In many structured prediction problems, complex relationships between variables are compactly defined using graphical structures. The most prevalent graphical prediction methods---probabilistic graphical models and large margin methods---have their own distinct strengths but also possess significant drawbacks. Conditional random fields (CRFs) are Fisher consistent, but they do not permit integration of customized loss metrics into their learning process. Large-margin models, such as structured support vector machines (SSVMs), have the flexibility to incorporate customized loss metrics, but lack Fisher consistency guarantees. We present adversarial graphical models (AGM), a distributionally robust approach for constructing a predictor that performs robustly for a class of data distributions defined using a graphical structure. Our approach enjoys both the flexibility of incorporating customized loss metrics into its design as well as the statistical guarantee of Fisher consistency. We present exact learning and prediction algorithms for AGM with time complexity similar to existing graphical models and show the practical benefits of our approach with experiments.

Sparse Principal Component Analysis (SPCA) and Sparse Linear Regression (SLR) have a wide range of applications and have attracted a tremendous amount of attention in the last two decades as canonical examples of statistical problems in high dimension. A variety of algorithms have been proposed for both SPCA and SLR, but an explicit connection between the two had not been made. We show how to efficiently transform a black-box solver for SLR into an algorithm for SPCA: assuming the SLR solver satisfies prediction error guarantees achieved by existing efficient algorithms such as those based on the Lasso, the SPCA algorithm derived from it achieves near state of the art guarantees for testing and for support recovery for the single spiked covariance model as obtained by the current best polynomial-time algorithms. Our reduction not only highlights the inherent similarity between the two problems, but also, from a practical standpoint, allows one to obtain a collection of algorithms for SPCA directly from known algorithms for SLR. We provide experimental results on simulated data comparing our proposed framework to other algorithms for SPCA.

Many probabilistic models of interest in scientific computing and machine learning have expensive, black-box likelihoods that prevent the application of standard techniques for Bayesian inference, such as MCMC, which would require access to the gradient or a large number of likelihood evaluations. We introduce here a novel sample-efficient inference framework, Variational Bayesian Monte Carlo (VBMC). VBMC combines variational inference with Gaussian-process based, active-sampling Bayesian quadrature, using the latter to efficiently approximate the intractable integral in the variational objective. Our method produces both a nonparametric approximation of the posterior distribution and an approximate lower bound of the model evidence, useful for model selection. We demonstrate VBMC both on several synthetic likelihoods and on a neuronal model with data from real neurons. Across all tested problems and dimensions (up to D = 10), VBMC performs consistently well in reconstructing the posterior and the model evidence with a limited budget of likelihood evaluations, unlike other methods that work only in very low dimensions. Our framework shows great promise as a novel tool for posterior and model inference with expensive, black-box likelihoods.

Sketching and stochastic gradient methods are arguably the most common techniques to derive efficient large scale learning algorithms. In this paper, we investigate their application in the context of nonparametric statistical learning. More precisely, we study the estimator defined by stochastic gradient with mini batches and random features. The latter can be seen as form of nonlinear sketching and used to define approximate kernel methods. The considered estimator is not explicitly penalized/constrained and regularization is implicit. Indeed, our study highlights how different parameters, such as number of features, iterations, step-size and mini-batch size control the learning properties of the solutions. We do this by deriving optimal finite sample bounds, under standard assumptions. The obtained results are corroborated and illustrated by numerical experiments.

Kleinberg (2002) stated three axioms that any clustering procedure should satisfy and showed there is no clustering procedure that simultaneously satisfies all three. One of these, called the consistency axiom, requires that when the data is modified in a helpful way, i.e. if points in the same cluster are made more similar and those in different ones made less similar, the algorithm should output the same clustering. To circumvent this impossibility result, research has focused on considering clustering procedures that have a clustering quality measure (or a cost) and showing that a modification of Kleinberg's axioms that takes cost into account lead to feasible clustering procedures. In this work, we take a different approach, based on the observation that the consistency axiom fails to be satisfied when the "correct" number of clusters changes. We modify this axiom by making use of cost functions to determine the correct number of clusters, and require that consistency holds only if the number of clusters remains unchanged. We show that single linkage satisfies the modified axioms, and if the input is well-clusterable, some popular procedures such as k-means also satisfy the axioms, taking a step towards explaining the success of these objective functions for guiding the design of algorithms.

A machine learning model may exhibit discrimination when used to make decisions involving people. One potential cause for such outcomes is that the model uses a statistical proxy for a protected demographic attribute. In this paper we formulate a definition of proxy use for the setting of linear regression and present algorithms for detecting proxies. Our definition follows recent work on proxies in classification models, and characterizes a model's constituent behavior that: 1) correlates closely with a protected random variable, and 2) is causally influential in the overall behavior of the model. We show that proxies in linear regression models can be efficiently identified by solving a second-order cone program, and further extend this result to account for situations where the use of a certain input variable is justified as a ``business necessity''. Finally, we present empirical results on two law enforcement datasets that exhibit varying degrees of racial disparity in prediction outcomes, demonstrating that proxies shed useful light on the causes of discriminatory behavior in models.

As an incremental-gradient algorithm, the hybrid stochastic gradient descent (HSGD) enjoys merits of both stochastic and full gradient methods for finite-sum minimization problem. However, the existing rate-of-convergence analysis for HSGD is made under with-replacement sampling (WRS) and is restricted to convex problems. It is not clear whether HSGD still carries these advantages under the common practice of without-replacement sampling (WoRS) for non-convex problems. In this paper, we affirmatively answer this open question by showing that under WoRS and for both convex and non-convex problems, it is still possible for HSGD (with constant step-size) to match full gradient descent in rate of convergence, while maintaining comparable sample-size-independent incremental first-order oracle complexity to stochastic gradient descent. For a special class of finite-sum problems with linear prediction models, our convergence results can be further improved in some cases. Extensive numerical results confirm our theoretical affirmation and demonstrate the favorable efficiency of WoRS-based HSGD.

To date, research effort has largely focussed on the development of Bayesian cubature, whose distributional output provides uncertainty quantification for the integral. However, the point estimators associated to Bayesian cubature can be inaccurate and acutely sensitive to the prior when the domain is high-dimensional. To address these drawbacks we introduce Bayes-Sard cubature, a probabilistic framework that combines the flexibility of Bayesian cubature with the robustness of classical cubatures which are well-established. This is achieved by considering a Gaussian process model for the integrand whose mean is a parametric regression model, with an improper prior on each regression coefficient. The features in the regression model consist of test functions which are guaranteed to be exactly integrated, with remaining degrees of freedom afforded to the non-parametric part. The asymptotic convergence of the Bayes-Sard cubature method is established and the theoretical results are numerically verified. In particular, we report two orders of magnitude reduction in error compared to Bayesian cubature in the context of a high-dimensional financial integral.

We propose a population-based Evolutionary Stochastic Gradient Descent (ESGD) framework for optimizing deep neural networks. ESGD combines SGD and gradient-free evolutionary algorithms as complementary algorithms in one framework in which the optimization alternates between the SGD step and evolution step to improve the average fitness of the population. With a back-off strategy in the SGD step and an elitist strategy in the evolution step, it guarantees that the best fitness in the population will never degrade. In addition, individuals in the population optimized with various SGD-based optimizers using distinct hyper-parameters in the SGD step are considered as competing species in a coevolution setting such that the complementarity of the optimizers is also taken into account. The effectiveness of ESGD is demonstrated across multiple applications including speech recognition, image recognition and language modeling, using networks with a variety of deep architectures.

We present a framework to train a structured prediction model by performing smoothing on the inference algorithm it builds upon. Smoothing overcomes the non-smoothness inherent to the maximum margin structured prediction objective, and paves the way for the use of fast primal gradient-based optimization algorithms. We illustrate the proposed framework by developing a novel primal incremental optimization algorithm for the structural support vector machine. The proposed algorithm blends an extrapolation scheme for acceleration and an adaptive smoothing scheme and builds upon the stochastic variance-reduced gradient algorithm. We establish its worst-case global complexity bound and study several practical variants. We present experimental results on two real-world problems, namely named entity recognition and visual object localization. The experimental results show that the proposed framework allows us to build upon efficient inference algorithms to develop large-scale optimization algorithms for structured prediction which can achieve competitive performance on the two real-world problems.