Neural networks and support vector machines based bio-activity classification

Classification of various compounds into their respective biological activity classes is important in drug discovery applications from an early phase virtual compound filtering and screening point of view. In this work two types of neural networks, multi layer perceptron (MLP) and radial basis functions (RBF), and support vector machines (SVM) were employed for the classification of three types of biologically active enzyme inhibitors. Both of the networks were trained with back propagation learning method with chemical compounds whose active inhibition properties were previously known. A group of topological indices, selected with the help of principle component analysis (PCA) were used as descriptors. The results of all the three classification methods show that the performance of both the neural networks is better than the SVM

Astrophysical Data Analytics based on Neural Gas Models, using the Classification of Globular Clusters as Playground

In Astrophysics, the identification of candidate Globular Clusters through deep, wide-field, single band HST images, is a typical data analytics problem, where methods based on Machine Learning have revealed a high efficiency and reliability, demonstrating the capability to improve the traditional approaches. Here we experimented some variants of the known Neural Gas model, exploring both supervised and unsupervised paradigms of Machine Learning, on the classification of Globular Clusters, extracted from the NGC1399 HST data. Main focus of this work was to use a well-tested playground to scientifically validate such kind of models for further extended experiments in astrophysics and using other standard Machine Learning methods (for instance Random Forest and Multi Layer Perceptron neural network) for a comparison of performances in terms of purity and completeness.Comment: Proceedings of the XIX International Conference "Data Analytics and Management in Data Intensive Domains" (DAMDID/RCDL 2017), Moscow, Russia, October 10-13, 2017, 8 pages, 4 figure

Improved streamflow forecasting using self-organizing radial basis function artificial neural networks

Streamflow forecasting has always been a challenging task for water resources engineers and managers and a major component of water resources system control. In this study, we explore the applicability of a Self Organizing Radial Basis (SORB) function to one-step ahead forecasting of daily streamflow. SORB uses a Gaussian Radial Basis Function architecture in conjunction with the Self-Organizing Feature Map (SOFM) used in data classification. SORB outperforms the two other ANN algorithms, the well known Multi-layer Feedforward Network (MFN) and Self-Organizing Linear Output map (SOLO) neural network for simulation of daily streamflow in the semi-arid Salt River basin. The applicability of the linear regression model was also investigated and concluded that the regression model is not reliable for this study. To generalize the model and derive a robust parameter set, cross-validation is applied and its outcome is compared with the split sample test. Cross-validation justifies the validity of the nonlinear relationship set up between input and output data. © 2004 Elsevier B.V. All rights reserved

Comparison of Support Vector Machine and Back Propagation Neural Network in Evaluating the Enterprise Financial Distress

Recently, applying the novel data mining techniques for evaluating enterprise financial distress has received much research alternation. Support Vector Machine (SVM) and back propagation neural (BPN) network has been applied successfully in many areas with excellent generalization results, such as rule extraction, classification and evaluation. In this paper, a model based on SVM with Gaussian RBF kernel is proposed here for enterprise financial distress evaluation. BPN network is considered one of the simplest and are most general methods used for supervised training of multilayered neural network. The comparative results show that through the difference between the performance measures is marginal; SVM gives higher precision and lower error rates.Comment: 13 pages, 1 figur

Regression modeling for digital test of ΣΔ modulators

The cost of Analogue and Mixed-Signal circuit testing is an important bottleneck in the industry, due to timeconsuming verification of specifications that require state-ofthe- art Automatic Test Equipment. In this paper, we apply the concept of Alternate Test to achieve digital testing of converters. By training an ensemble of regression models that maps simple digital defect-oriented signatures onto Signal to Noise and Distortion Ratio (SNDR), an average error of 1:7% is achieved. Beyond the inference of functional metrics, we show that the approach can provide interesting diagnosis information.Ministerio de Educación y Ciencia TEC2007-68072/MICJunta de Andalucía TIC 5386, CT 30

Evolutionary model type selection for global surrogate modeling

Due to the scale and computational complexity of currently used simulation codes, global surrogate (metamodels) models have become indispensable tools for exploring and understanding the design space. Due to their compact formulation they are cheap to evaluate and thus readily facilitate visualization, design space exploration, rapid prototyping, and sensitivity analysis. They can also be used as accurate building blocks in design packages or larger simulation environments. Consequently, there is great interest in techniques that facilitate the construction of such approximation models while minimizing the computational cost and maximizing model accuracy. Many surrogate model types exist ( Support Vector Machines, Kriging, Neural Networks, etc.) but no type is optimal in all circumstances. Nor is there any hard theory available that can help make this choice. In this paper we present an automatic approach to the model type selection problem. We describe an adaptive global surrogate modeling environment with adaptive sampling, driven by speciated evolution. Different model types are evolved cooperatively using a Genetic Algorithm ( heterogeneous evolution) and compete to approximate the iteratively selected data. In this way the optimal model type and complexity for a given data set or simulation code can be dynamically determined. Its utility and performance is demonstrated on a number of problems where it outperforms traditional sequential execution of each model type

A Multiple Cascade-Classifier System for a Robust and Partially Unsupervised Updating of Land-Cover Maps

A system for a regular updating of land-cover maps is proposed that is based on the use of multitemporal remote-sensing images. Such a system is able to face the updating problem under the realistic but critical constraint that, for the image to be classified (i.e., the most recent of the considered multitemporal data set), no ground truth information is available. The system is composed of an ensemble of partially unsupervised classifiers integrated in a multiple classifier architecture. Each classifier of the ensemble exhibits the following novel peculiarities: i) it is developed in the framework of the cascade-classification approach to exploit the temporal correlation existing between images acquired at different times in the considered area; ii) it is based on a partially unsupervised methodology capable to accomplish the classification process under the aforementioned critical constraint. Both a parametric maximum-likelihood classification approach and a non-parametric radial basis function (RBF) neural-network classification approach are used as basic methods for the development of partially unsupervised cascade classifiers. In addition, in order to generate an effective ensemble of classification algorithms, hybrid maximum-likelihood and RBF neural network cascade classifiers are defined by exploiting the peculiarities of the cascade-classification methodology. The results yielded by the different classifiers are combined by using standard unsupervised combination strategies. This allows the definition of a robust and accurate partially unsupervised classification system capable of analyzing a wide typology of remote-sensing data (e.g., images acquired by passive sensors, SAR images, multisensor and multisource data). Experimental results obtained on a real multitemporal and multisource data set confirm the effectiveness of the proposed system