We apply Elastic-net Multiple Kernel Learning (MKL) to the MDL Drug Data Report (MDDR) database for the problem of drug screening. We show that combining a set of kernels constructed from fingerprint descriptors, can significantly improve the accuracy of prediction, against a Support Vector Machine trained on each kernel separately. To the best of our knowledge, this is the first application of MKL to the MDDR database for drug screening.

We derive generalization error (loss) bounds for orthogonal matching pursuit algorithms, starting with kernel matching pursuit and sparse kernel principal components analysis. We propose (to the best of our knowledge) the first loss bound for kernel matching pursuit using a novel application of sample compression and Vapnik-Chervonenkis bounds. For sparse kernel principal components analysis, we find that it can be bounded using a standard sample compression analysis, as the subspace it constructs is a compression scheme. We demonstrate empirically that this bound is tighter than previous state-of-the-art bounds for principal components analysis, which use global and local Rademacher complexities. From this analysis we propose a novel sparse variant of kernel canonical correlation analysis and bound its generalization performance using the results developed in this paper. We conclude with a general technique for designing matching pursuit algorithms for other learning domains.

In this paper we predict the relevance of images based on a lowdimensional feature space found using several users' eye movements. Each user is given an image-based search task, during which their eye movements are extracted using a Tobii eye tracker. The users also provide us with explicit feedback regarding the relevance of images. We demonstrate that by using a greedy Nyström algorithm on the eye movement features of different users, we can find a suitable low-dimensional feature space for learning. We validate the suitability of this feature space by projecting the eye movement features of a new user into this space, training an online learning algorithm using these features, and showing that the number of mistakes (regret over time) made in predicting relevant images is lower than when using the original eye movement features. We also plot Recall-Precision and ROC curves, and use a sign test to verify the statistical significance of our results.

We analyse matching pursuit for kernel principal components analysis by proving that the sparse subspace it produces is a sample compression scheme. We show that this bound is tighter than the KPCA bound of Shawe-Taylor et al swck-05 and highly predictive of the size of the subspace needed to capture most of the variance in the data. We analyse a second matching pursuit algorithm called kernel matching pursuit (KMP) which does not correspond to a sample compression scheme. However, we give a novel bound that views the choice of subspace of the KMP algorithm as a compression scheme and hence provide a VC bound to upper bound its future loss. Finally we describe how the same bound can be applied to other matching pursuit related algorithms.