In this paper, we present a Bayesian framework for multilabel classification using compressed sensing. The key idea in compressed sensing for multilabel classification is to first project the label vector to a lower dimensional space using a random transformation and then learn regression functions over these projections. Our approach considers both of these components in a single probabilistic model, thereby jointly optimizing over compression as well as learning tasks. We then derive an efficient variational inference scheme that provides joint posterior distribution over all the unobserved labels. The two key benefits of the model are that a) it can naturally handle datasets that have missing labels and b) it can also measure uncertainty in prediction. The uncertainty estimate provided by the model naturally allows for active learning paradigms where an oracle provides information about labels that promise to be maximally informative for the prediction task. Our experiments show significant boost over prior methods in terms of prediction performance over benchmark datasets, both in the fully labeled and the missing labels case. Finally, we also highlight various useful active learning scenarios that are enabled by the probabilistic model.

We study how to automatically select and adapt multiple abstractions or representations of the world to support model-based reinforcement learning. We address the challenges of transfer learning in heterogeneous environments with varying tasks. We present an efficient, online framework that, through a sequence of tasks, learns a set of relevant representations to be used in future tasks. Without pre-defined mapping strategies, we introduce a general approach to support transfer learning across different state spaces. We demonstrate the potential impact of our system through improved jumpstart and faster convergence to near optimum policy in two benchmark domains.

We propose a novel kernel approach to dimension reduction for supervised learning: feature extraction and variable selection; the former constructs a small number of features from predictors, and the latter finds a subset of predictors. First, a method of linear feature extraction is proposed using the gradient of regression function, based on the recent development of the kernel method. In comparison with other existing methods, the proposed one has wide applicability without strong assumptions on the regressor or type of variables, and uses computationally simple eigendecomposition, thus applicable to large data sets. Second, in combination of a sparse penalty, the method is extended to variable selection, following the approach by Chen et al. (2010). Experimental results show that the proposed methods successfully find effective features and variables without parametric models.

This paper examines the possibility of a `reject option' in the context of least squares regression. It is shown that using rejection it is theoretically possible to learn `selective' regressors that can $\epsilon$-pointwise track the best regressor in hindsight from the same hypothesis class, while rejecting only a bounded portion of the domain. Moreover, the rejected volume vanishes with the training set size, under certain conditions. We then develop efficient and exact implementation of these selective regressors for the case of linear regression. Empirical evaluation over a suite of real-world datasets corroborates the theoretical analysis and indicates that our selective regressors can provide substantial advantage by reducing estimation error.

We propose an approach to multivariate nonparametric regression that generalizes reduced rank regression for linear models. An additive model is estimated for each dimension of a $q$-dimensional response, with a shared $p$-dimensional predictor variable. To control the complexity of the model, we employ a functional form of the Ky-Fan or nuclear norm, resulting in a set of function estimates that have low rank. Backfitting algorithms are derived and justified using a nonparametric form of the nuclear norm subdifferential. Oracle inequalities on excess risk are derived that exhibit the scaling behavior of the procedure in the high dimensional setting. The methods are illustrated on gene expression data.

We study the problem of diverse feature selection in linear regression: selecting a small subset of diverse features that can predict a given objective. Diversity is useful for several reasons such as interpretability, robustness to noise, etc. We propose several spectral regularizers that capture a notion of diversity of features and show that these are all submodular set functions. These regularizers, when added to the objective function for linear regression, result in approximately submodular functions, which can then be maximized approximately by efficient greedy and local search algorithms, with provable guarantees. We compare our algorithms to traditional greedy and $\ell_1$-regularization schemes and show that we obtain a more diverse set of features that result in the regression problem being stable under perturbations.

Alzheimer disease (AD) is a neurodegenerative disorder characterized by progressive impairment of memory and other cognitive functions. Regression analysis has been studied to relate neuroimaging measures to cognitive status. However, whether these measures have further predictive power to infer a trajectory of cognitive performance over time is still an under-explored but important topic in AD research. We propose a novel high-order multi-task learning model to address this issue. The proposed model explores the temporal correlations existing in data features and regression tasks by the structured sparsity-inducing norms. In addition, the sparsity of the model enables the selection of a small number of MRI measures while maintaining high prediction accuracy. The empirical studies, using the baseline MRI and serial cognitive data of the ADNI cohort, have yielded promising results.

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''.

Gaussian Process (GP) regression models typically assume that residuals are Gaussian and have the same variance for all observations. However, applications with input-dependent noise (heteroscedastic residuals) frequently arise in practice, as do applications in which the residuals do not have a Gaussian distribution. In this paper, we propose a GP Regression model with a latent variable that serves as an additional unobserved covariate for the regression. This model (which we call GPLC) allows for heteroscedasticity since it allows the function to have a changing partial derivative with respect to this unobserved covariate. With a suitable covariance function, our GPLC model can handle (a) Gaussian residuals with input-dependent variance, or (b) non-Gaussian residuals with input-dependent variance, or (c) Gaussian residuals with constant variance. We compare our model, using synthetic datasets, with a model proposed by Goldberg, Williams and Bishop (1998), which we refer to as GPLV, which only deals with case (a), as well as a standard GP model which can handle only case (c). Markov Chain Monte Carlo methods are developed for both modelsl. Experiments show that when the data is heteroscedastic, both GPLC and GPLV give better results (smaller mean squared error and negative log-probability density) than standard GP regression. In addition, when the residual are Gaussian, our GPLC model is generally nearly as good as GPLV, while when the residuals are non-Gaussian, our GPLC model is better than GPLV.

This paper is about searching the combinatorial space of contingency tables during the inner loop of a nonlinear statistical optimization. Examples of this operation in various data analytic communities include searching for nonlinear combinations of attributes that contribute significantly to a regression (Statistics), searching for items to include in a decision list (machine learning) and association rule hunting (Data Mining). This paper investigates a new, efficient approach to this class of problems, called RADSEARCH (Real-valued All-Dimensions-tree Search). RADSEARCH finds the global optimum, and this gives us the opportunity to empirically evaluate the question: apart from algorithmic elegance what does this attention to optimality buy us? We compare RADSEARCH with other recent successful search algorithms such as CN2, PRIM, APriori, OPUS and DenseMiner. Finally, we introduce RADREG, a new regression algorithm for learning real-valued outputs based on RADSEARCHing for high-order interactions.