Context-aware visual exploration of molecular databases

Facilitating the visual exploration of scientific data has received increasing attention in the past decade or so. Especially in life science related application areas the amount of available data has grown at a breath taking pace. In this paper we describe an approach that allows for visual inspection of large collections of molecular compounds. In contrast to classical visualizations of such spaces we incorporate a specific focus of analysis, for example the outcome of a biological experiment such as high throughout screening results. The presented method uses this experimental data to select molecular fragments of the underlying molecules that have interesting properties and uses the resulting space to generate a two dimensional map based on a singular value decomposition algorithm and a self organizing map. Experiments on real datasets show that the resulting visual landscape groups molecules of similar chemical properties in densely connected regions

Fast training of self organizing maps for the visual exploration of molecular compounds

Visual exploration of scientific data in life science area is a growing research field due to the large amount of available data. The Kohonen’s Self Organizing Map (SOM) is a widely used tool for visualization of multidimensional data. In this paper we present a fast learning algorithm for SOMs that uses a simulated annealing method to adapt the learning parameters. The algorithm has been adopted in a data analysis framework for the generation of similarity maps. Such maps provide an effective tool for the visual exploration of large and multi-dimensional input spaces. The approach has been applied to data generated during the High Throughput Screening of molecular compounds; the generated maps allow a visual exploration of molecules with similar topological properties. The experimental analysis on real world data from the National Cancer Institute shows the speed up of the proposed SOM training process in comparison to a traditional approach. The resulting visual landscape groups molecules with similar chemical properties in densely connected regions

Application of artificial neural network in market segmentation: A review on recent trends

Despite the significance of Artificial Neural Network (ANN) algorithm to market segmentation, there is a need of a comprehensive literature review and a classification system for it towards identification of future trend of market segmentation research. The present work is the first identifiable academic literature review of the application of neural network based techniques to segmentation. Our study has provided an academic database of literature between the periods of 2000-2010 and proposed a classification scheme for the articles. One thousands (1000) articles have been identified, and around 100 relevant selected articles have been subsequently reviewed and classified based on the major focus of each paper. Findings of this study indicated that the research area of ANN based applications are receiving most research attention and self organizing map based applications are second in position to be used in segmentation. The commonly used models for market segmentation are data mining, intelligent system etc. Our analysis furnishes a roadmap to guide future research and aid knowledge accretion and establishment pertaining to the application of ANN based techniques in market segmentation. Thus the present work will significantly contribute to both the industry and academic research in business and marketing as a sustainable valuable knowledge source of market segmentation with the future trend of ANN application in segmentation.Comment: 24 pages, 7 figures,3 Table

Image mining: trends and developments

[Abstract]: Advances in image acquisition and storage technology have led to tremendous growth in very large and detailed image databases. These images, if analyzed, can reveal useful information to the human users. Image mining deals with the extraction of implicit knowledge, image data relationship, or other patterns not explicitly stored in the images. Image mining is more than just an extension of data mining to image domain. It is an interdisciplinary endeavor that draws upon expertise in computer vision, image processing, image retrieval, data mining, machine learning, database, and artificial intelligence. In this paper, we will examine the research issues in image mining, current developments in image mining, particularly, image mining frameworks, state-of-the-art techniques and systems. We will also identify some future research directions for image mining

A Framework for Megascale Agent Based Model Simulations on Graphics Processing Units

Agent-based modeling is a technique for modeling dynamic systems from the bottom up. Individual elements of the system are represented computationally as agents. The system-level behaviors emerge from the micro-level interactions of the agents. Contemporary state-of-the-art agent-based modeling toolkits are essentially discrete-event simulators designed to execute serially on the Central Processing Unit (CPU). They simulate Agent-Based Models (ABMs) by executing agent actions one at a time. In addition to imposing an un-natural execution order, these toolkits have limited scalability. In this article, we investigate data-parallel computer architectures such as Graphics Processing Units (GPUs) to simulate large scale ABMs. We have developed a series of efficient, data parallel algorithms for handling environment updates, various agent interactions, agent death and replication, and gathering statistics. We present three fundamental innovations that provide unprecedented scalability. The first is a novel stochastic memory allocator which enables parallel agent replication in O(1) average time. The second is a technique for resolving precedence constraints for agent actions in parallel. The third is a method that uses specialized graphics hardware, to gather and process statistical measures. These techniques have been implemented on a modern day GPU resulting in a substantial performance increase. We believe that our system is the first ever completely GPU based agent simulation framework. Although GPUs are the focus of our current implementations, our techniques can easily be adapted to other data-parallel architectures. We have benchmarked our framework against contemporary toolkits using two popular ABMs, namely, SugarScape and StupidModel.GPGPU, Agent Based Modeling, Data Parallel Algorithms, Stochastic Simulations

Document Collection Visualization and Clustering Using An Atom Metaphor for Display and Interaction

Visual Data Mining have proven to be of high value in exploratory data analysis and data mining because it provides an intuitive feedback on data analysis and support decision-making activities. Several visualization techniques have been developed for cluster discovery such as Grand Tour, HD-Eye, Star Coordinates, etc. They are very useful tool which are visualized in 2D or 3D; however, they have not simple for users who are not trained. This thesis proposes a new approach to build a 3D clustering visualization system for document clustering by using k-mean algorithm. A cluster will be represented by a neutron (centroid) and electrons (documents) which will keep a distance with neutron by force. Our approach employs quantified domain knowledge and explorative observation as prediction to map high dimensional data onto 3D space for revealing the relationship among documents. User can perform an intuitive visual assessment of the consistency of the cluster structure