This document describes a study that used support vector machines (SVM) to develop a quantitative structure-activity relationship (QSAR) model to predict the anti-HIV activity of TIBO derivatives. The SVM model achieved high correlation (q2=0.96) and low error (RMSE=0.212), outperforming artificial neural networks and multiple linear regression models developed on the same data set. The results indicate that SVM is a valuable tool for QSAR modeling and predicting anti-HIV activity of chemical compounds.
We propose an algorithm for training Multi Layer Preceptrons for classification problems, that we named Hidden Layer Learning Vector Quantization (H-LVQ). It consists of applying Learning Vector Quantization to the last hidden layer of a MLP and it gave very successful results on problems containing a large number of correlated inputs. It was applied with excellent results on classification of Rurtherford
backscattering spectra and on a benchmark problem of image recognition. It may also be used for efficient feature extraction.
Transfer learning with multiple pre-trained network for fundus classificationTELKOMNIKA JOURNAL
Transfer learning (TL) is a technique of reuse and modify a pre-trained network.
It reuses feature extraction layer at a pre-trained network. A target domain in TL
obtains the features knowledge from the source domain. TL modified
classification layer at a pre-trained network. The target domain can do new tasks
according to a purpose. In this article, the target domain is fundus image
classification includes normal and neovascularization. Data consist of
100 patches. The comparison of training and validation data was 70:30.
The selection of training and validation data is done randomly. Steps of TL i.e
load pre-trained networks, replace final layers, train the network, and assess
network accuracy. First, the pre-trained network is a layer configuration of
the convolutional neural network architecture. Pre-trained network used are
AlexNet, VGG16, VGG19, ResNet50, ResNet101, GoogLeNet, Inception-V3,
InceptionResNetV2, and squeezenet. Second, replace the final layer is to replace
the last three layers. They are fully connected layer, softmax, and output layer.
The layer is replaced with a fully connected layer that classifies according to
number of classes. Furthermore, it's followed by a softmax and output layer that
matches with the target domain. Third, we trained the network. Networks were
trained to produce optimal accuracy. In this section, we use gradient descent
algorithm optimization. Fourth, assess network accuracy. The experiment results
show a testing accuracy between 80% and 100%.
A Comparative Analysis of Feature Selection Methods for Clustering DNA SequencesCSCJournals
Large-scale analysis of genome sequences is in progress around the world, the major application of which is to establish the evolutionary relationship among the species using phylogenetic trees. Hierarchical agglomerative algorithms can be used to generate such phylogenetic trees given the distance matrix representing the dissimilarity among the species. ClustalW and Muscle are two general purpose programs that generates distance matrix from the input DNA or protein sequences. The limitation of these programs is that they are based on Smith-Waterman algorithm which uses dynamic programming for doing the pair-wise alignment. This is an extremely time consuming process and the existing systems may even fail to work for larger input data set. To overcome this limitation, we have used the frequency of codons usage as an approximation to find dissimilarity among species. The proposed technique further reduces the complexity by extracting only the significant features of the species from the mtDNA sequences using the techniques like frequent codons, codons with maximum range value or PCA technique. We have observed that the proposed system produces nearly accurate results in a significantly reduced running time.
International Journal of Computational Engineering Research (IJCER) is dedicated to protecting personal information and will make every reasonable effort to handle collected information appropriately. All information collected, as well as related requests, will be handled as carefully and efficiently as possible in accordance with IJCER standards for integrity and objectivity
Investigations on Hybrid Learning in ANFISIJERA Editor
Neural networks have attractiveness to several researchers due to their great closeness to the structure of the brain, their characteristics not shared by many traditional systems. An Artificial Neural Network (ANN) is a network of interconnected artificial processing elements (called neurons) that co-operate with one another in order to solve specific issues. ANNs are inspired by the structure and functional aspects of biological nervous systems. Neural networks, which recognize patterns and adopt themselves to cope with changing environments. Fuzzy inference system incorporates human knowledge and performs inferencing and decision making. The integration of these two complementary approaches together with certain derivative free optimization techniques, results in a novel discipline called Neuro Fuzzy. In Neuro fuzzy development a specific approach is called Adaptive Neuro Fuzzy Inference System (ANFIS), which has shown significant results in modeling nonlinear functions. The basic idea behind the paper is to design a system that uses a fuzzy system to represent knowledge in an interpretable manner and have the learning ability derived from a Runge-Kutta learning method (RKLM) to adjust its membership functions and parameters in order to enhance the system performance. The problem of finding appropriate membership functions and fuzzy rules is often a tiring process of trial and error. It requires users to understand the data before training, which is usually difficult to achieve when the database is relatively large. To overcome these problems, a hybrid of Back Propagation Neural network (BPN) and RKLM can combine the advantages of two systems and avoid their disadvantages.
The effect of gamma value on support vector machine performance with differen...IJECEIAES
Currently, the support vector machine (SVM) regarded as one of supervised machine learning algorithm that provides analysis of data for classification and regression. This technique is implemented in many fields such as bioinformatics, face recognition, text and hypertext categorization, generalized predictive control and many other different areas. The performance of SVM is affected by some parameters, which are used in the training phase, and the settings of parameters can have a profound impact on the resulting engine’s implementation. This paper investigated the SVM performance based on value of gamma parameter with used kernels. It studied the impact of gamma value on (SVM) efficiency classifier using different kernels on various datasets descriptions. SVM classifier has been implemented by using Python. The kernel functions that have been investigated are polynomials, radial based function (RBF) and sigmoid. UC irvine machine learning repository is the source of all the used datasets. Generally, the results show uneven effect on the classification accuracy of three kernels on used datasets. The changing of the gamma value taking on consideration the used dataset influences polynomial and sigmoid kernels. While the performance of RBF kernel function is more stable with different values of gamma as its accuracy is slightly changed.
We propose an algorithm for training Multi Layer Preceptrons for classification problems, that we named Hidden Layer Learning Vector Quantization (H-LVQ). It consists of applying Learning Vector Quantization to the last hidden layer of a MLP and it gave very successful results on problems containing a large number of correlated inputs. It was applied with excellent results on classification of Rurtherford
backscattering spectra and on a benchmark problem of image recognition. It may also be used for efficient feature extraction.
Transfer learning with multiple pre-trained network for fundus classificationTELKOMNIKA JOURNAL
Transfer learning (TL) is a technique of reuse and modify a pre-trained network.
It reuses feature extraction layer at a pre-trained network. A target domain in TL
obtains the features knowledge from the source domain. TL modified
classification layer at a pre-trained network. The target domain can do new tasks
according to a purpose. In this article, the target domain is fundus image
classification includes normal and neovascularization. Data consist of
100 patches. The comparison of training and validation data was 70:30.
The selection of training and validation data is done randomly. Steps of TL i.e
load pre-trained networks, replace final layers, train the network, and assess
network accuracy. First, the pre-trained network is a layer configuration of
the convolutional neural network architecture. Pre-trained network used are
AlexNet, VGG16, VGG19, ResNet50, ResNet101, GoogLeNet, Inception-V3,
InceptionResNetV2, and squeezenet. Second, replace the final layer is to replace
the last three layers. They are fully connected layer, softmax, and output layer.
The layer is replaced with a fully connected layer that classifies according to
number of classes. Furthermore, it's followed by a softmax and output layer that
matches with the target domain. Third, we trained the network. Networks were
trained to produce optimal accuracy. In this section, we use gradient descent
algorithm optimization. Fourth, assess network accuracy. The experiment results
show a testing accuracy between 80% and 100%.
A Comparative Analysis of Feature Selection Methods for Clustering DNA SequencesCSCJournals
Large-scale analysis of genome sequences is in progress around the world, the major application of which is to establish the evolutionary relationship among the species using phylogenetic trees. Hierarchical agglomerative algorithms can be used to generate such phylogenetic trees given the distance matrix representing the dissimilarity among the species. ClustalW and Muscle are two general purpose programs that generates distance matrix from the input DNA or protein sequences. The limitation of these programs is that they are based on Smith-Waterman algorithm which uses dynamic programming for doing the pair-wise alignment. This is an extremely time consuming process and the existing systems may even fail to work for larger input data set. To overcome this limitation, we have used the frequency of codons usage as an approximation to find dissimilarity among species. The proposed technique further reduces the complexity by extracting only the significant features of the species from the mtDNA sequences using the techniques like frequent codons, codons with maximum range value or PCA technique. We have observed that the proposed system produces nearly accurate results in a significantly reduced running time.
International Journal of Computational Engineering Research (IJCER) is dedicated to protecting personal information and will make every reasonable effort to handle collected information appropriately. All information collected, as well as related requests, will be handled as carefully and efficiently as possible in accordance with IJCER standards for integrity and objectivity
Investigations on Hybrid Learning in ANFISIJERA Editor
Neural networks have attractiveness to several researchers due to their great closeness to the structure of the brain, their characteristics not shared by many traditional systems. An Artificial Neural Network (ANN) is a network of interconnected artificial processing elements (called neurons) that co-operate with one another in order to solve specific issues. ANNs are inspired by the structure and functional aspects of biological nervous systems. Neural networks, which recognize patterns and adopt themselves to cope with changing environments. Fuzzy inference system incorporates human knowledge and performs inferencing and decision making. The integration of these two complementary approaches together with certain derivative free optimization techniques, results in a novel discipline called Neuro Fuzzy. In Neuro fuzzy development a specific approach is called Adaptive Neuro Fuzzy Inference System (ANFIS), which has shown significant results in modeling nonlinear functions. The basic idea behind the paper is to design a system that uses a fuzzy system to represent knowledge in an interpretable manner and have the learning ability derived from a Runge-Kutta learning method (RKLM) to adjust its membership functions and parameters in order to enhance the system performance. The problem of finding appropriate membership functions and fuzzy rules is often a tiring process of trial and error. It requires users to understand the data before training, which is usually difficult to achieve when the database is relatively large. To overcome these problems, a hybrid of Back Propagation Neural network (BPN) and RKLM can combine the advantages of two systems and avoid their disadvantages.
The effect of gamma value on support vector machine performance with differen...IJECEIAES
Currently, the support vector machine (SVM) regarded as one of supervised machine learning algorithm that provides analysis of data for classification and regression. This technique is implemented in many fields such as bioinformatics, face recognition, text and hypertext categorization, generalized predictive control and many other different areas. The performance of SVM is affected by some parameters, which are used in the training phase, and the settings of parameters can have a profound impact on the resulting engine’s implementation. This paper investigated the SVM performance based on value of gamma parameter with used kernels. It studied the impact of gamma value on (SVM) efficiency classifier using different kernels on various datasets descriptions. SVM classifier has been implemented by using Python. The kernel functions that have been investigated are polynomials, radial based function (RBF) and sigmoid. UC irvine machine learning repository is the source of all the used datasets. Generally, the results show uneven effect on the classification accuracy of three kernels on used datasets. The changing of the gamma value taking on consideration the used dataset influences polynomial and sigmoid kernels. While the performance of RBF kernel function is more stable with different values of gamma as its accuracy is slightly changed.
Artificial Neural Networks (ANNS) For Prediction of California Bearing Ratio ...IJMER
The behaviour of soil at the location of the project and interactions of the earth materials during and after construction has a major influence on the success, economy and safety of the work. Another complexity associated with some geotechnical engineering materials, such as sand and gravel, is the difficulty in obtaining undisturbed samples and time consuming involving skilled
technician. Knowledge of California Bearing Ratio (C.B.R) is essential in finding the road thickness. To cope up with the difficulties involved, an attempt has been made to model C.B.R in terms of Fine Fraction, Liquid Limit, Plasticity Index, Maximum Dry density, and Optimum Moisture content. A multi-layer perceptron network with feed forward back propagation is used to model varying the
number of hidden layers. For this purposes 50 soils test data was collected from the laboratory test
results. Among the test data 30 soils data is used for training and remaining 20 soils for testing using
60-40 distribution. The architectures developed are 5-4-1, 5-5-1, and 5-6-1. Model with 5-6-1 architecture is found to be quite satisfactory in predicting C.B.R of soils. A graph is plotted between
the predicted values and observed values of outputs for training and testing process, from the graph it
is found that all the points are close to equality line, indicating predicted values are close to observed
values
Employing Neocognitron Neural Network Base Ensemble Classifiers To Enhance Ef...cscpconf
This paper presents an ensemble of neo-cognitron neural network base classifiers to enhance
the accuracy of the system, along the experimental results. The method offers lesser
computational preprocessing in comparison to other ensemble techniques as it ex-preempts
feature extraction process before feeding the data into base classifiers. This is achieved by the
basic nature of neo-cognitron, it is a multilayer feed-forward neural network. Ensemble of such
base classifiers gives class labels for each pattern that in turn is combined to give the final class
label for that pattern. The purpose of this paper is not only to exemplify learning behaviour of
neo-cognitron as base classifiers, but also to purport better fashion to combine neural network
based ensemble classifiers.
International Journal of Engineering Research and Applications (IJERA) is an open access online peer reviewed international journal that publishes research and review articles in the fields of Computer Science, Neural Networks, Electrical Engineering, Software Engineering, Information Technology, Mechanical Engineering, Chemical Engineering, Plastic Engineering, Food Technology, Textile Engineering, Nano Technology & science, Power Electronics, Electronics & Communication Engineering, Computational mathematics, Image processing, Civil Engineering, Structural Engineering, Environmental Engineering, VLSI Testing & Low Power VLSI Design etc.
IJRET : International Journal of Research in Engineering and Technology is an international peer reviewed, online journal published by eSAT Publishing House for the enhancement of research in various disciplines of Engineering and Technology. The aim and scope of the journal is to provide an academic medium and an important reference for the advancement and dissemination of research results that support high-level learning, teaching and research in the fields of Engineering and Technology. We bring together Scientists, Academician, Field Engineers, Scholars and Students of related fields of Engineering and Technology
Hyper-parameter optimization of convolutional neural network based on particl...journalBEEI
Deep neural networks have accomplished enormous progress in tackling many problems. More specifically, convolutional neural network (CNN) is a category of deep networks that have been a dominant technique in computer vision tasks. Despite that these deep neural networks are highly effective; the ideal structure is still an issue that needs a lot of investigation. Deep Convolutional Neural Network model is usually designed manually by trials and repeated tests which enormously constrain its application. Many hyper-parameters of the CNN can affect the model performance. These parameters are depth of the network, numbers of convolutional layers, and numbers of kernels with their sizes. Therefore, it may be a huge challenge to design an appropriate CNN model that uses optimized hyper-parameters and reduces the reliance on manual involvement and domain expertise. In this paper, a design architecture method for CNNs is proposed by utilization of particle swarm optimization (PSO) algorithm to learn the optimal CNN hyper-parameters values. In the experiment, we used Modified National Institute of Standards and Technology (MNIST) database of handwritten digit recognition. The experiments showed that our proposed approach can find an architecture that is competitive to the state-of-the-art models with a testing error of 0.87%.
Reflectivity Parameter Extraction from RADAR Images Using Back Propagation Al...IJECEIAES
Pattern recognition has been acknowledged as one of the promising research areas and it has drawn the awareness among many researchers since its existence at the beginning of the nineties. Multilayer Neural networks are used in pattern Recognition and classification based on the features derived from the input patterns. The Reflectivity information extracted from the Doppler Weather Radar (DWR) image helps in identifying the convective cloud type which has a strong relation to the precipitation rate. The reflectivity information is rooted in the DWR image with the help of colors and color bar is provided to distinguish among different reflectivity information. Artificial Neural network predicts the color based on the maximum likelihood estimation problem. This paper presents a best possible backpropagation algorithm for color identification in DWR images by comparing various backpropagation algorithms such as LevenbergMarquardt, Conjugate gradient, and Resilient back propagation etc.,. Pattern recognition using Neural networks presents better results compared to standard distance measures. It is observed that Levenberg-Marquardt backpropagation algorithm yields a regression value of 99% approximately and accuracy of 98%.
There are very few examples of the use of various architectures for recurrent neural
networks to predict student learning outcomes. In fact, the only architecture used to
solve this problem is the LSTM architecture. In the works devoted to the use of LSTM
to predict educational outcomes, the results of a detailed theoretical substantiation of
the preference of this particular architecture of the RNN are not presented. In this
regard, it seems advisable to provide such justification in the framework of this study.
The main property of input data for prediction of educational outcomes is its
temporary nature. Some sequence of user actions unfolds in time and is evaluated
(classified) by an external observer as evidence of the presence or absence of an
educational result (objective or metaobjective). In this regard, the RNN used to classify
user actions should perform a procedure for adjusting the weights of neurons for a
certain set of states in the past. At the same time, the length of the sequence of these
states is not predetermined: it can be both short (for example, for objective results),
and quite long.
In recent machine learning community, there is a trend of constructing a linear logarithm version of
nonlinear version through the ‘kernel method’ for example kernel principal component analysis, kernel
fisher discriminant analysis, support Vector Machines (SVMs), and the current kernel clustering
algorithms. Typically, in unsupervised methods of clustering algorithms utilizing kernel method, a
nonlinear mapping is operated initially in order to map the data into a much higher space feature, and then
clustering is executed. A hitch of these kernel clustering algorithms is that the clustering prototype resides
in increased features specs of dimensions and therefore lack intuitive and clear descriptions without
utilizing added approximation of projection from the specs to the data as executed in the literature
presented. This paper aims to utilize the ‘kernel method’, a novel clustering algorithm, founded on the
conventional fuzzy clustering algorithm (FCM) is anticipated and known as kernel fuzzy c-means algorithm
(KFCM). This method embraces a novel kernel-induced metric in the space of data in order to interchange
the novel Euclidean matric norm in cluster prototype and fuzzy clustering algorithm still reside in the space
of data so that the results of clustering could be interpreted and reformulated in the spaces which are
original. This property is used for clustering incomplete data. Execution on supposed data illustrate that
KFCM has improved performance of clustering and stout as compare to other transformations of FCM for
clustering incomplete data.
Comparison Between Levenberg-Marquardt And Scaled Conjugate Gradient Training...CSCJournals
The Internet paved way for information sharing all over the world decades ago and its popularity for distribution of data has spread like a wildfire ever since. Data in the form of images, sounds, animations and videos is gaining users’ preference in comparison to plain text all across the globe. Despite unprecedented progress in the fields of data storage, computing speed and data transmission speed, the demands of available data and its size (due to the increase in both, quality and quantity) continue to overpower the supply of resources. One of the reasons for this may be how the uncompressed data is compressed in order to send it across the network. This paper compares the two most widely used training algorithms for multilayer perceptron (MLP) image compression – the Levenberg-Marquardt algorithm and the Scaled Conjugate Gradient algorithm. We test the performance of the two training algorithms by compressing the standard test image (Lena or Lenna) in terms of accuracy and speed. Based on our results, we conclude that both algorithms were comparable in terms of speed and accuracy. However, the Levenberg- Marquardt algorithm has shown slightly better performance in terms of accuracy (as found in the average training accuracy and mean squared error), whereas the Scaled Conjugate Gradient algorithm faired better in terms of speed (as found in the average training iteration) on a simple MLP structure (2 hidden layers).
Multilayer extreme learning machine for hand movement prediction based on ele...journalBEEI
Brain computer interface (BCI) technology connects humans with machines via electroencephalography (EEG). The mechanism of BCI is pattern recognition, which proceeds by feature extraction and classification. Various feature extraction and classification methods can differentiate human motor movements, especially those of the hand. Combinations of these methods can greatly improve the accuracy of the results. This article explores the performances of nine feature-extraction types computed by a multilayer extreme learning machine (ML-ELM). The proposed method was tested on different numbers of EEG channels and different ML-ELM structures. Moreover, the performance of ML-ELM was compared with those of ELM, Support Vector Machine and Naive Bayes in classifying real and imaginary hand movements in offline mode. The ML-ELM with discrete wavelet transform (DWT) as feature extraction outperformed the other classification methods with highest accuracy 0.98. So, the authors also found that the structures influenced the accuracy of ML-ELM for different task, feature extraction used and channel used.
A general frame for building optimal multiple SVM kernelsinfopapers
Dana Simian, Florin Stoica, A General Frame for Building Optimal Multiple SVM Kernels, Large-Scale Scientific Computing, Lecture Notes in Computer Science, 2012, Volume 7116/2012, 256-263, DOI: 10.1007/978-3-642-29843-1_29
Electroencephalography (EEG) based brain Computer interface (BCI) needs efficient algorithms to extract discriminative features from raw EEG signals. The issue of selecting optimizing spatial spectral features is key to high performance motor imagery(MI) classification, which is one of the main topics in EEG-based brain computer interfaces. Some novel methods are used first which formulates the selection of features as maximizing mutual information between class labels and features. It then uses an efficient algorithms for pattern feature extraction frame work,to select an effective feature set. The results shows the classification accuracy obtained and is compared with the other existing algorithms
International Journal of Engineering Research and Applications (IJERA) is an open access online peer reviewed international journal that publishes research and review articles in the fields of Computer Science, Neural Networks, Electrical Engineering, Software Engineering, Information Technology, Mechanical Engineering, Chemical Engineering, Plastic Engineering, Food Technology, Textile Engineering, Nano Technology & science, Power Electronics, Electronics & Communication Engineering, Computational mathematics, Image processing, Civil Engineering, Structural Engineering, Environmental Engineering, VLSI Testing & Low Power VLSI Design etc.
Artificial Neural Networks (ANNS) For Prediction of California Bearing Ratio ...IJMER
The behaviour of soil at the location of the project and interactions of the earth materials during and after construction has a major influence on the success, economy and safety of the work. Another complexity associated with some geotechnical engineering materials, such as sand and gravel, is the difficulty in obtaining undisturbed samples and time consuming involving skilled
technician. Knowledge of California Bearing Ratio (C.B.R) is essential in finding the road thickness. To cope up with the difficulties involved, an attempt has been made to model C.B.R in terms of Fine Fraction, Liquid Limit, Plasticity Index, Maximum Dry density, and Optimum Moisture content. A multi-layer perceptron network with feed forward back propagation is used to model varying the
number of hidden layers. For this purposes 50 soils test data was collected from the laboratory test
results. Among the test data 30 soils data is used for training and remaining 20 soils for testing using
60-40 distribution. The architectures developed are 5-4-1, 5-5-1, and 5-6-1. Model with 5-6-1 architecture is found to be quite satisfactory in predicting C.B.R of soils. A graph is plotted between
the predicted values and observed values of outputs for training and testing process, from the graph it
is found that all the points are close to equality line, indicating predicted values are close to observed
values
Employing Neocognitron Neural Network Base Ensemble Classifiers To Enhance Ef...cscpconf
This paper presents an ensemble of neo-cognitron neural network base classifiers to enhance
the accuracy of the system, along the experimental results. The method offers lesser
computational preprocessing in comparison to other ensemble techniques as it ex-preempts
feature extraction process before feeding the data into base classifiers. This is achieved by the
basic nature of neo-cognitron, it is a multilayer feed-forward neural network. Ensemble of such
base classifiers gives class labels for each pattern that in turn is combined to give the final class
label for that pattern. The purpose of this paper is not only to exemplify learning behaviour of
neo-cognitron as base classifiers, but also to purport better fashion to combine neural network
based ensemble classifiers.
International Journal of Engineering Research and Applications (IJERA) is an open access online peer reviewed international journal that publishes research and review articles in the fields of Computer Science, Neural Networks, Electrical Engineering, Software Engineering, Information Technology, Mechanical Engineering, Chemical Engineering, Plastic Engineering, Food Technology, Textile Engineering, Nano Technology & science, Power Electronics, Electronics & Communication Engineering, Computational mathematics, Image processing, Civil Engineering, Structural Engineering, Environmental Engineering, VLSI Testing & Low Power VLSI Design etc.
IJRET : International Journal of Research in Engineering and Technology is an international peer reviewed, online journal published by eSAT Publishing House for the enhancement of research in various disciplines of Engineering and Technology. The aim and scope of the journal is to provide an academic medium and an important reference for the advancement and dissemination of research results that support high-level learning, teaching and research in the fields of Engineering and Technology. We bring together Scientists, Academician, Field Engineers, Scholars and Students of related fields of Engineering and Technology
Hyper-parameter optimization of convolutional neural network based on particl...journalBEEI
Deep neural networks have accomplished enormous progress in tackling many problems. More specifically, convolutional neural network (CNN) is a category of deep networks that have been a dominant technique in computer vision tasks. Despite that these deep neural networks are highly effective; the ideal structure is still an issue that needs a lot of investigation. Deep Convolutional Neural Network model is usually designed manually by trials and repeated tests which enormously constrain its application. Many hyper-parameters of the CNN can affect the model performance. These parameters are depth of the network, numbers of convolutional layers, and numbers of kernels with their sizes. Therefore, it may be a huge challenge to design an appropriate CNN model that uses optimized hyper-parameters and reduces the reliance on manual involvement and domain expertise. In this paper, a design architecture method for CNNs is proposed by utilization of particle swarm optimization (PSO) algorithm to learn the optimal CNN hyper-parameters values. In the experiment, we used Modified National Institute of Standards and Technology (MNIST) database of handwritten digit recognition. The experiments showed that our proposed approach can find an architecture that is competitive to the state-of-the-art models with a testing error of 0.87%.
Reflectivity Parameter Extraction from RADAR Images Using Back Propagation Al...IJECEIAES
Pattern recognition has been acknowledged as one of the promising research areas and it has drawn the awareness among many researchers since its existence at the beginning of the nineties. Multilayer Neural networks are used in pattern Recognition and classification based on the features derived from the input patterns. The Reflectivity information extracted from the Doppler Weather Radar (DWR) image helps in identifying the convective cloud type which has a strong relation to the precipitation rate. The reflectivity information is rooted in the DWR image with the help of colors and color bar is provided to distinguish among different reflectivity information. Artificial Neural network predicts the color based on the maximum likelihood estimation problem. This paper presents a best possible backpropagation algorithm for color identification in DWR images by comparing various backpropagation algorithms such as LevenbergMarquardt, Conjugate gradient, and Resilient back propagation etc.,. Pattern recognition using Neural networks presents better results compared to standard distance measures. It is observed that Levenberg-Marquardt backpropagation algorithm yields a regression value of 99% approximately and accuracy of 98%.
There are very few examples of the use of various architectures for recurrent neural
networks to predict student learning outcomes. In fact, the only architecture used to
solve this problem is the LSTM architecture. In the works devoted to the use of LSTM
to predict educational outcomes, the results of a detailed theoretical substantiation of
the preference of this particular architecture of the RNN are not presented. In this
regard, it seems advisable to provide such justification in the framework of this study.
The main property of input data for prediction of educational outcomes is its
temporary nature. Some sequence of user actions unfolds in time and is evaluated
(classified) by an external observer as evidence of the presence or absence of an
educational result (objective or metaobjective). In this regard, the RNN used to classify
user actions should perform a procedure for adjusting the weights of neurons for a
certain set of states in the past. At the same time, the length of the sequence of these
states is not predetermined: it can be both short (for example, for objective results),
and quite long.
In recent machine learning community, there is a trend of constructing a linear logarithm version of
nonlinear version through the ‘kernel method’ for example kernel principal component analysis, kernel
fisher discriminant analysis, support Vector Machines (SVMs), and the current kernel clustering
algorithms. Typically, in unsupervised methods of clustering algorithms utilizing kernel method, a
nonlinear mapping is operated initially in order to map the data into a much higher space feature, and then
clustering is executed. A hitch of these kernel clustering algorithms is that the clustering prototype resides
in increased features specs of dimensions and therefore lack intuitive and clear descriptions without
utilizing added approximation of projection from the specs to the data as executed in the literature
presented. This paper aims to utilize the ‘kernel method’, a novel clustering algorithm, founded on the
conventional fuzzy clustering algorithm (FCM) is anticipated and known as kernel fuzzy c-means algorithm
(KFCM). This method embraces a novel kernel-induced metric in the space of data in order to interchange
the novel Euclidean matric norm in cluster prototype and fuzzy clustering algorithm still reside in the space
of data so that the results of clustering could be interpreted and reformulated in the spaces which are
original. This property is used for clustering incomplete data. Execution on supposed data illustrate that
KFCM has improved performance of clustering and stout as compare to other transformations of FCM for
clustering incomplete data.
Comparison Between Levenberg-Marquardt And Scaled Conjugate Gradient Training...CSCJournals
The Internet paved way for information sharing all over the world decades ago and its popularity for distribution of data has spread like a wildfire ever since. Data in the form of images, sounds, animations and videos is gaining users’ preference in comparison to plain text all across the globe. Despite unprecedented progress in the fields of data storage, computing speed and data transmission speed, the demands of available data and its size (due to the increase in both, quality and quantity) continue to overpower the supply of resources. One of the reasons for this may be how the uncompressed data is compressed in order to send it across the network. This paper compares the two most widely used training algorithms for multilayer perceptron (MLP) image compression – the Levenberg-Marquardt algorithm and the Scaled Conjugate Gradient algorithm. We test the performance of the two training algorithms by compressing the standard test image (Lena or Lenna) in terms of accuracy and speed. Based on our results, we conclude that both algorithms were comparable in terms of speed and accuracy. However, the Levenberg- Marquardt algorithm has shown slightly better performance in terms of accuracy (as found in the average training accuracy and mean squared error), whereas the Scaled Conjugate Gradient algorithm faired better in terms of speed (as found in the average training iteration) on a simple MLP structure (2 hidden layers).
Multilayer extreme learning machine for hand movement prediction based on ele...journalBEEI
Brain computer interface (BCI) technology connects humans with machines via electroencephalography (EEG). The mechanism of BCI is pattern recognition, which proceeds by feature extraction and classification. Various feature extraction and classification methods can differentiate human motor movements, especially those of the hand. Combinations of these methods can greatly improve the accuracy of the results. This article explores the performances of nine feature-extraction types computed by a multilayer extreme learning machine (ML-ELM). The proposed method was tested on different numbers of EEG channels and different ML-ELM structures. Moreover, the performance of ML-ELM was compared with those of ELM, Support Vector Machine and Naive Bayes in classifying real and imaginary hand movements in offline mode. The ML-ELM with discrete wavelet transform (DWT) as feature extraction outperformed the other classification methods with highest accuracy 0.98. So, the authors also found that the structures influenced the accuracy of ML-ELM for different task, feature extraction used and channel used.
A general frame for building optimal multiple SVM kernelsinfopapers
Dana Simian, Florin Stoica, A General Frame for Building Optimal Multiple SVM Kernels, Large-Scale Scientific Computing, Lecture Notes in Computer Science, 2012, Volume 7116/2012, 256-263, DOI: 10.1007/978-3-642-29843-1_29
Electroencephalography (EEG) based brain Computer interface (BCI) needs efficient algorithms to extract discriminative features from raw EEG signals. The issue of selecting optimizing spatial spectral features is key to high performance motor imagery(MI) classification, which is one of the main topics in EEG-based brain computer interfaces. Some novel methods are used first which formulates the selection of features as maximizing mutual information between class labels and features. It then uses an efficient algorithms for pattern feature extraction frame work,to select an effective feature set. The results shows the classification accuracy obtained and is compared with the other existing algorithms
International Journal of Engineering Research and Applications (IJERA) is an open access online peer reviewed international journal that publishes research and review articles in the fields of Computer Science, Neural Networks, Electrical Engineering, Software Engineering, Information Technology, Mechanical Engineering, Chemical Engineering, Plastic Engineering, Food Technology, Textile Engineering, Nano Technology & science, Power Electronics, Electronics & Communication Engineering, Computational mathematics, Image processing, Civil Engineering, Structural Engineering, Environmental Engineering, VLSI Testing & Low Power VLSI Design etc.
IMPROVING SUPERVISED CLASSIFICATION OF DAILY ACTIVITIES LIVING USING NEW COST...cscpconf
The growing population of elders in the society calls for a new approach in care giving. By inferring what activities elderly are performing in their houses it is possible to determine their
physical and cognitive capabilities. In this paper we show the potential of important discriminative classifiers namely the Soft-Support Vector Machines (C-SVM), Conditional Random Fields (CRF) and k-Nearest Neighbors (k-NN) for recognizing activities from sensor patterns in a smart home environment. We address also the class imbalance problem in activity recognition field which has been known to hinder the learning performance of classifiers. Cost sensitive learning is attractive under most imbalanced circumstances, but it is difficult to determine the precise misclassification costs in practice. We introduce a new criterion for selecting the suitable cost parameter C of the C-SVM method. Through our evaluation on four real world imbalanced activity datasets, we demonstrate that C-SVM based on our proposed criterion outperforms the state-of-the-art discriminative methods in activity recognition.
International Journal of Engineering Research and Applications (IJERA) is an open access online peer reviewed international journal that publishes research and review articles in the fields of Computer Science, Neural Networks, Electrical Engineering, Software Engineering, Information Technology, Mechanical Engineering, Chemical Engineering, Plastic Engineering, Food Technology, Textile Engineering, Nano Technology & science, Power Electronics, Electronics & Communication Engineering, Computational mathematics, Image processing, Civil Engineering, Structural Engineering, Environmental Engineering, VLSI Testing & Low Power VLSI Design etc.
AN IMPROVED METHOD FOR IDENTIFYING WELL-TEST INTERPRETATION MODEL BASED ON AG...IAEME Publication
This paper presents an approach based on applying an aggregated predictor formed by multiple versions of a multilayer neural network with a back-propagation optimization algorithm for helping the engineer to get a list of the most appropriate well-test interpretation models for a given set of pressure/ production data. The proposed method consists of three stages: (1) data decorrelation through principal component analysis to reduce the covariance between the variables and the dimension of the input layer in the artificial neural network, (2) bootstrap replicates of the learning set where the data is repeatedly sampled with a random split of the data into train sets and using these as new learning sets, and (3) automatic reservoir model identification through aggregated predictor formed by a plurality vote when predicting a new class. This method is described in detail to ensure successful replication of results. The required training and test dataset were generated by using analytical solution models. In our case, there were used 600 samples: 300 for training, 100 for cross-validation, and 200 for testing. Different network structures were tested during this study to arrive at optimum network design. We notice that the single net methodology always brings about confusion in selecting the correct model even though the training results for the constructed networks are close to 1. We notice also that the principal component analysis is an effective strategy in reducing the number of input features, simplifying the network structure, and lowering the training time of the ANN. The results obtained show that the proposed model provides better performance when predicting new data with a coefficient of correlation approximately equal to 95% Compared to a previous approach 80%, the combination of the PCA and ANN is more stable and determine the more accurate results with lesser computational complexity than was feasible previously. Clearly, the aggregated predictor is more stable and shows less bad classes compared to the previous approach.
Evaluation of a hybrid method for constructing multiple SVM kernelsinfopapers
Dana Simian, Florin Stoica, Evaluation of a hybrid method for constructing multiple SVM kernels, Recent Advances in Computers, Proceedings of the 13th WSEAS International Conference on Computers, Recent Advances in Computer Engineering Series, WSEAS Press, Rodos, Greece, July 23-25, 2009, ISSN: 1790-5109, ISBN: 978-960-474-099-4, pp. 619-623
KNOWLEDGE BASED ANALYSIS OF VARIOUS STATISTICAL TOOLS IN DETECTING BREAST CANCERcscpconf
In this paper, we study the performance criterion of machine learning tools in classifying breast cancer. We compare the data mining tools such as Naïve Bayes, Support vector machines, Radial basis neural networks, Decision trees J48 and simple CART. We used both binary and multi class data sets namely WBC, WDBC and Breast tissue from UCI machine learning depositary. The experiments are conducted in WEKA. The aim of this research is to find out the best classifier with respect to accuracy, precision, sensitivity and specificity in detecting breast cancer
International Journal of Engineering Research and Applications (IJERA) is an open access online peer reviewed international journal that publishes research and review articles in the fields of Computer Science, Neural Networks, Electrical Engineering, Software Engineering, Information Technology, Mechanical Engineering, Chemical Engineering, Plastic Engineering, Food Technology, Textile Engineering, Nano Technology & science, Power Electronics, Electronics & Communication Engineering, Computational mathematics, Image processing, Civil Engineering, Structural Engineering, Environmental Engineering, VLSI Testing & Low Power VLSI Design etc.
PSO-based Training, Pruning, and Ensembling of Extreme Learning Machine RBF N...ijceronline
International Journal of Computational Engineering Research (IJCER) is dedicated to protecting personal information and will make every reasonable effort to handle collected information appropriately. All information collected, as well as related requests, will be handled as carefully and efficiently as possible in accordance with IJCER standards for integrity and objectivity.
AN EFFICIENT PSO BASED ENSEMBLE CLASSIFICATION MODEL ON HIGH DIMENSIONAL DATA...ijsc
As the size of the biomedical databases are growing day by day, finding an essential features in the disease prediction have become more complex due to high dimensionality and sparsity problems. Also, due to the
availability of a large number of micro-array datasets in the biomedical repositories, it is difficult to analyze, predict and interpret the feature information using the traditional feature selection based classification models. Most of the traditional feature selection based classification algorithms have computational issues such as dimension reduction, uncertainty and class imbalance on microarray datasets. Ensemble classifier is one of the scalable models for extreme learning machine due to its high efficiency, the fast processing speed for real-time applications. The main objective of the feature selection
based ensemble learning models is to classify the high dimensional data with high computational efficiency
and high true positive rate on high dimensional datasets. In this proposed model an optimized Particle swarm optimization (PSO) based Ensemble classification model was developed on high dimensional microarray
datasets. Experimental results proved that the proposed model has high computational efficiency compared to the traditional feature selection based classification models in terms of accuracy , true positive rate and error rate are concerned.
An Efficient PSO Based Ensemble Classification Model on High Dimensional Data...ijsc
As the size of the biomedical databases are growing day by day, finding an essential features in the disease prediction have become more complex due to high dimensionality and sparsity problems. Also, due to the availability of a large number of micro-array datasets in the biomedical repositories, it is difficult to
analyze, predict and interpret the feature information using the traditional feature selection based classification models. Most of the traditional feature selection based classification algorithms have computational issues such as dimension reduction, uncertainty and class imbalance on microarray datasets. Ensemble classifier is one of the scalable models for extreme learning machine due to its high efficiency, the fast processing speed for real-time applications. The main objective of the feature selection based ensemble learning models is to classify the high dimensional data with high computational efficiency and high true positive rate on high dimensional datasets. In this proposed model an optimized Particle swarm optimization (PSO) based Ensemble classification model was developed on high dimensional microarray datasets. Experimental results proved that the proposed model has high computational efficiency compared to the traditional feature selection based classification models in terms of accuracy , true positive rate and error rate are concerned.
Novel Class Detection Using RBF SVM Kernel from Feature Evolving Data Streamsirjes
In the data mining field the classification of data stream creates many problems. The challenges
faces in the data stream are infinite length, concept drift, concept evaluation and feature evolution. Most of the
existing system focuses on the only first two challenges. We propose a framework in which each classifier is
prepared with the novel class detector for addressing the two challenges concept drift and concept evaluation
and for addressing the feature evolution feature set homogeneous technique is proposed. We improved the
novel class detection module by building it more adaptive to evolving the stream. SVM based feature extraction
for RBF kernel method is also proposed for detecting the novel class from the steaming data. By using the
concept of permutation and combination RBF kernel extracts the features and find out the relation between
them. This improves the novel class detect technique and provide more accuracy for classifying the data
Time Series Forecasting Using Novel Feature Extraction Algorithm and Multilay...Editor IJCATR
Time series forecasting is important because it can often provide the foundation for decision making in a large variety of fields. A tree-ensemble method, referred to as time series forest (TSF), is proposed for time series classification. The approach is based on the concept of data series envelopes and essential attributes generated by a multilayer neural network... These claims are further investigated by applying statistical tests. With the results presented in this article and results from related investigations that are considered as well, we want to support practitioners or scholars in answering the following question: Which measure should be looked at first if accuracy is the most important criterion, if an application is time-critical, or if a compromise is needed? In this paper demonstrated feature extraction by novel method can improvement in time series data forecasting process
With the increase in Internet users the number of malicious users are also growing day-by-day posing a
serious problem in distinguishing between normal and abnormal behavior of users in the network. This
has led to the research area of intrusion detection which essentially analyzes the network traffic and tries
to determine normal and abnormal patterns of behavior.In this paper, we have analyzed the standard
NSL-KDD intrusion dataset using some neural network based techniques for predicting possible
intrusions. Four most effective classification methods, namely, Radial Basis Function Network, Self-
Organizing Map, Sequential Minimal Optimization, and Projective Adaptive Resonance Theory have been
applied. In order to enhance the performance of the classifiers, three entropy based feature selection
methods have been applied as preprocessing of data. Performances of different combinations of classifiers
and attribute reduction methods have also been compared.
ON THE PREDICTION ACCURACIES OF THREE MOST KNOWN REGULARIZERS : RIDGE REGRESS...ijaia
The work in this paper shows intensive empirical experiments using 13 datasets to understand the regularization effectiveness of ridge regression, the lasso estimate, and elastic net regularization methods. The study offers a deep understanding of how the datasets affect the goodness of the prediction accuracy of each regularization method for a given problem given the diversity in the datasets used. The results have shown that datasets play crucial rules on the performance of the regularization method and that the
predication accuracy depends heavily on the nature of the sampled datasets.
Neural Network Model Development with Soft Computing Techniques for Membrane ...IJECEIAES
Membrane bioreactor employs an efficient filtration technology for solid and liquid separation in wastewater treatment process. Development of membrane filtration model is significant as this model can be used to predict filtration dynamic which is later utilized in control development. Most of the available models only suitable for monitoring purpose, which are too complex, required many variables and not suitable for control system design. This work focusing on the simple time seris model for membrane filtration process using neural network technique. In this paper, submerged membrane filtration model developed using recurrent neural network (RNN) train using genetic algorithm (GA), inertia weight particle swarm optimization (IWPSO) and gravitational search algorithm (GSA). These optimization algorithms are compared in term of its accuracy and convergent speed in updating the weights and biases of the RNN for optimal filtration model. The evaluation of the models is measured using three performance evaluations, which are mean square error (MSE), mean absolute deviation (MAD) and coefficient of determination (R2). From the results obtained, all methods yield satisfactory result for the model, with the best results given by IW-PSO.
Implementation of energy efficient coverage aware routing protocol for wirele...ijfcstjournal
In recent years, wireless sensor network have been used in many application such as disaster reservation,
agriculture, environmental observation and forecasting .Coverage preservation and energy consumption
are two most important issues in wireless sensor networks. To increase the network lifetime, we propose an
energy efficient coverage aware routing protocol for wireless sensor network for randomly deployed sensor
nodes. Some of the routing protocol is based on energy efficiency and some are based on coverage aware.
The proposed routing protocol is based on both the issues i.e. coverage and energy, in which we first find
the k-mean i.e. the degree of coverage, so that we can use this in the selection of cluster heads in wireless
sensor network by using Genetic Algorithm for increasing network lifetime and coverage. For cluster head
selection each node evaluates its k-mean and energy by internal function which used as fitness function in
genetic algorithm. The proposed algorithm “Implementation of energy efficient coverage aware routing
protocol for Wireless Sensor Network” is designed for homogeneous wireless sensor network. Simulations
results show that proposed algorithm increases the network lifetime by reduce the energy consumption and
preserve coverage. Simulation is done with MATLAB and a comparison of algorithm with benchmark
algorithms is also performed.
International Journal of Engineering Research and Applications (IJERA) is an open access online peer reviewed international journal that publishes research and review articles in the fields of Computer Science, Neural Networks, Electrical Engineering, Software Engineering, Information Technology, Mechanical Engineering, Chemical Engineering, Plastic Engineering, Food Technology, Textile Engineering, Nano Technology & science, Power Electronics, Electronics & Communication Engineering, Computational mathematics, Image processing, Civil Engineering, Structural Engineering, Environmental Engineering, VLSI Testing & Low Power VLSI Design etc.
Similar to Application of support vector machines for prediction of anti hiv activity of tibo derivatives (20)
Key Trends Shaping the Future of Infrastructure.pdfCheryl Hung
Keynote at DIGIT West Expo, Glasgow on 29 May 2024.
Cheryl Hung, ochery.com
Sr Director, Infrastructure Ecosystem, Arm.
The key trends across hardware, cloud and open-source; exploring how these areas are likely to mature and develop over the short and long-term, and then considering how organisations can position themselves to adapt and thrive.
Epistemic Interaction - tuning interfaces to provide information for AI supportAlan Dix
Paper presented at SYNERGY workshop at AVI 2024, Genoa, Italy. 3rd June 2024
https://alandix.com/academic/papers/synergy2024-epistemic/
As machine learning integrates deeper into human-computer interactions, the concept of epistemic interaction emerges, aiming to refine these interactions to enhance system adaptability. This approach encourages minor, intentional adjustments in user behaviour to enrich the data available for system learning. This paper introduces epistemic interaction within the context of human-system communication, illustrating how deliberate interaction design can improve system understanding and adaptation. Through concrete examples, we demonstrate the potential of epistemic interaction to significantly advance human-computer interaction by leveraging intuitive human communication strategies to inform system design and functionality, offering a novel pathway for enriching user-system engagements.
UiPath Test Automation using UiPath Test Suite series, part 3DianaGray10
Welcome to UiPath Test Automation using UiPath Test Suite series part 3. In this session, we will cover desktop automation along with UI automation.
Topics covered:
UI automation Introduction,
UI automation Sample
Desktop automation flow
Pradeep Chinnala, Senior Consultant Automation Developer @WonderBotz and UiPath MVP
Deepak Rai, Automation Practice Lead, Boundaryless Group and UiPath MVP
Kubernetes & AI - Beauty and the Beast !?! @KCD Istanbul 2024Tobias Schneck
As AI technology is pushing into IT I was wondering myself, as an “infrastructure container kubernetes guy”, how get this fancy AI technology get managed from an infrastructure operational view? Is it possible to apply our lovely cloud native principals as well? What benefit’s both technologies could bring to each other?
Let me take this questions and provide you a short journey through existing deployment models and use cases for AI software. On practical examples, we discuss what cloud/on-premise strategy we may need for applying it to our own infrastructure to get it to work from an enterprise perspective. I want to give an overview about infrastructure requirements and technologies, what could be beneficial or limiting your AI use cases in an enterprise environment. An interactive Demo will give you some insides, what approaches I got already working for real.
Smart TV Buyer Insights Survey 2024 by 91mobiles.pdf91mobiles
91mobiles recently conducted a Smart TV Buyer Insights Survey in which we asked over 3,000 respondents about the TV they own, aspects they look at on a new TV, and their TV buying preferences.
Slack (or Teams) Automation for Bonterra Impact Management (fka Social Soluti...Jeffrey Haguewood
Sidekick Solutions uses Bonterra Impact Management (fka Social Solutions Apricot) and automation solutions to integrate data for business workflows.
We believe integration and automation are essential to user experience and the promise of efficient work through technology. Automation is the critical ingredient to realizing that full vision. We develop integration products and services for Bonterra Case Management software to support the deployment of automations for a variety of use cases.
This video focuses on the notifications, alerts, and approval requests using Slack for Bonterra Impact Management. The solutions covered in this webinar can also be deployed for Microsoft Teams.
Interested in deploying notification automations for Bonterra Impact Management? Contact us at sales@sidekicksolutionsllc.com to discuss next steps.
GraphRAG is All You need? LLM & Knowledge GraphGuy Korland
Guy Korland, CEO and Co-founder of FalkorDB, will review two articles on the integration of language models with knowledge graphs.
1. Unifying Large Language Models and Knowledge Graphs: A Roadmap.
https://arxiv.org/abs/2306.08302
2. Microsoft Research's GraphRAG paper and a review paper on various uses of knowledge graphs:
https://www.microsoft.com/en-us/research/blog/graphrag-unlocking-llm-discovery-on-narrative-private-data/
Let's dive deeper into the world of ODC! Ricardo Alves (OutSystems) will join us to tell all about the new Data Fabric. After that, Sezen de Bruijn (OutSystems) will get into the details on how to best design a sturdy architecture within ODC.
GDG Cloud Southlake #33: Boule & Rebala: Effective AppSec in SDLC using Deplo...James Anderson
Effective Application Security in Software Delivery lifecycle using Deployment Firewall and DBOM
The modern software delivery process (or the CI/CD process) includes many tools, distributed teams, open-source code, and cloud platforms. Constant focus on speed to release software to market, along with the traditional slow and manual security checks has caused gaps in continuous security as an important piece in the software supply chain. Today organizations feel more susceptible to external and internal cyber threats due to the vast attack surface in their applications supply chain and the lack of end-to-end governance and risk management.
The software team must secure its software delivery process to avoid vulnerability and security breaches. This needs to be achieved with existing tool chains and without extensive rework of the delivery processes. This talk will present strategies and techniques for providing visibility into the true risk of the existing vulnerabilities, preventing the introduction of security issues in the software, resolving vulnerabilities in production environments quickly, and capturing the deployment bill of materials (DBOM).
Speakers:
Bob Boule
Robert Boule is a technology enthusiast with PASSION for technology and making things work along with a knack for helping others understand how things work. He comes with around 20 years of solution engineering experience in application security, software continuous delivery, and SaaS platforms. He is known for his dynamic presentations in CI/CD and application security integrated in software delivery lifecycle.
Gopinath Rebala
Gopinath Rebala is the CTO of OpsMx, where he has overall responsibility for the machine learning and data processing architectures for Secure Software Delivery. Gopi also has a strong connection with our customers, leading design and architecture for strategic implementations. Gopi is a frequent speaker and well-known leader in continuous delivery and integrating security into software delivery.
GDG Cloud Southlake #33: Boule & Rebala: Effective AppSec in SDLC using Deplo...
Application of support vector machines for prediction of anti hiv activity of tibo derivatives
1. Chemistry and Materials Research www.iiste.org
ISSN 2224- 3224 (Print) ISSN 2225- 0956 (Online)
Vol.3 No.9, 2013
119
Application of support vector machines for prediction of anti-HIV
activity of TIBO Derivatives.
Rachid Darnag 1
* Brahim Minaoui 2
Mohamed Fakir 3
1. Département de Physique, Laboratoire de Traitement de l'Information et de Télécommunication,
Faculté des
Sciences et Technique BP 523 Université Sultan Moulay Slimane, Béni-Mellal, Morocco,
2. Département de Physique, Laboratoire de Traitement de l'Information et de Télécommunication,
Faculté des
Sciences et Technique BP 523 Université Sultan Moulay Slimane, Béni-Mellal, Morocco
3. Département de l’Informatique, Faculté des Sciences et Technique BP 523 Université Sultan Moulay Slimane,
Béni-Mellal, Morocco
* E-mail of the corresponding author:r.darnag@gmail.com
Abstract
The performance and predictive power of support vector machines (SVM) for regression problems in
quantitative structure-activity relationship were investigated. The SVM results are superior to those obtained by
artificial neural network and multiple linear regression. These results indicate that the SVM model with the
kernel radial basis function can be used as an alternative tool for regression problems in quantitative structure-
activity relationship.
Keywords: support vector machine (SVM); ANN; QSAR
Introduction
The Quantitative Structure-Activity Relationship (QSAR) approach became very useful and largely
widespread for the prediction of anti-HIV activity, particularly in drug design. This approach is based on the
assumption that the variations in the properties of the compounds can be correlated with changes in their
molecular features, characterized by the so-called “molecular descriptors”. A certain number of computational
techniques have been found useful for the establishment of the relationships between molecular structures and
anti-HIV activity such as Multiple Linear Regression (MLR), Partial Least Square regression (PLS) and different
types of Artificial Neural Networks (ANN) [1]. For these methods, linear model is limited for a complex
biological system. The flexibility of ANN enables them to discover more complex nonlinear relationships in
experimental data. However, these neural systems have some problems inherent to its architecture such as over
training, over fitting and network optimization. Other problems with the use of ANN concern the reproducibility
of results, due largely to random initialization of the networks and variation of stopping criteria. Owing to the
reasons mentioned above, there is a growing interest in the application of SVM in the field of QSAR. The SVM
is a relatively recent approach introduced by Vapnik [2] and Burges [3] in order to solve supervised
classification and regression problems, or more colloquially learning from examples.
SVM have strong theoretical foundations and excellent empirical successes. They have been applied to tasks
such as handwritten digit recognition, object recognition, text classification, cancer diagnosis, identification of
2. Chemistry and Materials Research www.iiste.org
ISSN 2224- 3224 (Print) ISSN 2225- 0956 (Online)
Vol.3 No.9, 2013
120
HIV protease cleavages sites. They have also been applied to the prediction of retention index of protein and the
investigation of QSAR studies.
Methodology
Support vector machines
A SVM is a supervised learning technique from the field of machine learning applicable to both
classification and regression. SVM developed by Cortes and Vapnik [4], as a novel type of machine learning
method, is gaining popularity due to many attractive features and promising empirical performance.
Originally it was worked out for linear two-class classification with margin, where margin means the
minimal distance from the separating hyper plane to the closest data points. SVM learning machine seeks for an
optimal separating hyper-plane, where the margin is maximal. An important and unique feature of this approach
is that the solution is based only on those data points, which are at the margin. These points are called support
vectors. The linear SVM can be extended to nonlinear one when first the problem is transformed into a feature
space using a set of nonlinear basis functions. In the feature space which can be very high dimensional, the data
points can be separated linearly. An important advantage of the SVM is that it is not necessary to implement this
transformation and to determine the separating hyper-plane in the possibly very-high dimensional feature space,
instead a kernel representation can be used, where the solution is written as a weighted sum of the values of
certain kernel function evaluated at the support vectors.
All SVM model in our present study were implemented using the software Libsvm that is an efficient
software for classification and regression developed by Chin-Chang and Chih-Jen Lin [5].
Artificial neural networks
ANN are artificial systems simulating the function of the human brain. Three components constitute a neural
network: the processing elements or nodes, the topology of the connections between the nodes, and the learning
rule by which new information is encoded in the network. While there are a number of different ANN models,
the most frequently used type of ANN in QSAR is the three-layered feed-forward network [6]. In this type of
networks, the neurons are arranged in layers (an input layer, one hidden layer and an output layer). Each neuron
in any layer is fully connected with the neurons of a succeeding layer and no connections are between neurons
belonging to the same layer.
According to the supervised learning adopted, the networks are taught by giving them examples of input
patterns and the corresponding target outputs. Through an iterative process, the connection weights are modified
until the network gives the desired results for the training set of data. A back-propagation algorithm is used to
minimize the error function. This algorithm has been described previously with a simple example of application
[7] and a detail of this algorithm is given elsewhere [8].
Data set
A series of 82 4,5,6,7-Tetrahydro-5-methylimidazo[4,5,1-jk][1,4]benzodiazepin-2(1H)-ones (TIBO)
molecules [9] were taken under consideration in this study. All the molecules studied had the same parent
skeleton. The structures and anti-HIV-1 activities of these compounds were described previously [9]. The anti-
3. Chemistry and Materials Research www.iiste.org
ISSN 2224- 3224 (Print) ISSN 2225- 0956 (Online)
Vol.3 No.9, 2013
121
HIV activity of the compounds has been expressed by the compound’s ability to protect MT-4 cells against the
cytopathic effect of the virus. The concentration of the compound leading to 50% effect has been measured and
expressed as IC50. The logarithm of the inverse of this parameter has been used as biological end points (log
1/IC50) in the QSAR studies.
In our study, each molecule was described by 4 descriptors, which are given by Garg et al. [9]. These
descriptors characterize the hydrophobic, the steric and the electronic aspects, respectively:
logP: the calculated octanol/water partition coefficient of the molecule
B1(8-x): Verloop’s sterimol parameter (width arameter of the X substituent at the position 8)
IR = 1 if R = 3,3-dimethyallyl and IR = 0 for others
IZ = 1 if Z = Oxygen and IZ = 0 if Z =Sulphur
82×5 matrix was obtained. 82 represents the number of the molecules and 5 represents the dependent
variable
(log 1/IC50) and the four independent variables (the 4 mentioned descriptors).
Results and Discussion
Two different sessions have been achieved: computation and prediction. The first one was aimed at
selecting the parameters of the SVM. The second one was aimed at determining the predictive ability of the
SVM.
Computation
The performances of SVM depend on the combination of several parameters. They are capacity
parameter C, ε of ε-insensitive loss function and the corresponding parameters of the kernel function. C is a
regularization parameter that controls the tradeoff between maximizing the margin and minimizing the
training error. If C is too small, then insufficient stress will be placed on fitting the training data. If C is too
large, then the algorithm will overfit the training data. However, Wang et al. [10] indicated that prediction
error was scarcely influenced by C. In order to make the learning process stable, a large value should be set
up for C.
The selection of the kernel function and corresponding parameters is very important because they
implicitly define the distribution of the training set samples in the high dimensional feature space and also the
linear model constructed in the feature space. There are four possible choices of kernel functions available in
the LibSVM package i.e., linear, polynomial, radial basis function, and sigmoid function. For regression
tasks, the radial basis function kernel is often used because of its effectiveness and speed in training process.
In this work the form of the radial basis function used is:
)exp(
2
νµγ −−
where γ is a parameter of the kernel, µ and ν are the two independent variables.
4. Chemistry and Materials Research www.iiste.org
ISSN 2224- 3224 (Print) ISSN 2225- 0956 (Online)
Vol.3 No.9, 2013
122
The γ of the kernel function greatly affect the number of support vectors, which has a close relation with
the performance of the SVM and training time. Many support vectors could produce over fitting and increase the
training time. In addition, γ controls the amplitude of the RBF function, and therefore, controls the
generalization ability of SVM.
The optimal value for ε depends on the type of noise present in the data, which is usually unknown. Even if
enough knowledge of the noise is available to select an optimal value forε , there is the practical consideration
of the number of resulting support vectors. ε -insensitivity prevents the entire training set meeting boundary
conditions, and so allows for the possibility of sparsity in the dual formulation’s solution. So, choosing the
appropriate value of ε is critical from theory.
To determine the optimal parameters, a grid search was performed based on leave-one-out cross validation
on the original data set for all parameter combinations of C from 100 to 1000 with incremental steps of 50, γ
ranging from 2 to 3.2 with incremental steps of 0.1 and ε from 0.04 to 0.16 with incremental steps of 0.01. The
optimal values of C, γ and ε are 500, 2.8 and 0.09, respectively.
Prediction
After determining the optimum value of C, γ andε , we turned to the most important predictive aspect of
SVM: the prediction of the anti-HIV activity of new molecules. Cross-Validation is an approach particularly
well adapted to the estimation of that ability. It consists in dividing a set of examples into N subsets. Each SVM
model is trained on N-1 subsets and its performance tested on the remaining subset, which acts like a test set.
This process is repeated for all the N subsets. When the subsets contain only one element, the process mentioned
above is then called the LOO procedure. The drawback of such an approach is its greater computational demands.
In this paper the LOO procedure was used to evaluate the predictive ability of the SVM.
In our previous study [11] ANN and MLR methods were applied to the same data set and the same four
molecular descriptors. Nine ANN architectures of 4-x-1 (x = 5-13, x represents the number of hidden neurons)
have been tested. The results of QSAR done by these ANN architectures, by the MLR analysis and by the SVM
method are given in Table 1. The quality of the fitting is estimated by the root mean square error (RMSE) and by
the statistical parameter q2
[12].
As it can be seen in table 1, high correlation coefficient (q2
= 0.96) and low RMSE (0.212) have been
obtained by means of the SVM. According to this table, it is clear that the performance of SVM is better than
those obtained by ANN and MLR techniques. Indeed, in every case, the SVM’s correlation coefficient is greater
and its standard deviation is lower than those of the ANN and MLR.
The plot of predicted versus experimental values for data set is shown in Fig. 1. This figure shows that the
log(1/IC50) values predicted by the SVM are very close to the experimental ones.
5. Chemistry and Materials Research www.iiste.org
ISSN 2224- 3224 (Print) ISSN 2225- 0956 (Online)
Vol.3 No.9, 2013
123
Table 1: Predictive ability of SVM, ANN and MLR
Method q² RMSE
SVM 0.960 0.212
4-5-1 0.910 0.432
4-6-1 0.924 0.395
4-7-1 0.925 0.394
4-8-1 0.924 0.395
4-9-1 0.923 0.399
4-10-1 0.922 0.401
4-11-1 0.927 0.388
4-12-1 0.923 0.399
4-13-1 0.928 0.387
MLR 0.861 0.550
3 4 5 6 7 8 9
3
4
5
6
7
8
9
Experimentalactivity
Calculated activity
Figure 1. log (1/IC50) observed experimentally versus log (1/IC50) predicted by SVM.
Conclusion
The support vector machine was used to develop a QSAR model for the prediction of the anti-HIV-1
activity of TIBO derivatives. The results obtained show that the SVM technique was able to establish a
satisfactory relationship between the molecular descriptors and the anti-HIV-1 activity. This technique is able to
extract necessary information from examples, without explicitly incorporating rules into the SVM, in order to
develop a reliable QSAR. The SVM approach would seem to have a great potential for determining quantitative
structure-anti-HIV-1 activity relationships and as such be a valuable tool for the chemist.
6. Chemistry and Materials Research www.iiste.org
ISSN 2224- 3224 (Print) ISSN 2225- 0956 (Online)
Vol.3 No.9, 2013
124
REFERENCES
[1]L. Douali, D. Villemin, and D. Cherqaoui, “Comparative QSAR based on neural networks for the anti-HIV
activity of HEPT derivatives,” Curr. Pharm. Des, vol. 9, pp. 1817-1826, August 2003.
[2]V. N. Vapnik, “The Nature of Statistical Learning Theory, (Eds) Springer,” Berlin, 1995.
[3] J. C. Burges, “A tutorial on support vector machines for pattern recognition” Data Min. Know. Discovery,
vol. 2, pp. 121–167, 1998.
[4] C. Cortes, and V. Vapnik, “Support vector networks,” Mach. Learn, vol. 20, pp. 273-297, September 1995.
[5] C. C. Chang, and C. J. Lin, LIBSVM-A Library for support vector machine.
http://www/csie.edu/tw/cjlin/libs/libsvm
[6] J. Zupan, and J. Gasteiger (Eds.), “Neural Networks for Chemists. An Introduction,” VCH Publishers,
Weinheim, 1993.
[7] D. Cherqaoui, and D. Villemin, “Use of neural network to determine boiling point of alkanes,” J. Chem. Soc.
Faraday. Trans, vol. 90, pp. 97-102, 1994.
[8] J. A. Freeman, and D. M. Skapura (Eds.), “Neural Networks Algorithms, Applications, and Programming
Techniques,” Addition Wesley Publishing Company, Reading, 1991.
[9] R. Garg, S. P. Gupta, H. Gao, M. S. Babu, and A. K. Debnath, “Comparative Quantitative Structure-
Activity Relationship Studies on Anti-HIV Drugs,” Chem. Rev, vol. 99, pp. 3525-3601, December 1999.
[10] W. J. Wang, Z. B. Xu, W. Z. Lu, and X.Y. Zhang, “Determination of the spread parameter in the Gaussian
kernel for classification and regression,” Neurocomputing, vol. 55, pp. 643–663, October 2003.
[11] L. Douali, D. Villemin, and D. Cherqaoui, “Exploring QSAR of Non-Nucleoside Reverse Transcriptase
Inhibitors by Neural Networks: TIBO Derivatives,” Int. J. Mol. Sci, vol. 5, pp. 48-55, January 2004.
[12] C.Y. Zhao, H.X. Zhang , X.Y. Zhang , M.C. Liu , Z.D. Hu, and B.T. Fan “Application of support vector
machine (SVM) for prediction toxic activity of different data sets,” Toxicology, vol. 217, pp. 105-119 August
2005
7. This academic article was published by The International Institute for Science,
Technology and Education (IISTE). The IISTE is a pioneer in the Open Access
Publishing service based in the U.S. and Europe. The aim of the institute is
Accelerating Global Knowledge Sharing.
More information about the publisher can be found in the IISTE’s homepage:
http://www.iiste.org
CALL FOR JOURNAL PAPERS
The IISTE is currently hosting more than 30 peer-reviewed academic journals and
collaborating with academic institutions around the world. There’s no deadline for
submission. Prospective authors of IISTE journals can find the submission
instruction on the following page: http://www.iiste.org/journals/ The IISTE
editorial team promises to the review and publish all the qualified submissions in a
fast manner. All the journals articles are available online to the readers all over the
world without financial, legal, or technical barriers other than those inseparable from
gaining access to the internet itself. Printed version of the journals is also available
upon request of readers and authors.
MORE RESOURCES
Book publication information: http://www.iiste.org/book/
Recent conferences: http://www.iiste.org/conference/
IISTE Knowledge Sharing Partners
EBSCO, Index Copernicus, Ulrich's Periodicals Directory, JournalTOCS, PKP Open
Archives Harvester, Bielefeld Academic Search Engine, Elektronische
Zeitschriftenbibliothek EZB, Open J-Gate, OCLC WorldCat, Universe Digtial
Library , NewJour, Google Scholar