Deep Convolutional Neural Networks (DCNN) has shown excellent performance in a variety of machine learning tasks. This manuscript presents Deep Convolutional Neural Fields (DeepCNF), a combination of DCNN with Conditional Random Field (CRF), for sequence labeling with highly imbalanced label distribution. The widely-used training methods, such as maximum-likelihood and maximum labelwise accuracy, do not work well on highly imbalanced data. To handle this, we present a new training algorithm called maximum-AUC for DeepCNF. That is, we train DeepCNF by directly maximizing the empirical Area Under the ROC Curve (AUC), which is an unbiased measurement for imbalanced data. To fulfill this, we formulate AUC in a pairwise ranking framework, approximate it by a polynomial function and then apply a gradient-based procedure to optimize it. We then test our AUC-maximized DeepCNF on three very different protein sequence labeling tasks: solvent accessibility prediction, 8-state secondary structure prediction, and disorder prediction. Our experimental results confirm that maximum-AUC greatly outperforms the other two training methods on 8-state secondary structure prediction and disorder prediction since their label distributions are highly imbalanced and also have similar performance as the other two training methods on the solvent accessibility prediction problem which has three equally-distributed labels. Furthermore, our experimental results also show that our AUC-trained DeepCNF models greatly outperform existing popular predictors of these three tasks.

Diffusion Maps framework is a kernel based method for manifold learning and data analysis that defines diffusion similarities by imposing a Markovian process on the given dataset. Analysis by this process uncovers the intrinsic geometric structures in the data. Recently, it was suggested to replace the standard kernel by a measure-based kernel that incorporates information about the density of the data. Thus, the manifold assumption is replaced by a more general measure-based assumption. The measure-based diffusion kernel incorporates two separate independent representations. The first determines a measure that correlates with a density that represents normal behaviors and patterns in the data. The second consists of the analyzed multidimensional data points. In this paper, we present a representation framework for data analysis of datasets that is based on a closed-form decomposition of the measure-based kernel. The proposed representation preserves pairwise diffusion distances that does not depend on the data size while being invariant to scale. For a stationary data, no out-of-sample extension is needed for embedding newly arrived data points in the representation space. Several aspects of the presented methodology are demonstrated on analytically generated data.

In clinical and neuroscientific studies, systematic differences between two populations of brain networks are investigated in order to characterize mental diseases or processes. Those networks are usually represented as graphs built from neuroimaging data and studied by means of graph analysis methods. The typical machine learning approach to study these brain graphs creates a classifier and tests its ability to discriminate the two populations. In contrast to this approach, in this work we propose to directly test whether two populations of graphs are different or not, by using the kernel two-sample test (KTST), without creating the intermediate classifier. We claim that, in general, the two approaches provides similar results and that the KTST requires much less computation. Additionally, in the regime of low sample size, we claim that the KTST has lower frequency of Type II error than the classification approach. Besides providing algorithmic considerations to support these claims, we show strong evidence through experiments and one simulation.

We consider the problem of joint estimation of structured inverse covariance matrices. We perform the estimation using groups of measurements with different covariances of the same unknown structure. Assuming the inverse covariances to span a low dimensional linear subspace in the space of symmetric matrices, our aim is to determine this structure. It is then utilized to improve the estimation of the inverse covariances. We propose a novel optimization algorithm discovering and exploiting the underlying structure and provide its efficient implementation. Numerical simulations are presented to illustrate the performance benefits of the proposed algorithm.

We present an extension of sparse Canonical Correlation Analysis (CCA) designed for finding multiple-to- multiple linear correlations within a single set of variables. Unlike CCA, which finds correlations between two sets of data where the rows are matched exactly but the columns represent separate sets of variables, the method proposed here, Canonical Autocorrelation Analysis (CAA), finds multivariate correlations within just one set of variables. This can be useful when we look for hidden parsimonious structures in data, each involving only a small subset of all features. In addition, the discovered correlations are highly interpretable as they are formed by pairs of sparse linear combinations of the original features. We show how CAA can be of use as a tool for anomaly detection when the expected structure of correlations is not followed by anomalous data. We illustrate the utility of CAA in two application domains where single-class and unsupervised learning of correlation structures are particularly relevant: breast cancer diagnosis and radiation threat detection. When applied to the Wisconsin Breast Cancer data, single-class CAA is competitive with supervised methods used in literature. On the radiation threat detection task, unsupervised CAA performs significantly better than an unsupervised alternative prevalent in the domain, while providing valuable additional insights for threat analysis.

A fundamental task in machine learning and related fields is to perform inference on Bayesian networks. Since exact inference takes exponential time in general, a variety of approximate methods are used. Gibbs sampling is one of the most accurate approaches and provides unbiased samples from the posterior but it has historically been too expensive for large models. In this paper, we present an optimized, parallel Gibbs sampler augmented with state replication (SAME or State Augmented Marginal Estimation) to decrease convergence time. We find that SAME can improve the quality of parameter estimates while accelerating convergence. Experiments on both synthetic and real data show that our Gibbs sampler is substantially faster than the state of the art sampler, JAGS, without sacrificing accuracy. Our ultimate objective is to introduce the Gibbs sampler to researchers in many fields to expand their range of feasible inference problems.

Modern machine learning-based recognition approaches require large-scale datasets with large number of labelled training images. However, such datasets are inherently difficult and costly to collect and annotate. Hence there is a great and growing interest in automatic dataset collection methods that can leverage the web. % which are collected % in a cheap, efficient and yet unreliable way. Collecting datasets in this way, however, requires robust and efficient ways for detecting and excluding outliers that are common and prevalent. % Outliers are thus a % prominent treat of using these dataset. So far, there have been a limited effort in machine learning community to directly detect outliers for robust classification. Inspired by the recent work on Pre-conditioned LASSO, this paper formulates the outlier detection task using Pre-conditioned LASSO and employs \red{unsupervised} transductive diffusion component analysis to both integrate the topological structure of the data manifold, from labeled and unlabeled instances, and reduce the feature dimensionality. Synthetic experiments as well as results on two real-world classification tasks show that our framework can robustly detect the outliers and improve classification.

We propose a new input perturbation mechanism for publishing a covariance matrix to achieve $(\epsilon,0)$-differential privacy. Our mechanism uses a Wishart distribution to generate matrix noise. In particular, We apply this mechanism to principal component analysis. Our mechanism is able to keep the positive semi-definiteness of the published covariance matrix. Thus, our approach gives rise to a general publishing framework for input perturbation of a symmetric positive semidefinite matrix. Moreover, compared with the classic Laplace mechanism, our method has better utility guarantee. To the best of our knowledge, Wishart mechanism is the best input perturbation approach for $(\epsilon,0)$-differentially private PCA. We also compare our work with previous exponential mechanism algorithms in the literature and provide near optimal bound while having more flexibility and less computational intractability.

Teaching machines to read natural language documents remains an elusive challenge. Machine reading systems can be tested on their ability to answer questions posed on the contents of documents that they have seen, but until now large scale training and test datasets have been missing for this type of evaluation. In this work we define a new methodology that resolves this bottleneck and provides large scale supervised reading comprehension data. This allows us to develop a class of attention based deep neural networks that learn to read real documents and answer complex questions with minimal prior knowledge of language structure.

Achieving efficient and scalable exploration in complex domains poses a major challenge in reinforcement learning. While Bayesian and PAC-MDP approaches to the exploration problem offer strong formal guarantees, they are often impractical in higher dimensions due to their reliance on enumerating the state-action space. Hence, exploration in complex domains is often performed with simple epsilon-greedy methods. In this paper, we consider the challenging Atari games domain, which requires processing raw pixel inputs and delayed rewards. We evaluate several more sophisticated exploration strategies, including Thompson sampling and Boltzman exploration, and propose a new exploration method based on assigning exploration bonuses from a concurrently learned model of the system dynamics. By parameterizing our learned model with a neural network, we are able to develop a scalable and efficient approach to exploration bonuses that can be applied to tasks with complex, high-dimensional state spaces. In the Atari domain, our method provides the most consistent improvement across a range of games that pose a major challenge for prior methods. In addition to raw game-scores, we also develop an AUC-100 metric for the Atari Learning domain to evaluate the impact of exploration on this benchmark.