Large-scale ligand-based predictive modelling using support vector machines

Large-scale ligand-based predictive modelling using support vector machines

The increasing size of datasets in drug discovery makes it challenging to build robust and accurate predictive models within a reasonable amount of time. In order to investigate the effect of dataset sizes on predictive performance and modelling time, ligand-based regression models were trained on open datasets of varying sizes of up to 1.2 million chemical structures. For modelling, two implem...

STAGE-DISCHARGE MODELING USING SUPPORT VECTOR MACHINES

Establishment of rating curves are often required by the hydrologists for flow estimates in the streams, rivers etc. Measurement of discharge in a river is a time-consuming, expensive, and difficult process and the conventional approach of regression analysis of stage-discharge relation does not provide encouraging results especially during the floods. P

Hash-Based Support Vector Machines Approximation for Large Scale Prediction

How-to train effective classifiers on huge amount of multimedia data is clearly a major challenge that is attracting more and more research works across several communities. Less efforts however are spent on the counterpart scalability issue: how to apply big trained models efficiently on huge non annotated media collections ? In this paper, we address the problem of speeding-up the prediction ...

Support Vector Machines for Large-Scale Regression Problems

Efficient Large Scale Linear Programming Support Vector Machines

This paper presents a decomposition method for efficiently constructing 1-norm Support Vector Machines (SVMs). The decomposition algorithm introduced in this paper possesses many desirable properties. For example, it is provably convergent, scales well to large datasets, is easy to implement, and can be extended to handle support vector regression and other SVM variants. We demonstrate the effi...