determination Coefficient (DC). Thus, this study highlights the advantage of PCA method in selecting dominant input variables for ANN modeling of wastewater plant efficiency performance.

Keywords: Artificial Neural Networks, biochemical oxygen demand, principal component analysis, mutual information, Tabriz wastewater treatment plant, wastewater treatment plant

Procedia PDF Downloads 113

Authors: Rachel Y. Zhang, Christopher K. Anderson

Abstract:

A critical aspect of revenue management is a firm’s ability to predict demand as a function of price. Historically hotels have used simple time series models (regression and/or pick-up based models) owing to the complexities of trying to build casual models of demands. Machine learning approaches are slowly attracting attention owing to their flexibility in modeling relationships. This study provides an overview of approaches to forecasting hospitality demand – focusing on the opportunities created by machine learning approaches, including K-Nearest-Neighbors, Support vector machine, Regression Tree, and Artificial Neural Network algorithms. The out-of-sample performances of above approaches to forecasting hotel demand are illustrated by using a proprietary sample of the market level (24 properties) transactional data for Las Vegas NV. Causal predictive models can be built and evaluated owing to the availability of market level (versus firm level) data. This research also compares and contrast model accuracy of firm-level models (i.e. predictive models for hotel A only using hotel A’s data) to models using market level data (prices, review scores, location, chain scale, etc… for all hotels within the market). The prospected models will be valuable for hotel revenue prediction given the basic characters of a hotel property or can be applied in performance evaluation for an existed hotel. The findings will unveil the features that play key roles in a hotel’s revenue performance, which would have considerable potential usefulness in both revenue prediction and evaluation.

Keywords: hotel revenue, k-nearest-neighbors, machine learning, neural network, prediction model, regression tree, support vector machine

Procedia PDF Downloads 115