We introduce a family of kernels on graphs based on the notion of regularization operators. This generalizes in a natural way the notion of regularization and Greens functions, as commonly used for real valued functions, to graphs. It turns out that di#usion kernels can be found as a special case of our reasoning. We show that the class of positive, monotonically decreasing functions on the unit interval leads to kernels and corresponding regularization operators.

In various application domains, including image recognition, it is natural to represent each example as a set of vectors. With a base kernel we can implicitly map these vectors to a Hilbert space and fit a Gaussian distribution to the whole set using Kernel PCA. We define our kernel between examples as Bhattacharyya's measure of affinity between such Gaussians. The resulting kernel is computable in closed form and enjoys many favorable properties, including graceful behavior under transformations, potentially justifying the vector set representation even in cases when more conventional representations also exist.

A family of kernels for statistical learning is introduced that exploits the geometric structure of statistical models. The kernels are based on the heat equation on the Riemannian manifold defined by the Fisher information metric associated with a statistical family, and generalize the Gaussian kernel of Euclidean space. As an important special case, kernels based on the geometry of multinomial families are derived, leading to kernel-based learning algorithms that apply naturally to discrete data. Bounds on covering numbers and Rademacher averages for the kernels are proved using bounds on the eigenvalues of the Laplacian on Riemannian manifolds. Experimental results are presented for document classification, for which the use of multinomial geometry is natural and well motivated, and improvements are obtained over the standard use of Gaussian or linear kernels, which have been the standard for text classification.

We investigate the use of unlabeled data to help labeled data in classification. We propose a simple iterative algorithm, label propagation, to propagate labels through the dataset along high density areas defined by unlabeled data. We give the analysis of the algorithm, show its solution, and its connection to several other algorithms. We also show how to learn parameters by minimum spanning tree heuristic and entropy minimization, and the algorithm's ability to do feature selection. Experiment results are promising.

Gaussian processes (GPs) are natural generalisations of multivariate Gaussian random variables to in nite (countably or continuous) index sets. GPs have been applied in a large number of elds to a diverse range of ends, and very many deep theoretical analyses of various properties are available. This paper gives an introduction to Gaussian processes on a fairly elementary level with special emphasis on characteristics relevant in machine learning. It draws explicit connections to branches such as spline smoothing models and support vector machines in which similar ideas have been investigated.

The standard representation of text documents as bags of words suffers from well known limitations, mostly due to its inability to exploit semantic similarity between terms. Attempts to incorporate some notion of term similarity include latent semantic indexing [8], the use of semantic networks [9], and probabilistic methods [5]. In this paper we propose two methods for inferring such similarity from a corpus. The first one defines word-similarity based on document-similarity and viceversa, giving rise to a system of equations whose equilibrium point we use to obtain a semantic similarity measure. The second method models semantic relations by means of a diffusion process on a graph defined by lexicon and co-occurrence information. Both approaches produce valid kernel functions parametrised by a real number. The paper shows how the alignment measure can be used to successfully perform model selection over this parameter. Combined with the use of support vector machines we obtain positive results.

Gene function prediction from microarray data is a first step toward better understanding the machinery of the cell from relatively cheap and easy-to-produce data. In this paper we investigate whether the knowledge of many metabolic pathways and their catalyzing enzymes accumulated over the years can help improve the performance of classifiers for this problem.