Many classification algorithms, including the support vector machine, boosting and logistic regression, can be viewed as minimum contrast methods that minimize a convex surrogate of the 0-1 loss function. We characterize the statistical consequences of using such a surrogate by providing a general quantitative relationship between the risk as assessed using the 0-1 loss and the risk as assessed using any nonnegative surrogate loss function. We show that this relationship gives nontrivial bounds under the weakest possible condition on the loss function--that it satisfy a pointwise form of Fisher consistency for classification. The relationship is based on a variational transformation of the loss function that is easy to compute in many applications. We also present a refined version of this result in the case of low noise. Finally, we present applications of our results to the estimation of convergence rates in the general setting of function classes that are scaled hulls of a finite-dimensional base class.

We describe a procedure which finds a hierarchical clustering by hillclimbing. The cost function we use is a hierarchical extension of the k-means cost; our local moves are tree restructurings and node reorderings. We show these can be accomplished efficiently, by exploiting special properties of squared Euclidean distances and by using techniques from scheduling algorithms.

We propose a functional mixture model for simultaneous clustering and alignment of sets of curves measured on a discrete time grid. The model is specifically tailored to gene expression time course data. Each functional cluster center is a nonlinear combination of solutions of a simple linear differential equation that describes the change of individual mRNA levels when the synthesis and decay rates are constant. The mixture of continuous time parametric functional forms allows one to (a) account for the heterogeneity in the observed profiles, (b) align the profiles in time by estimating real-valued time shifts, (c) capture the synthesis and decay of mRNA in the course of an experiment, and (d) regularize noisy profiles by enforcing smoothness in the mean curves. We derive an EM algorithm for estimating the parameters of the model, and apply the proposed approach to the set of cycling genes in yeast. The experiments show consistent improvement in predictive power and within cluster variance compared to regular Gaussian mixtures.

Knowledge about local invariances with respect to given pattern transformations can greatly improve the accuracy of classification. Previous approaches are either based on regularisation or on the generation of virtual (transformed) examples. We develop a new framework for learning linear classifiers under known transformations based on semidefinite programming. We present a new learning algorithm-- the Semidefinite Programming Machine (SDPM)--which is able to find a maximum margin hyperplane when the training examples are polynomial trajectories instead of single points. The solution is found to be sparse in dual variables and allows to identify those points on the trajectory with minimal real-valued output as virtual support vectors. Extensions to segments of trajectories, to more than one transformation parameter, and to learning with kernels are discussed. In experiments we use a Taylor expansion to locally approximate rotational invariance in pixel images from USPS and find improvements over known methods.

Online algorithms for classification often require vast amounts of memory and computation time when employed in conjunction with kernel functions. In this paper we describe and analyze a simple approach for an on-the-fly reduction of the number of past examples used for prediction. Experiments performed with real datasets show that using the proposed algorithmic approach with a single epoch is competitive with the support vector machine (SVM) although the latter, being a batch algorithm, accesses each training example multiple times.

Density estimation with Gaussian Mixture Models is a popular generative technique used also for clustering. We develop a framework to incorporate side information in the form of equivalence constraints into the model estimation procedure. Equivalence constraints are defined on pairs of data points, indicating whether the points arise from the same source (positive constraints) or from different sources (negative constraints). Such constraints can be gathered automatically in some learning problems, and are a natural form of supervision in others. For the estimation of model parameters we present a closed form EM procedure which handles positive constraints, and a Generalized EM procedure using a Markov net which handles negative constraints. Using publicly available data sets we demonstrate that such side information can lead to considerable improvement in clustering tasks, and that our algorithm is preferable to two other suggested methods using the same type of side information.

We consider the question of predicting nonlinear time series. Kernel Dynamical Modeling (KDM), a new method based on kernels, is proposed as an extension to linear dynamical models. The kernel trick is used twice: first, to learn the parameters of the model, and second, to compute preimages of the time series predicted in the feature space by means of Support Vector Regression. Our model shows strong connection with the classic Kalman Filter model, with the kernel feature space as hidden state space. Kernel Dynamical Modeling is tested against two benchmark time series and achieves high quality predictions.

Nonlinear filtering can solve very complex problems, but typically involve very time consuming calculations. Here we show that for filters that are constructed as a RBF network with Gaussian basis functions, a decomposition into linear filters exists, which can be computed efficiently in the frequency domain, yielding dramatic improvement in speed. We present an application of this idea to image processing. In electron micrograph images of photoreceptor terminals of the fruit fly, Drosophila, synaptic vesicles containing neurotransmitter should be detected and labeled automatically. We use hand labels, provided by human experts, to learn a RBF filter using Support Vector Regression with Gaussian kernels. We will show that the resulting nonlinear filter solves the task to a degree of accuracy, which is close to what can be achieved by human experts. This allows the very time consuming task of data evaluation to be done efficiently.

We present a new method for calculating approximate marginals for probability distributions defined by graphs with cycles, based on a Gaussian entropy bound combined with a semidefinite outer bound on the marginal polytope. This combination leads to a log-determinant maximization problem that can be solved by efficient interior point methods [8]. As with the Bethe approximation and its generalizations [12], the optimizing arguments of this problem can be taken as approximations to the exact marginals. In contrast to Bethe/Kikuchi approaches, our variational problem is strictly convex and so has a unique global optimum. An additional desirable feature is that the value of the optimal solution is guaranteed to provide an upper bound on the log partition function. In experimental trials, the performance of the log-determinant relaxation is comparable to or better than the sum-product algorithm, and by a substantial margin for certain problem classes. Finally, the zero-temperature limit of our log-determinant relaxation recovers a class of well-known semidefinite relaxations for integer programming [e.g., 3].

The Minimax Probability Machine Classification (MPMC) framework [Lanckriet et al., 2002] builds classifiers by minimizing the maximum probability of misclassification, and gives direct estimates of the probabilistic accuracy bound Ω. The only assumptions that MPMC makes is that good estimates of means and covariance matrices of the classes exist. However, as with Support Vector Machines, MPMC is computationally expensive and requires extensive cross validation experiments to choose kernels and kernel parameters that give good performance. In this paper we address the computational cost of MPMC by proposing an algorithm that constructs nonlinear sparse MPMC (SMPMC) models by incrementally adding basis functions (i.e.