Much of this work, however, uses various approximations, which severely restrict the domain of applicability of these implementations.

Rosetta is one of the leading algorithms for protein structure prediction today. It is a Monte Carlo energy minimization method requiring many random restarts to find structures with low energy. In this paper we present a resampling technique for structure prediction of small alpha/beta proteins using Rosetta. From an initial roundof Rosetta sampling, we learn properties of the energy landscape that guide a subsequent round of sampling toward lower-energy structures. Rather than attempt to fit the full energy landscape, we use feature selection methods--both L1-regularized linear regression and decision trees--to identify structural features that give rise to low energy. We then enrich these structural features in the second sampling round. Results are presented across a benchmark set of nine small alpha/beta proteinsdemonstrating that our methods seldom impair, and frequently improve, Rosetta's performance.

Empirical risk minimization offers well-known learning guarantees when training and test data come from the same domain. In the real world, though, we often wish to adapt a classifier from a source domain with a large amount of training data to different target domain with very little training data. In this work we give uniform convergence bounds for algorithms that minimize a convex combination of source and target empirical risk. The bounds explicitly model the inherent trade-off between training on a large but inaccurate source data set and a small but accurate target training set. Our theory also gives results when we have multiple source domains, each of which may have a different number of instances, and we exhibit cases in which minimizing a non-uniform combination of source risks can achieve much lower target error than standard empirical risk minimization.

We introduce supervised latent Dirichlet allocation (sLDA), a statistical model of labelled documents. The model accommodates a variety of response types. We derive a maximum-likelihood procedure for parameter estimation, which relies on variational approximations to handle intractable posterior expectations. Prediction problems motivate this research: we use the fitted model to predict response values for new documents. We test sLDA on two real-world problems: movie ratings predicted from reviews, and web page popularity predicted from text descriptions. We illustrate the benefits of sLDA versus modern regularized regression, as well as versus an unsupervised LDA analysis followed by a separate regression.

Brain-Computer Interfaces can suffer from a large variance of the subject conditions withinand across sessions. For example vigilance fluctuations in the individual, variabletask involvement, workload etc. alter the characteristics of EEG signals and thus challenge a stable BCI operation. In the present work we aim to define features based on a variant of the common spatial patterns (CSP) algorithm that are constructed invariant with respect to such nonstationarities. We enforce invariance properties by adding terms to the denominator of a Rayleigh coefficient representation of CSP such as disturbance covariance matrices from fluctuations in visual processing. In this manner physiological prior knowledge can be used to shape the classification engine for BCI. As a proof of concept we present a BCI classifier that is robust to changes in the level of parietal α-activity. In other words, the EEG decoding still works when there are lapses in vigilance.

We first compare these models on a formal level.

This paper studies boosting algorithms that make a single pass over a set of base classifiers. Wefirst analyze a one-pass algorithm in the setting of boosting with diverse base classifiers. Our guarantee is the same as the best proved for any boosting algorithm, butour one-pass algorithm is much faster than previous approaches. We next exhibit a random source of examples for which a "picky" variant of AdaBoost thatskips poor base classifiers can outperform the standard AdaBoost algorithm, whichuses every base classifier, by an exponential factor. Experiments with Reuters and synthetic data show that one-pass boosting can substantially improveon the accuracy of Naive Bayes, and that picky boosting can sometimes lead to a further improvement in accuracy.

We study the rates of growth of the regret in online convex optimization. First, we show that a simple extension of the algorithm of Hazan et al eliminates the need for a priori knowledge of the lower bound on the second derivatives of the observed functions. We then provide an algorithm, Adaptive Online Gradient Descent, which interpolates between the results of Zinkevich for linear functions and of Hazan et al for strongly convex functions, achieving intermediate rates between T and log T . Furthermore, we show strong optimality of the algorithm. Finally, we provide an extension of our results to general norms.

We present a new analysis for the combination of binary classifiers. We propose a theoretical framework based on the Neyman-Pearson lemma to analyze combinations of classifiers. In particular, we give a method for finding the optimal decision rule for a combination of classifiers and prove that it has the optimal ROC curve. We also show how our method generalizes and improves on previous work on combining classifiers and generating ROC curves.

We present a novel linear clustering framework (Diffrac) which relies on a linear discriminative cost function and a convex relaxation of a combinatorial optimization problem. The large convex optimization problem is solved through a sequence of lower dimensional singular value decompositions. This framework has several attractive properties: (1) although apparently similar to K-means, it exhibits superior clustering performance than K-means, in particular in terms of robustness to noise. (2) It can be readily extended to non linear clustering if the discriminative cost function is based on positive definite kernels, and can then be seen as an alternative to spectral clustering. (3) Prior information on the partition is easily incorporated, leading to state-of-the-art performance for semi-supervised learning, for clustering or classification. We present empirical evaluations of our algorithms on synthetic and real medium-scale datasets.