We present a new formulation for attacking binary classification problems. Instead of relying on convex losses and regularisers such as in SVMs, logistic regression and boosting, or instead non-convex but continuous formulations such as those encountered in neural networks and deep belief networks, our framework entails a non-convex but \emph{discrete} formulation, where estimation amounts to finding a MAP configuration in a graphical model whose potential functions are low-dimensional discrete surrogates for the misclassification loss. We argue that such a discrete formulation can naturally account for a number of issues that are typically encountered in either the convex or the continuous non-convex paradigms, or both. By reducing the learning problem to a MAP inference problem, we can immediately translate the guarantees available for many inference settings to the learning problem itself. We empirically demonstrate in a number of experiments that this approach is promising in dealing with issues such as severe label noise, while still having global optimality guarantees.

Learning theory has largely focused on two main learning scenarios: the classical statistical setting where instances are drawn i.i.d. It can be argued that in the real world neither of these assumptions is reasonable. We define the minimax value of a game where the adversary is restricted in his moves, capturing stochastic and non-stochastic assumptions on data. Building on the sequential symmetrization approach, we define a notion of distribution-dependent Rademacher complexity for the spectrum of problems ranging from i.i.d. to worst-case. The bounds let us immediately deduce variation-type bounds.

The paper addresses the problem of generating multiple hypotheses for prediction tasks that involve interaction with users or successive components in a cascade. Given a set of multiple hypotheses, such components/users have the ability to automatically rank the results and thus retrieve the best one. The standard approach for handling this scenario is to learn a single model and then produce M-best Maximum a Posteriori (MAP) hypotheses from this model. In contrast, we formulate this multiple {\em choice} learning task as a multiple-output structured-output prediction problem with a loss function that captures the natural setup of the problem. We present a max-margin formulation that minimizes an upper-bound on this loss-function.

For a learning problem whose associated excess loss class is $(\beta,B)$-Bernstein, we show that it is theoretically possible to track the same classification performance of the best (unknown) hypothesis in our class, provided that we are free to abstain from prediction in some region of our choice. The (probabilistic) volume of this rejected region of the domain is shown to be diminishing at rate $O(B\theta (\sqrt{1/m})) \beta)$, where $\theta$ is Hanneke's disagreement coefficient. The strategy achieving this performance has computational barriers because it requires empirical error minimization in an agnostic setting. Nevertheless, we heuristically approximate this strategy and develop a novel selective classification algorithm using constrained SVMs. We show empirically that the resulting algorithm consistently outperforms the traditional rejection mechanism based on distance from decision boundary.

Most methods for decision-theoretic online learning are based on the Hedge algorithm, which takes a parameter called the learning rate. In most previous analyses the learning rate was carefully tuned to obtain optimal worst-case performance, leading to suboptimal performance on easy instances, for example when there exists an action that is significantly better than all others. We propose a new way of setting the learning rate, which adapts to the difficulty of the learning problem: in the worst case our procedure still guarantees optimal performance, but on easy instances it achieves much smaller regret. In particular, our adaptive method achieves constant regret in a probabilistic setting, when there exists an action that on average obtains strictly smaller loss than all other actions. We also provide a simulation study comparing our approach to existing methods.

In recent years semidefinite optimization has become a tool of major importance in various optimization and machine learning problems. In many of these problems the amount of data in practice is so large that there is a constant need for faster algorithms. In this work we present the first sublinear time approximation algorithm for semidefinite programs which we believe may be useful for such problems in which the size of data may cause even linear time algorithms to have prohibitive running times in practice. We present the algorithm and its analysis alongside with some theoretical lower bounds and an improved algorithm for the special problem of supervised learning of a distance metric. Papers published at the Neural Information Processing Systems Conference.

We propose maximum covariance unfolding (MCU), a manifold learning algorithm for simultaneous dimensionality reduction of data from different input modalities. Given high dimensional inputs from two different but naturally aligned sources, MCU computes a common low dimensional embedding that maximizes the cross-modal (inter-source) correlations while preserving the local (intra-source) distances. In this paper, we explore two applications of MCU. First we use MCU to analyze EEG-fMRI data, where an important goal is to visualize the fMRI voxels that are most strongly correlated with changes in EEG traces. To perform this visualization, we augment MCU with an additional step for metric learning in the high dimensional voxel space.

The function that evaluates similarity is traditionally hand- designed, but there has been recent interest in supervised or semisupervised settings in which ground-truth clustered data is available for training. Here we show how to train a similarity function by regarding it as the action-value function of a reinforcement learning problem. We apply this general method to segment images by clustering superpixels, an application that we call Learning to Agglomerate Superpixel Hierarchies (LASH). When applied to a challenging dataset of brain images from serial electron microscopy, LASH dramatically improved segmentation accuracy when clustering supervoxels generated by state of the boundary detection algorithms. The naive strategy of directly training only supervoxel similarities and applying single linkage clustering produced less improvement.

The accurate prediction of molecular energetics in chemical compound space is a crucial ingredient for rational compound design. The inherently graph-like, non-vectorial nature of molecular data gives rise to a unique and difficult machine learning problem. In this paper, we adopt a learning-from-scratch approach where quantum-mechanical molecular energies are predicted directly from the raw molecular geometry. The study suggests a benefit from setting flexible priors and enforcing invariance stochastically rather than structurally. Our results improve the state-of-the-art by a factor of almost three, bringing statistical methods one step closer to the holy grail of ''chemical accuracy''.

Most online algorithms used in machine learning today are based on variants of mirror descent or follow-the-leader. In this paper, we present an online algorithm based on a completely different approach, which combines random playout'' and randomized rounding of loss subgradients. As an application of our approach, we provide the first computationally efficient online algorithm for collaborative filtering with trace-norm constrained matrices. As a second application, we solve an open question linking batch learning and transductive online learning. Papers published at the Neural Information Processing Systems Conference.