Search results for: prediction analysis
28746 Prediction of Compressive Strength in Geopolymer Composites by Adaptive Neuro Fuzzy Inference System
Authors: Mehrzad Mohabbi Yadollahi, Ramazan Demirboğa, Majid Atashafrazeh
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Geopolymers are highly complex materials which involve many variables which makes modeling its properties very difficult. There is no systematic approach in mix design for Geopolymers. Since the amounts of silica modulus, Na2O content, w/b ratios and curing time have a great influence on the compressive strength an ANFIS (Adaptive neuro fuzzy inference system) method has been established for predicting compressive strength of ground pumice based Geopolymers and the possibilities of ANFIS for predicting the compressive strength has been studied. Consequently, ANFIS can be used for geopolymer compressive strength prediction with acceptable accuracy.Keywords: geopolymer, ANFIS, compressive strength, mix design
Procedia PDF Downloads 85328745 X-Ray Crystallographic, Hirshfeld Surface Analysis and Docking Study of Phthalyl Sulfacetamide
Authors: Sanjay M. Tailor, Urmila H. Patel
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Phthalyl Sulfacetamide belongs to well-known member of antimicrobial sulfonamide family. It is a potent antitumor drug. Structural characteristics of 4-amino-N-(2quinoxalinyl) benzene-sulfonamides (Phthalyl Sulfacetamide), C14H12N4O2S has been studied by method of X-ray crystallography. The compound crystallizes in monoclinic space group P21/n with unit cell parameters a= 7.9841 Ǻ, b= 12.8208 Ǻ, c= 16.6607 Ǻ, α= 90˚, β= 93.23˚, γ= 90˚and Z=4. The X-ray based three-dimensional structure analysis has been carried out by direct methods and refined to an R-value of 0.0419. The crystal structure is stabilized by intermolecular N-H…N, N-H…O and π-π interactions. The Hirshfeld surfaces and consequently the fingerprint analysis have been performed to study the nature of interactions and their quantitative contributions towards the crystal packing. An analysis of Hirshfeld surfaces and fingerprint plots facilitates a comparison of intermolecular interactions, which are the key elements in building different supramolecular architectures. Docking is used for virtual screening for the prediction of the strongest binders based on various scoring functions. Docking studies are carried out on Phthalyl Sulfacetamide for better activity, which is important for the development of a new class of inhibitors.Keywords: phthalyl sulfacetamide, crystal structure, hirshfeld surface analysis, docking
Procedia PDF Downloads 34728744 Prediction of Deformations of Concrete Structures
Authors: A. Brahma
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Drying is a phenomenon that accompanies the hardening of hydraulic materials. It can, if it is not prevented, lead to significant spontaneous dimensional variations, which the cracking is one of events. In this context, cracking promotes the transport of aggressive agents in the material, which can affect the durability of concrete structures. Drying shrinkage develops over a long period almost 30 years although most occurred during the first three years. Drying shrinkage stabilizes when the material is water balance with the external environment. The drying shrinkage of cementitious materials is due to the formation of capillary tensions in the pores of the material, which has the consequences of bringing the solid walls of each other. Knowledge of the shrinkage characteristics of concrete is a necessary starting point in the design of structures for crack control. Such knowledge will enable the designer to estimate the probable shrinkage movement in reinforced or prestressed concrete and the appropriate steps can be taken in design to accommodate this movement. This study is concerned the modelling of drying shrinkage of the hydraulic materials and the prediction of the rate of spontaneous deformations of hydraulic materials during hardening. The model developed takes in consideration the main factors affecting drying shrinkage. There was agreement between drying shrinkage predicted by the developed model and experimental results. In last we show that developed model describe the evolution of the drying shrinkage of high performances concretes correctly.Keywords: drying, hydraulic concretes, shrinkage, modeling, prediction
Procedia PDF Downloads 33728743 An Application for Risk of Crime Prediction Using Machine Learning
Authors: Luis Fonseca, Filipe Cabral Pinto, Susana Sargento
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The increase of the world population, especially in large urban centers, has resulted in new challenges particularly with the control and optimization of public safety. Thus, in the present work, a solution is proposed for the prediction of criminal occurrences in a city based on historical data of incidents and demographic information. The entire research and implementation will be presented start with the data collection from its original source, the treatment and transformations applied to them, choice and the evaluation and implementation of the Machine Learning model up to the application layer. Classification models will be implemented to predict criminal risk for a given time interval and location. Machine Learning algorithms such as Random Forest, Neural Networks, K-Nearest Neighbors and Logistic Regression will be used to predict occurrences, and their performance will be compared according to the data processing and transformation used. The results show that the use of Machine Learning techniques helps to anticipate criminal occurrences, which contributed to the reinforcement of public security. Finally, the models were implemented on a platform that will provide an API to enable other entities to make requests for predictions in real-time. An application will also be presented where it is possible to show criminal predictions visually.Keywords: crime prediction, machine learning, public safety, smart city
Procedia PDF Downloads 11228742 Optimal Rotor Design of an 150kW-Class IPMSM through the 3D Voltage-Inductance Map Analysis Method
Authors: Eung-Seok Park, Tae-Chul Jeong, Hyun-Jong Park, Hyun-Woo Jun, Dong-Woo Kang, Ju Lee
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This presents a methodology to determine detail design directions of an 150kW-class IPMSM (interior permanent magnet synchronous motor) and its detail design. The basic design of the stator and rotor was conducted. After dividing the designed models into the best cases and the worst cases based on rotor shape parameters, Sensitivity analysis and 3D Voltage-Inductance Map (3D EL-Map) parameters were analyzed. Then, the design direction for the final model was predicted. Based on the prediction, the final model was extracted with Trend analysis. Lastly, the final model was validated with experiments.Keywords: PMSM, optimal design, rotor design, voltage-inductance map
Procedia PDF Downloads 67428741 A Study for Area-level Mosquito Abundance Prediction by Using Supervised Machine Learning Point-level Predictor
Authors: Theoktisti Makridou, Konstantinos Tsaprailis, George Arvanitakis, Charalampos Kontoes
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In the literature, the data-driven approaches for mosquito abundance prediction relaying on supervised machine learning models that get trained with historical in-situ measurements. The counterpart of this approach is once the model gets trained on pointlevel (specific x,y coordinates) measurements, the predictions of the model refer again to point-level. These point-level predictions reduce the applicability of those solutions once a lot of early warning and mitigation actions applications need predictions for an area level, such as a municipality, village, etc... In this study, we apply a data-driven predictive model, which relies on public-open satellite Earth Observation and geospatial data and gets trained with historical point-level in-Situ measurements of mosquito abundance. Then we propose a methodology to extract information from a point-level predictive model to a broader area-level prediction. Our methodology relies on the randomly spatial sampling of the area of interest (similar to the Poisson hardcore process), obtaining the EO and geomorphological information for each sample, doing the point-wise prediction for each sample, and aggregating the predictions to represent the average mosquito abundance of the area. We quantify the performance of the transformation from the pointlevel to the area-level predictions, and we analyze it in order to understand which parameters have a positive or negative impact on it. The goal of this study is to propose a methodology that predicts the mosquito abundance of a given area by relying on point-level prediction and to provide qualitative insights regarding the expected performance of the area-level prediction. We applied our methodology to historical data (of Culex pipiens) of two areas of interest (Veneto region of Italy and Central Macedonia of Greece). In both cases, the results were consistent. The mean mosquito abundance of a given area can be estimated with similar accuracy to the point-level predictor, sometimes even better. The density of the samples that we use to represent one area has a positive effect on the performance in contrast to the actual number of sampling points which is not informative at all regarding the performance without the size of the area. Additionally, we saw that the distance between the sampling points and the real in-situ measurements that were used for training did not strongly affect the performance.Keywords: mosquito abundance, supervised machine learning, culex pipiens, spatial sampling, west nile virus, earth observation data
Procedia PDF Downloads 14828740 Optimal Design of RC Pier Accompanied with Multi Sliding Friction Damping Mechanism Using Combination of SNOPT and ANN Method
Authors: Angga S. Fajar, Y. Takahashi, J. Kiyono, S. Sawada
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The structural system concept of RC pier accompanied with multi sliding friction damping mechanism was developed based on numerical analysis approach. However in the implementation, to make design for such kind of this structural system consumes a lot of effort in case high of complexity. During making design, the special behaviors of this structural system should be considered including flexible small deformation, sufficient elastic deformation capacity, sufficient lateral force resistance, and sufficient energy dissipation. The confinement distribution of friction devices has significant influence to its. Optimization and prediction with multi function regression of this structural system expected capable of providing easier and simpler design method. The confinement distribution of friction devices is optimized with SNOPT in Opensees, while some design variables of the structure are predicted using multi function regression of ANN. Based on the optimization and prediction this structural system is able to be designed easily and simply.Keywords: RC Pier, multi sliding friction device, optimal design, flexible small deformation
Procedia PDF Downloads 36728739 Graph Clustering Unveiled: ClusterSyn - A Machine Learning Framework for Predicting Anti-Cancer Drug Synergy Scores
Authors: Babak Bahri, Fatemeh Yassaee Meybodi, Changiz Eslahchi
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In the pursuit of effective cancer therapies, the exploration of combinatorial drug regimens is crucial to leverage synergistic interactions between drugs, thereby improving treatment efficacy and overcoming drug resistance. However, identifying synergistic drug pairs poses challenges due to the vast combinatorial space and limitations of experimental approaches. This study introduces ClusterSyn, a machine learning (ML)-powered framework for classifying anti-cancer drug synergy scores. ClusterSyn employs a two-step approach involving drug clustering and synergy score prediction using a fully connected deep neural network. For each cell line in the training dataset, a drug graph is constructed, with nodes representing drugs and edge weights denoting synergy scores between drug pairs. Drugs are clustered using the Markov clustering (MCL) algorithm, and vectors representing the similarity of drug pairs to each cluster are input into the deep neural network for synergy score prediction (synergy or antagonism). Clustering results demonstrate effective grouping of drugs based on synergy scores, aligning similar synergy profiles. Subsequently, neural network predictions and synergy scores of the two drugs on others within their clusters are used to predict the synergy score of the considered drug pair. This approach facilitates comparative analysis with clustering and regression-based methods, revealing the superior performance of ClusterSyn over state-of-the-art methods like DeepSynergy and DeepDDS on diverse datasets such as Oniel and Almanac. The results highlight the remarkable potential of ClusterSyn as a versatile tool for predicting anti-cancer drug synergy scores.Keywords: drug synergy, clustering, prediction, machine learning., deep learning
Procedia PDF Downloads 7928738 The Combination of the Mel Frequency Cepstral Coefficients, Perceptual Linear Prediction, Jitter and Shimmer Coefficients for the Improvement of Automatic Recognition System for Dysarthric Speech
Authors: Brahim Fares Zaidi
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Our work aims to improve our Automatic Recognition System for Dysarthria Speech based on the Hidden Models of Markov and the Hidden Markov Model Toolkit to help people who are sick. With pronunciation problems, we applied two techniques of speech parameterization based on Mel Frequency Cepstral Coefficients and Perceptual Linear Prediction and concatenated them with JITTER and SHIMMER coefficients in order to increase the recognition rate of a dysarthria speech. For our tests, we used the NEMOURS database that represents speakers with dysarthria and normal speakers.Keywords: ARSDS, HTK, HMM, MFCC, PLP
Procedia PDF Downloads 10828737 Your First Step to Understanding Research Ethics: Psychoneurolinguistic Approach
Authors: Sadeq Al Yaari, Ayman Al Yaari, Adham Al Yaari, Montaha Al Yaari, Aayah Al Yaari, Sajedah Al Yaari
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Objective: This research aims at investigating the research ethics in the field of science. Method: It is an exploratory research wherein the researchers attempted to cover the phenomenon at hand from all specialists’ viewpoints. Results Discussion is based upon the findings resulted from the analysis the researcher undertook. Concerning the results’ prediction, the researcher needs first to seek highly qualified people in the field of research as well as in the field of statistics who share the philosophy of the research. Then s/he should make sure that s/he is adequately trained in the specific techniques, methods and statically programs that are used at the study. S/he should also believe in continually analysis for the data in the most current methods.Keywords: research ethics, legal, rights, psychoneurolinguistics
Procedia PDF Downloads 4328736 Predicting the Diagnosis of Alzheimer’s Disease: Development and Validation of Machine Learning Models
Authors: Jay L. Fu
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Patients with Alzheimer's disease progressively lose their memory and thinking skills and, eventually, the ability to carry out simple daily tasks. The disease is irreversible, but early detection and treatment can slow down the disease progression. In this research, publicly available MRI data and demographic data from 373 MRI imaging sessions were utilized to build models to predict dementia. Various machine learning models, including logistic regression, k-nearest neighbor, support vector machine, random forest, and neural network, were developed. Data were divided into training and testing sets, where training sets were used to build the predictive model, and testing sets were used to assess the accuracy of prediction. Key risk factors were identified, and various models were compared to come forward with the best prediction model. Among these models, the random forest model appeared to be the best model with an accuracy of 90.34%. MMSE, nWBV, and gender were the three most important contributing factors to the detection of Alzheimer’s. Among all the models used, the percent in which at least 4 of the 5 models shared the same diagnosis for a testing input was 90.42%. These machine learning models allow early detection of Alzheimer’s with good accuracy, which ultimately leads to early treatment of these patients.Keywords: Alzheimer's disease, clinical diagnosis, magnetic resonance imaging, machine learning prediction
Procedia PDF Downloads 14328735 Shedding Light on the Black Box: Explaining Deep Neural Network Prediction of Clinical Outcome
Authors: Yijun Shao, Yan Cheng, Rashmee U. Shah, Charlene R. Weir, Bruce E. Bray, Qing Zeng-Treitler
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Deep neural network (DNN) models are being explored in the clinical domain, following the recent success in other domains such as image recognition. For clinical adoption, outcome prediction models require explanation, but due to the multiple non-linear inner transformations, DNN models are viewed by many as a black box. In this study, we developed a deep neural network model for predicting 1-year mortality of patients who underwent major cardio vascular procedures (MCVPs), using temporal image representation of past medical history as input. The dataset was obtained from the electronic medical data warehouse administered by Veteran Affairs Information and Computing Infrastructure (VINCI). We identified 21,355 veterans who had their first MCVP in 2014. Features for prediction included demographics, diagnoses, procedures, medication orders, hospitalizations, and frailty measures extracted from clinical notes. Temporal variables were created based on the patient history data in the 2-year window prior to the index MCVP. A temporal image was created based on these variables for each individual patient. To generate the explanation for the DNN model, we defined a new concept called impact score, based on the presence/value of clinical conditions’ impact on the predicted outcome. Like (log) odds ratio reported by the logistic regression (LR) model, impact scores are continuous variables intended to shed light on the black box model. For comparison, a logistic regression model was fitted on the same dataset. In our cohort, about 6.8% of patients died within one year. The prediction of the DNN model achieved an area under the curve (AUC) of 78.5% while the LR model achieved an AUC of 74.6%. A strong but not perfect correlation was found between the aggregated impact scores and the log odds ratios (Spearman’s rho = 0.74), which helped validate our explanation.Keywords: deep neural network, temporal data, prediction, frailty, logistic regression model
Procedia PDF Downloads 15328734 Profitability Assessment of Granite Aggregate Production and the Development of a Profit Assessment Model
Authors: Melodi Mbuyi Mata, Blessing Olamide Taiwo, Afolabi Ayodele David
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The purpose of this research is to create empirical models for assessing the profitability of granite aggregate production in Akure, Ondo state aggregate quarries. In addition, an artificial neural network (ANN) model and multivariate predicting models for granite profitability were developed in the study. A formal survey questionnaire was used to collect data for the study. The data extracted from the case study mine for this study includes granite marketing operations, royalty, production costs, and mine production information. The following methods were used to achieve the goal of this study: descriptive statistics, MATLAB 2017, and SPSS16.0 software in analyzing and modeling the data collected from granite traders in the study areas. The ANN and Multi Variant Regression models' prediction accuracy was compared using a coefficient of determination (R²), Root mean square error (RMSE), and mean square error (MSE). Due to the high prediction error, the model evaluation indices revealed that the ANN model was suitable for predicting generated profit in a typical quarry. More quarries in Nigeria's southwest region and other geopolitical zones should be considered to improve ANN prediction accuracy.Keywords: national development, granite, profitability assessment, ANN models
Procedia PDF Downloads 10128733 Research and Application of the Three-Dimensional Visualization Geological Modeling of Mine
Authors: Bin Wang, Yong Xu, Honggang Qu, Rongmei Liu, Zhenji Gao
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Today's mining industry is advancing gradually toward digital and visual direction. The three dimensional visualization geological modeling of mine is the digital characterization of mineral deposit, and is one of the key technology of digital mine. The three-dimensional geological modeling is a technology that combines the geological spatial information management, geological interpretation, geological spatial analysis and prediction, geostatistical analysis, entity content analysis and graphic visualization in three-dimensional environment with computer technology, and is used in geological analysis. In this paper, the three-dimensional geological modeling of an iron mine through the use of Surpac is constructed, and the weight difference of the estimation methods between distance power inverse ratio method and ordinary kriging is studied, and the ore body volume and reserves are simulated and calculated by using these two methods. Compared with the actual mine reserves, its result is relatively accurate, so it provided scientific bases for mine resource assessment, reserve calculation, mining design and so on.Keywords: three-dimensional geological modeling, geological database, geostatistics, block model
Procedia PDF Downloads 7028732 An Approach for Pattern Recognition and Prediction of Information Diffusion Model on Twitter
Authors: Amartya Hatua, Trung Nguyen, Andrew Sung
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In this paper, we study the information diffusion process on Twitter as a multivariate time series problem. Our model concerns three measures (volume, network influence, and sentiment of tweets) based on 10 features, and we collected 27 million tweets to build our information diffusion time series dataset for analysis. Then, different time series clustering techniques with Dynamic Time Warping (DTW) distance were used to identify different patterns of information diffusion. Finally, we built the information diffusion prediction models for new hashtags which comprise two phrases: The first phrase is recognizing the pattern using k-NN with DTW distance; the second phrase is building the forecasting model using the traditional Autoregressive Integrated Moving Average (ARIMA) model and the non-linear recurrent neural network of Long Short-Term Memory (LSTM). Preliminary results of performance evaluation between different forecasting models show that LSTM with clustering information notably outperforms other models. Therefore, our approach can be applied in real-world applications to analyze and predict the information diffusion characteristics of selected topics or memes (hashtags) in Twitter.Keywords: ARIMA, DTW, information diffusion, LSTM, RNN, time series clustering, time series forecasting, Twitter
Procedia PDF Downloads 39128731 Prediction of Coronary Heart Disease Using Fuzzy Logic
Authors: Elda Maraj, Shkelqim Kuka
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Coronary heart disease causes many deaths in the world. Unfortunately, this problem will continue to increase in the future. In this paper, a fuzzy logic model to predict coronary heart disease is presented. This model has been developed with seven input variables and one output variable that was implemented for 30 patients in Albania. Here fuzzy logic toolbox of MATLAB is used. Fuzzy model inputs are considered as cholesterol, blood pressure, physical activity, age, BMI, smoking, and diabetes, whereas the output is the disease classification. The fuzzy sets and membership functions are chosen in an appropriate manner. Centroid method is used for defuzzification. The database is taken from University Hospital Center "Mother Teresa" in Tirana, Albania.Keywords: coronary heart disease, fuzzy logic toolbox, membership function, prediction model
Procedia PDF Downloads 16128730 Prediction of Scour Profile Caused by Submerged Three-Dimensional Wall Jets
Authors: Abdullah Al Faruque, Ram Balachandar
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Series of laboratory tests were carried out to study the extent of scour caused by a three-dimensional wall jets exiting from a square cross-section nozzle and into a non-cohesive sand beds. Previous observations have indicated that the effect of the tailwater depth was significant for densimetric Froude number greater than ten. However, the present results indicate that the cut off value could be lower depending on the value of grain size-to-nozzle width ratio. Numbers of equations are drawn out for a better scaling of numerous scour parameters. Also suggested the empirical prediction of scour to predict the scour centre line profile and plan view of scour profile at any particular time.Keywords: densimetric froude number, jets, nozzle, sand, scour, tailwater, time
Procedia PDF Downloads 43528729 Virtual Metrology for Copper Clad Laminate Manufacturing
Authors: Misuk Kim, Seokho Kang, Jehyuk Lee, Hyunchang Cho, Sungzoon Cho
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In semiconductor manufacturing, virtual metrology (VM) refers to methods to predict properties of a wafer based on machine parameters and sensor data of the production equipment, without performing the (costly) physical measurement of the wafer properties (Wikipedia). Additional benefits include avoidance of human bias and identification of important factors affecting the quality of the process which allow improving the process quality in the future. It is however rare to find VM applied to other areas of manufacturing. In this work, we propose to use VM to copper clad laminate (CCL) manufacturing. CCL is a core element of a printed circuit board (PCB) which is used in smartphones, tablets, digital cameras, and laptop computers. The manufacturing of CCL consists of three processes: Treating, lay-up, and pressing. Treating, the most important process among the three, puts resin on glass cloth, heat up in a drying oven, then produces prepreg for lay-up process. In this process, three important quality factors are inspected: Treated weight (T/W), Minimum Viscosity (M/V), and Gel Time (G/T). They are manually inspected, incurring heavy cost in terms of time and money, which makes it a good candidate for VM application. We developed prediction models of the three quality factors T/W, M/V, and G/T, respectively, with process variables, raw material, and environment variables. The actual process data was obtained from a CCL manufacturer. A variety of variable selection methods and learning algorithms were employed to find the best prediction model. We obtained prediction models of M/V and G/T with a high enough accuracy. They also provided us with information on “important” predictor variables, some of which the process engineers had been already aware and the rest of which they had not. They were quite excited to find new insights that the model revealed and set out to do further analysis on them to gain process control implications. T/W did not turn out to be possible to predict with a reasonable accuracy with given factors. The very fact indicates that the factors currently monitored may not affect T/W, thus an effort has to be made to find other factors which are not currently monitored in order to understand the process better and improve the quality of it. In conclusion, VM application to CCL’s treating process was quite successful. The newly built quality prediction model allowed one to reduce the cost associated with actual metrology as well as reveal some insights on the factors affecting the important quality factors and on the level of our less than perfect understanding of the treating process.Keywords: copper clad laminate, predictive modeling, quality control, virtual metrology
Procedia PDF Downloads 35028728 Cirrhosis Mortality Prediction as Classification using Frequent Subgraph Mining
Authors: Abdolghani Ebrahimi, Diego Klabjan, Chenxi Ge, Daniela Ladner, Parker Stride
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In this work, we use machine learning and novel 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. To the best of our knowledge, this is the first work to apply 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
Procedia PDF Downloads 13428727 Predicting and Obtaining New Solvates of Curcumin, Demethoxycurcumin and Bisdemethoxycurcumin Based on the Ccdc Statistical Tools and Hansen Solubility Parameters
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
Procedia PDF Downloads 6328726 Research of the Three-Dimensional Visualization Geological Modeling of Mine Based on Surpac
Authors: Honggang Qu, Yong Xu, Rongmei Liu, Zhenji Gao, Bin Wang
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Today's mining industry is advancing gradually toward digital and visual direction. The three-dimensional visualization geological modeling of mine is the digital characterization of mineral deposits and is one of the key technology of digital mining. Three-dimensional geological modeling is a technology that combines geological spatial information management, geological interpretation, geological spatial analysis and prediction, geostatistical analysis, entity content analysis and graphic visualization in a three-dimensional environment with computer technology and is used in geological analysis. In this paper, the three-dimensional geological modeling of an iron mine through the use of Surpac is constructed, and the weight difference of the estimation methods between the distance power inverse ratio method and ordinary kriging is studied, and the ore body volume and reserves are simulated and calculated by using these two methods. Compared with the actual mine reserves, its result is relatively accurate, so it provides scientific bases for mine resource assessment, reserve calculation, mining design and so on.Keywords: three-dimensional geological modeling, geological database, geostatistics, block model
Procedia PDF Downloads 7828725 Red-Tide Detection and Prediction Using MODIS Data in the Arabian Gulf of Qatar
Authors: Yasir E. Mohieldeen
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Qatar is one of the most water scarce countries in the World. In 2014, the average per capita rainfall was less than 29 m3/y/ca, while the global average is 6,000 m3/y/ca. However, the per capita water consumption in Qatar is among the highest in the World: more than 500 liters per person per day, whereas the global average is 160 liters per person per day. Since the early 2000s, Qatar has been relying heavily on desalinated water from the Arabian Gulf as the main source of fresh water. In 2009, about 99.9% of the total potable water produced was desalinated. Reliance on desalinated water makes Qatar very vulnerable to water related natural disasters, such as the red-tide phenomenon. Qatar’s strategic water reserve lasts for only 7 days. In case of red-tide outbreak, the country would not be able to desalinate water for days, let alone the months that this disaster would bring about (as it clogs the desalination equipment). The 2008-09 red-tide outbreak, for instance, lasted for more than eight months and forced the closure of desalination plants in the region for weeks. This study aims at identifying favorite conditions for red-tide outbreaks, using satellite data along with in-situ measurements. This identification would allow the prediction of these outbreaks and their hotspots. Prediction and monitoring of outbreaks are crucial to water security in the country, as different measures could be put in place in advance to prevent an outbreak and mitigate its impact if it happened. Red-tide outbreaks are detected using different algorithms for chlorophyll concentration in the Gulf waters. Vegetation indices, such as Normalized Difference Vegetation Index (NDVI) and Enhanced Vegetation Index (EVI) were used along with Surface Algae Bloom Index (SABI) to detect known outbreaks. MODIS (or Moderate Resolution Imaging Spectroradiometer) bands are used to calculate these indices. A red-tide outbreaks atlas in the Arabian Gulf is being produced. Prediction of red-tide outbreaks ahead of their occurrences would give critical information on possible water-shortage in the country. Detecting known outbreaks in the past few decades and related parameters (e.g. water salinity, water surface temperature, nutrition, sandstorms, … etc) enables the identification of favorite conditions of red-tide outbreak that are key to the prediction of these outbreaks.Keywords: Arabian Gulf, MODIS, red-tide detection, strategic water reserve, water desalination
Procedia PDF Downloads 10728724 Application of Artificial Neural Network in Assessing Fill Slope Stability
Authors: An-Jui. Li, Kelvin Lim, Chien-Kuo Chiu, Benson Hsiung
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This paper details the utilization of artificial intelligence (AI) in the field of slope stability whereby quick and convenient solutions can be obtained using the developed tool. The AI tool used in this study is the artificial neural network (ANN), while the slope stability analysis methods are the finite element limit analysis methods. The developed tool allows for the prompt prediction of the safety factors of fill slopes and their corresponding probability of failure (depending on the degree of variation of the soil parameters), which can give the practicing engineer a reasonable basis in their decision making. In fact, the successful use of the Extreme Learning Machine (ELM) algorithm shows that slope stability analysis is no longer confined to the conventional methods of modeling, which at times may be tedious and repetitive during the preliminary design stage where the focus is more on cost saving options rather than detailed design. Therefore, similar ANN-based tools can be further developed to assist engineers in this aspect.Keywords: landslide, limit analysis, artificial neural network, soil properties
Procedia PDF Downloads 20728723 Studies on the Applicability of Artificial Neural Network (ANN) in Prediction of Thermodynamic Behavior of Sodium Chloride Aqueous System Containing a Non-Electrolytes
Authors: Dariush Jafari, S. Mostafa Nowee
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In this study a ternary system containing sodium chloride as solute, water as primary solvent and ethanol as the antisolvent was considered to investigate the application of artificial neural network (ANN) in prediction of sodium solubility in the mixture of water as the solvent and ethanol as the antisolvent. The system was previously studied using by Extended UNIQUAC model by the authors of this study. The comparison between the results of the two models shows an excellent agreement between them (R2=0.99), and also approves the capability of ANN to predict the thermodynamic behavior of ternary electrolyte systems which are difficult to model.Keywords: thermodynamic modeling, ANN, solubility, ternary electrolyte system
Procedia PDF Downloads 38528722 Machine Learning Techniques in Seismic Risk Assessment of Structures
Authors: Farid Khosravikia, Patricia Clayton
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The main objective of this work is to evaluate the advantages and disadvantages of various machine learning techniques in two key steps of seismic hazard and risk assessment of different types of structures. The first step is the development of ground-motion models, which are used for forecasting ground-motion intensity measures (IM) given source characteristics, source-to-site distance, and local site condition for future events. IMs such as peak ground acceleration and velocity (PGA and PGV, respectively) as well as 5% damped elastic pseudospectral accelerations at different periods (PSA), are indicators of the strength of shaking at the ground surface. Typically, linear regression-based models, with pre-defined equations and coefficients, are used in ground motion prediction. However, due to the restrictions of the linear regression methods, such models may not capture more complex nonlinear behaviors that exist in the data. Thus, this study comparatively investigates potential benefits from employing other machine learning techniques as statistical method in ground motion prediction such as Artificial Neural Network, Random Forest, and Support Vector Machine. The results indicate the algorithms satisfy some physically sound characteristics such as magnitude scaling distance dependency without requiring pre-defined equations or coefficients. Moreover, it is shown that, when sufficient data is available, all the alternative algorithms tend to provide more accurate estimates compared to the conventional linear regression-based method, and particularly, Random Forest outperforms the other algorithms. However, the conventional method is a better tool when limited data is available. Second, it is investigated how machine learning techniques could be beneficial for developing probabilistic seismic demand models (PSDMs), which provide the relationship between the structural demand responses (e.g., component deformations, accelerations, internal forces, etc.) and the ground motion IMs. In the risk framework, such models are used to develop fragility curves estimating exceeding probability of damage for pre-defined limit states, and therefore, control the reliability of the predictions in the risk assessment. In this study, machine learning algorithms like artificial neural network, random forest, and support vector machine are adopted and trained on the demand parameters to derive PSDMs for them. It is observed that such models can provide more accurate estimates of prediction in relatively shorter about of time compared to conventional methods. Moreover, they can be used for sensitivity analysis of fragility curves with respect to many modeling parameters without necessarily requiring more intense numerical response-history analysis.Keywords: artificial neural network, machine learning, random forest, seismic risk analysis, seismic hazard analysis, support vector machine
Procedia PDF Downloads 10628721 Electrical Machine Winding Temperature Estimation Using Stateful Long Short-Term Memory Networks (LSTM) and Truncated Backpropagation Through Time (TBPTT)
Authors: Yujiang Wu
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As electrical machine (e-machine) power density re-querulents become more stringent in vehicle electrification, mounting a temperature sensor for e-machine stator windings becomes increasingly difficult. This can lead to higher manufacturing costs, complicated harnesses, and reduced reliability. In this paper, we propose a deep-learning method for predicting electric machine winding temperature, which can either replace the sensor entirely or serve as a backup to the existing sensor. We compare the performance of our method, the stateful long short-term memory networks (LSTM) with truncated backpropagation through time (TBTT), with that of linear regression, as well as stateless LSTM with/without residual connection. Our results demonstrate the strength of combining stateful LSTM and TBTT in tackling nonlinear time series prediction problems with long sequence lengths. Additionally, in industrial applications, high-temperature region prediction accuracy is more important because winding temperature sensing is typically used for derating machine power when the temperature is high. To evaluate the performance of our algorithm, we developed a temperature-stratified MSE. We propose a simple but effective data preprocessing trick to improve the high-temperature region prediction accuracy. Our experimental results demonstrate the effectiveness of our proposed method in accurately predicting winding temperature, particularly in high-temperature regions, while also reducing manufacturing costs and improving reliability.Keywords: deep learning, electrical machine, functional safety, long short-term memory networks (LSTM), thermal management, time series prediction
Procedia PDF Downloads 9928720 Electroencephalogram Based Approach for Mental Stress Detection during Gameplay with Level Prediction
Authors: Priyadarsini Samal, Rajesh Singla
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Many mobile games come with the benefits of entertainment by introducing stress to the human brain. In recognizing this mental stress, the brain-computer interface (BCI) plays an important role. It has various neuroimaging approaches which help in analyzing the brain signals. Electroencephalogram (EEG) is the most commonly used method among them as it is non-invasive, portable, and economical. Here, this paper investigates the pattern in brain signals when introduced with mental stress. Two healthy volunteers played a game whose aim was to search hidden words from the grid, and the levels were chosen randomly. The EEG signals during gameplay were recorded to investigate the impacts of stress with the changing levels from easy to medium to hard. A total of 16 features of EEG were analyzed for this experiment which includes power band features with relative powers, event-related desynchronization, along statistical features. Support vector machine was used as the classifier, which resulted in an accuracy of 93.9% for three-level stress analysis; for two levels, the accuracy of 92% and 98% are achieved. In addition to that, another game that was similar in nature was played by the volunteers. A suitable regression model was designed for prediction where the feature sets of the first and second game were used for testing and training purposes, respectively, and an accuracy of 73% was found.Keywords: brain computer interface, electroencephalogram, regression model, stress, word search
Procedia PDF Downloads 18728719 Towards End-To-End Disease Prediction from Raw Metagenomic Data
Authors: Maxence Queyrel, Edi Prifti, Alexandre Templier, Jean-Daniel Zucker
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Analysis of the human microbiome using metagenomic sequencing data has demonstrated high ability in discriminating various human diseases. Raw metagenomic sequencing data require multiple complex and computationally heavy bioinformatics steps prior to data analysis. Such data contain millions of short sequences read from the fragmented DNA sequences and stored as fastq files. Conventional processing pipelines consist in multiple steps including quality control, filtering, alignment of sequences against genomic catalogs (genes, species, taxonomic levels, functional pathways, etc.). These pipelines are complex to use, time consuming and rely on a large number of parameters that often provide variability and impact the estimation of the microbiome elements. Training Deep Neural Networks directly from raw sequencing data is a promising approach to bypass some of the challenges associated with mainstream bioinformatics pipelines. Most of these methods use the concept of word and sentence embeddings that create a meaningful and numerical representation of DNA sequences, while extracting features and reducing the dimensionality of the data. In this paper we present an end-to-end approach that classifies patients into disease groups directly from raw metagenomic reads: metagenome2vec. This approach is composed of four steps (i) generating a vocabulary of k-mers and learning their numerical embeddings; (ii) learning DNA sequence (read) embeddings; (iii) identifying the genome from which the sequence is most likely to come and (iv) training a multiple instance learning classifier which predicts the phenotype based on the vector representation of the raw data. An attention mechanism is applied in the network so that the model can be interpreted, assigning a weight to the influence of the prediction for each genome. Using two public real-life data-sets as well a simulated one, we demonstrated that this original approach reaches high performance, comparable with the state-of-the-art methods applied directly on processed data though mainstream bioinformatics workflows. These results are encouraging for this proof of concept work. We believe that with further dedication, the DNN models have the potential to surpass mainstream bioinformatics workflows in disease classification tasks.Keywords: deep learning, disease prediction, end-to-end machine learning, metagenomics, multiple instance learning, precision medicine
Procedia PDF Downloads 12528718 A Semantic Analysis of Modal Verbs in Barak Obama’s 2012 Presidential Campaign Speech
Authors: Kais A. Kadhim
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This paper is a semantic analysis of the English modals in Obama’s speech. The main objective of this study is to analyze selected modal auxiliaries identified in selected speeches of Obama’s campaign based on Coates’ (1983) semantic clusters. A total of fifteen speeches of Obama’s campaign were selected as the primary data and the modal auxiliaries selected for analysis include will, would, can, could, should, must, ought, shall, may and might. All the modal auxiliaries taken from the speeches of Barack Obama were analyzed based on the framework of Coates’ semantic clusters. Such analytical framework was carried out to examine how modal auxiliaries are used in the context of persuading people in Obama’s campaign speeches. The findings reveal that modals of intention, prediction, futurity and modals of possibility, ability, permission are mostly used in Obama’s campaign speeches.Keywords: modals, meaning, persuasion, speech
Procedia PDF Downloads 40528717 A Regression Model for Residual-State Creep Failure
Authors: Deepak Raj Bhat, Ryuichi Yatabe
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In this study, a residual-state creep failure model was developed based on the residual-state creep test results of clayey soils. To develop the proposed model, the regression analyses were done by using the R. The model results of the failure time (tf) and critical displacement (δc) were compared with experimental results and found in close agreements to each others. It is expected that the proposed regression model for residual-state creep failure will be more useful for the prediction of displacement of different clayey soils in the future.Keywords: regression model, residual-state creep failure, displacement prediction, clayey soils
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