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

Multi-view constrained clustering with an incomplete mapping between views

Multi-view learning algorithms typically assume a complete bipartite mapping between the different views in order to exchange information during the learning process. However, many applications provide only a partial mapping between the views, creating a challenge for current methods. To address this problem, we propose a multi-view algorithm based on constrained clustering that can operate with an incomplete mapping. Given a set of pairwise constraints in each view, our approach propagates these constraints using a local similarity measure to those instances that can be mapped to the other views, allowing the propagated constraints to be transferred across views via the partial mapping. It uses co-EM to iteratively estimate the propagation within each view based on the current clustering model, transfer the constraints across views, and then update the clustering model. By alternating the learning process between views, this approach produces a unified clustering model that is consistent with all views. We show that this approach significantly improves clustering performance over several other methods for transferring constraints and allows multi-view clustering to be reliably applied when given a limited mapping between the views. Our evaluation reveals that the propagated constraints have high precision with respect to the true clusters in the data, explaining their benefit to clustering performance in both single- and multi-view learning scenarios

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

Exploration of Parameter Spaces in a Virtual Observatory

Like every other field of intellectual endeavor, astronomy is being revolutionised by the advances in information technology. There is an ongoing exponential growth in the volume, quality, and complexity of astronomical data sets, mainly through large digital sky surveys and archives. The Virtual Observatory (VO) concept represents a scientific and technological framework needed to cope with this data flood. Systematic exploration of the observable parameter spaces, covered by large digital sky surveys spanning a range of wavelengths, will be one of the primary modes of research with a VO. This is where the truly new discoveries will be made, and new insights be gained about the already known astronomical objects and phenomena. We review some of the methodological challenges posed by the analysis of large and complex data sets expected in the VO-based research. The challenges are driven both by the size and the complexity of the data sets (billions of data vectors in parameter spaces of tens or hundreds of dimensions), by the heterogeneity of the data and measurement errors, including differences in basic survey parameters for the federated data sets (e.g., in the positional accuracy and resolution, wavelength coverage, time baseline, etc.), various selection effects, as well as the intrinsic clustering properties (functional form, topology) of the data distributions in the parameter spaces of observed attributes. Answering these challenges will require substantial collaborative efforts and partnerships between astronomers, computer scientists, and statisticians.Comment: Invited review, 10 pages, Latex file with 4 eps figures, style files included. To appear in Proc. SPIE, v. 4477 (2001

AMADA-Analysis of Multidimensional Astronomical Datasets

We present AMADA, an interactive web application to analyse multidimensional datasets. The user uploads a simple ASCII file and AMADA performs a number of exploratory analysis together with contemporary visualizations diagnostics. The package performs a hierarchical clustering in the parameter space, and the user can choose among linear, monotonic or non-linear correlation analysis. AMADA provides a number of clustering visualization diagnostics such as heatmaps, dendrograms, chord diagrams, and graphs. In addition, AMADA has the option to run a standard or robust principal components analysis, displaying the results as polar bar plots. The code is written in R and the web interface was created using the Shiny framework. AMADA source-code is freely available at https://goo.gl/KeSPue, and the shiny-app at http://goo.gl/UTnU7I.Comment: Accepted for publication in Astronomy & Computin