Dropout and other feature noising schemes control overfitting by artificially corrupting the training data. For generalized linear models, dropout performs a form of adaptive regularization. Using this viewpoint, we show that the dropout regularizer is first-order equivalent to an L2 regularizer applied after scaling the features by an estimate of the inverse diagonal Fisher information matrix. We also establish a connection to AdaGrad, an online learning algorithm, and find that a close relative of AdaGrad operates by repeatedly solving linear dropout-regularized problems. By casting dropout as regularization, we develop a natural semi-supervised algorithm that uses unlabeled data to create a better adaptive regularizer. We apply this idea to document classification tasks, and show that it consistently boosts the performance of dropout training, improving on state-of-the-art results on the IMDB reviews dataset.

Perhaps surprisingly, it is possible to predict how long an algorithm will take to run on a previously unseen input, using machine learning techniques to build a model of the algorithm's runtime as a function of problem-specific instance features. Such models have important applications to algorithm analysis, portfolio-based algorithm selection, and the automatic configuration of parameterized algorithms. Over the past decade, a wide variety of techniques have been studied for building such models. Here, we describe extensions and improvements of existing models, new families of models, and -- perhaps most importantly -- a much more thorough treatment of algorithm parameters as model inputs. We also comprehensively describe new and existing features for predicting algorithm runtime for propositional satisfiability (SAT), travelling salesperson (TSP) and mixed integer programming (MIP) problems. We evaluate these innovations through the largest empirical analysis of its kind, comparing to a wide range of runtime modelling techniques from the literature. Our experiments consider 11 algorithms and 35 instance distributions; they also span a very wide range of SAT, MIP, and TSP instances, with the least structured having been generated uniformly at random and the most structured having emerged from real industrial applications. Overall, we demonstrate that our new models yield substantially better runtime predictions than previous approaches in terms of their generalization to new problem instances, to new algorithms from a parameterized space, and to both simultaneously.

Feature extraction and dimensionality reduction are important tasks in many fields of science dealing with signal processing and analysis. The relevance of these techniques is increasing as current sensory devices are developed with ever higher resolution, and problems involving multimodal data sources become more common. A plethora of feature extraction methods are available in the literature collectively grouped under the field of Multivariate Analysis (MVA). This paper provides a uniform treatment of several methods: Principal Component Analysis (PCA), Partial Least Squares (PLS), Canonical Correlation Analysis (CCA) and Orthonormalized PLS (OPLS), as well as their non-linear extensions derived by means of the theory of reproducing kernel Hilbert spaces. We also review their connections to other methods for classification and statistical dependence estimation, and introduce some recent developments to deal with the extreme cases of large-scale and low-sized problems. To illustrate the wide applicability of these methods in both classification and regression problems, we analyze their performance in a benchmark of publicly available data sets, and pay special attention to specific real applications involving audio processing for music genre prediction and hyperspectral satellite images for Earth and climate monitoring.

Given genetic variations and various phenotypical traits, such as Magnetic Resonance Imaging (MRI) features, we consider two important and related tasks in biomedical research: i)to select genetic and phenotypical markers for disease diagnosis and ii) to identify associations between genetic and phenotypical data. These two tasks are tightly coupled because underlying associations between genetic variations and phenotypical features contain the biological basis for a disease. While a variety of sparse models have been applied for disease diagnosis and canonical correlation analysis and its extensions have bee widely used in association studies (e.g., eQTL analysis), these two tasks have been treated separately. To unify these two tasks, we present a new sparse Bayesian approach for joint association study and disease diagnosis. In this approach, common latent features are extracted from different data sources based on sparse projection matrices and used to predict multiple disease severity levels based on Gaussian process ordinal regression; in return, the disease status is used to guide the discovery of relationships between the data sources. The sparse projection matrices not only reveal interactions between data sources but also select groups of biomarkers related to the disease. To learn the model from data, we develop an efficient variational expectation maximization algorithm. Simulation results demonstrate that our approach achieves higher accuracy in both predicting ordinal labels and discovering associations between data sources than alternative methods. We apply our approach to an imaging genetics dataset for the study of Alzheimer's Disease (AD). Our method identifies biologically meaningful relationships between genetic variations, MRI features, and AD status, and achieves significantly higher accuracy for predicting ordinal AD stages than the competing methods.

We consider the prediction of weak effects in a multiple-output regression setup, when covariates are expected to explain a small amount, less than $\approx 1%$, of the variance of the target variables. To facilitate the prediction of the weak effects, we constrain our model structure by introducing a novel Bayesian approach of sharing information between the regression model and the noise model. Further reduction of the effective number of parameters is achieved by introducing an infinite shrinkage prior and group sparsity in the context of the Bayesian reduced rank regression, and using the Bayesian infinite factor model as a flexible low-rank noise model. In our experiments the model incorporating the novelties outperformed alternatives in genomic prediction of rich phenotype data. In particular, the information sharing between the noise and regression models led to significant improvement in prediction accuracy.

We analyze two communication-efficient algorithms for distributed statistical optimization on large-scale data sets. The first algorithm is a standard averaging method that distributes the $N$ data samples evenly to $\nummac$ machines, performs separate minimization on each subset, and then averages the estimates. We provide a sharp analysis of this average mixture algorithm, showing that under a reasonable set of conditions, the combined parameter achieves mean-squared error that decays as $\order(N^{-1}+(N/m)^{-2})$. Whenever $m \le \sqrt{N}$, this guarantee matches the best possible rate achievable by a centralized algorithm having access to all $\totalnumobs$ samples. The second algorithm is a novel method, based on an appropriate form of bootstrap subsampling. Requiring only a single round of communication, it has mean-squared error that decays as $\order(N^{-1} + (N/m)^{-3})$, and so is more robust to the amount of parallelization. In addition, we show that a stochastic gradient-based method attains mean-squared error decaying as $O(N^{-1} + (N/ m)^{-3/2})$, easing computation at the expense of penalties in the rate of convergence. We also provide experimental evaluation of our methods, investigating their performance both on simulated data and on a large-scale regression problem from the internet search domain. In particular, we show that our methods can be used to efficiently solve an advertisement prediction problem from the Chinese SoSo Search Engine, which involves logistic regression with $N \approx 2.4 \times 10^8$ samples and $d \approx 740,000$ covariates.

This article describes a multivariate polynomial regression method where the uncertainty of the input parameters are approximated with Gaussian distributions, derived from the central limit theorem for large weighted sums, directly from the training sample. The estimated uncertainties can be propagated into the optimal fit function, as an alternative to the statistical bootstrap method. This uncertainty can be propagated further into a loss function like quantity, with which it is possible to calculate the expected loss function, and allows to select the optimal polynomial degree with statistical significance. Combined with simple phase space splitting methods, it is possible to model most features of the training data even with low degree polynomials or constants.

We propose a non-parametric regression methodology, Random Forests on Distance Matrices (RFDM), for detecting genetic variants associated to quantitative phenotypes representing the human brain's structure or function, and obtained using neuroimaging techniques. RFDM, which is an extension of decision forests, requires a distance matrix as response that encodes all pair-wise phenotypic distances in the random sample. We discuss ways to learn such distances directly from the data using manifold learning techniques, and how to define such distances when the phenotypes are non-vectorial objects such as brain connectivity networks. We also describe an extension of RFDM to detect espistatic effects while keeping the computational complexity low. Extensive simulation results and an application to an imaging genetics study of Alzheimer's Disease are presented and discussed.

The combination of multiple classifiers using ensemble methods is increasingly important for making progress in a variety of difficult prediction problems. We present a comparative analysis of several ensemble methods through two case studies in genomics, namely the prediction of genetic interactions and protein functions, to demonstrate their efficacy on real-world datasets and draw useful conclusions about their behavior. These methods include simple aggregation, meta-learning, cluster-based meta-learning, and ensemble selection using heterogeneous classifiers trained on resampled data to improve the diversity of their predictions. We present a detailed analysis of these methods across 4 genomics datasets and find the best of these methods offer statistically significant improvements over the state of the art in their respective domains. In addition, we establish a novel connection between ensemble selection and meta-learning, demonstrating how both of these disparate methods establish a balance between ensemble diversity and performance.

Penalized regression is an attractive framework for variable selection problems. Often, variables possess a grouping structure, and the relevant selection problem is that of selecting groups, not individual variables. The group lasso has been proposed as a way of extending the ideas of the lasso to the problem of group selection. Nonconvex penalties such as SCAD and MCP have been proposed and shown to have several advantages over the lasso; these penalties may also be extended to the group selection problem, giving rise to group SCAD and group MCP methods. Here, we describe algorithms for fitting these models stably and efficiently. In addition, we present simulation results and real data examples comparing and contrasting the statistical properties of these methods.