Sampling Can Be Faster Than Optimization

Optimization algorithms and Monte Carlo sampling algorithms have provided the computational foundations for the rapid growth in applications of statistical machine learning in recent years. There is, however, limited theoretical understanding of the relationships between these two kinds of methodology, and limited understanding of relative strengths and weaknesses. Moreover, existing results have been obtained primarily in the setting of convex functions (for optimization) and log-concave functions (for sampling). In this setting, where local properties determine global properties, optimization algorithms are unsurprisingly more efficient computationally than sampling algorithms. We instead examine a class of nonconvex objective functions that arise in mixture modeling and multi-stable systems. In this nonconvex setting, we find that the computational complexity of sampling algorithms scales linearly with the model dimension while that of optimization algorithms scales exponentially.

Gen-Oja: A Simple and Efficient Algorithm for Streaming Generalized Eigenvector Computation

In this paper, we study the problems of principal Generalized Eigenvector computation and Canonical Correlation Analysis in the stochastic setting. We propose a simple and efficient algorithm, Gen-Oja, for these problems. We prove the global convergence of our algorithm, borrowing ideas from the theory of fast-mixing Markov chains and two-time-scale stochastic approximation, showing that it achieves the optimal rate of convergence. In the process, we develop tools for understanding stochastic processes with Markovian noise which might be of independent interest.

Understanding the Acceleration Phenomenon via High-Resolution Differential Equations

Gradient-based optimization algorithms can be studied from the perspective of limiting ordinary differential equations (ODEs). Motivated by the fact that existing ODEs do not distinguish between two fundamentally different algorithms---Nesterov's accelerated gradient method for strongly convex functions (NAG-SC) and Polyak's heavy-ball method---we study an alternative limiting process that yields high-resolution ODEs. We show that these ODEs permit a general Lyapunov function framework for the analysis of convergence in both continuous and discrete time. We also show that these ODEs are more accurate surrogates for the underlying algorithms; in particular, they not only distinguish between NAG-SC and Polyak's heavy-ball method, but they allow the identification of a term that we refer to as "gradient correction" that is present in NAG-SC but not in the heavy-ball method and is responsible for the qualitative difference in convergence of the two methods. We also use the high-resolution ODE framework to study Nesterov's accelerated gradient method for (non-strongly) convex functions, uncovering a hitherto unknown result---that NAG-C minimizes the squared gradient norm at an inverse cubic rate. Finally, by modifying the high-resolution ODE of NAG-C, we obtain a family of new optimization methods that are shown to maintain the accelerated convergence rates of NAG-C for smooth convex functions.

Probabilistic Multilevel Clustering via Composite Transportation Distance

We propose a novel probabilistic approach to multilevel clustering problems based on composite transportation distance, which is a variant of transportation distance where the underlying metric is Kullback-Leibler divergence. Our method involves solving a joint optimization problem over spaces of probability measures to simultaneously discover grouping structures within groups and among groups. By exploiting the connection of our method to the problem of finding composite transportation barycenters, we develop fast and efficient optimization algorithms even for potentially large-scale multilevel datasets. Finally, we present experimental results with both synthetic and real data to demonstrate the efficiency and scalability of the proposed approach.

Kernel Feature Selection via Conditional Covariance Minimization

We propose a method for feature selection that employs kernel-based measures of independence to find a subset of covariates that is maximally predictive of the response. Building on past work in kernel dimension reduction, we show how to perform feature selection via a constrained optimization problem involving the trace of the conditional covariance operator. We prove various consistency results for this procedure, and also demonstrate that our method compares favorably with other state-of-the-art algorithms on a variety of synthetic and real data sets.

On the Local Minima of the Empirical Risk

Population risk is always of primary interest in machine learning; however, learning algorithms only have access to the empirical risk. Even for applications with nonconvex nonsmooth losses (such as modern deep networks), the population risk is generally significantly more well-behaved from an optimization point of view than the empirical risk. In particular, sampling can create many spurious local minima. We consider a general framework which aims to optimize a smooth nonconvex function $F$ (population risk) given only access to an approximation $f$ (empirical risk) that is pointwise close to $F$ (i.e., $\|F-f\|_{\infty} \le \nu$). Our objective is to find the $\epsilon$-approximate local minima of the underlying function $F$ while avoiding the shallow local minima---arising because of the tolerance $\nu$---which exist only in $f$. We propose a simple algorithm based on stochastic gradient descent (SGD) on a smoothed version of $f$ that is guaranteed to achieve our goal as long as $\nu \le O(\epsilon^{1.5}/d)$. We also provide an almost matching lower bound showing that our algorithm achieves optimal error tolerance $\nu$ among all algorithms making a polynomial number of queries of $f$. As a concrete example, we show that our results can be directly used to give sample complexities for learning a ReLU unit.

Information Constraints on Auto-Encoding Variational Bayes

Parameterizing the approximate posterior of a generative model with neural networks has become a common theme in recent machine learning research. While providing appealing flexibility, this approach makes it difficult to impose or assess structural constraints such as conditional independence. We propose a framework for learning representations that relies on Auto-Encoding Variational Bayes and whose search space is constrained via kernel-based measures of independence. In particular, our method employs the $d$-variable Hilbert-Schmidt Independence Criterion (dHSIC) to enforce independence between the latent representations and arbitrary nuisance factors. We show how to apply this method to a range of problems, including the problems of learning invariant representations and the learning of interpretable representations. We also present a full-fledged application to single-cell RNA sequencing (scRNA-seq). In this setting the biological signal is mixed in complex ways with sequencing errors and sampling effects. We show that our method out-performs the state-of-the-art in this domain.

Rao-Blackwellized Stochastic Gradients for Discrete Distributions

We wish to compute the gradient of an expectation over a finite or countably infinite sample space having $K \leq \infty$ categories. When $K$ is indeed infinite, or finite but very large, the relevant summation is intractable. Accordingly, various stochastic gradient estimators have been proposed. In this paper, we describe a technique that can be applied to reduce the variance of any such estimator, without changing its bias---in particular, unbiasedness is retained. We show that our technique is an instance of Rao-Blackwellization, and we demonstrate the improvement it yields in empirical studies on both synthetic and real-world data.

CoCoA: A General Framework for Communication-Efficient Distributed Optimization

The scale of modern datasets necessitates the development of efficient distributed optimization methods for machine learning. We present a general-purpose framework for distributed computing environments, CoCoA, that has an efficient communication scheme and is applicable to a wide variety of problems in machine learning and signal processing. We extend the framework to cover general non-strongly-convex regularizers, including L1-regularized problems like lasso, sparse logistic regression, and elastic net regularization, and show how earlier work can be derived as a special case. We provide convergence guarantees for the class of convex regularized loss minimization objectives, leveraging a novel approach in handling non-strongly-convex regularizers and non-smooth loss functions. The resulting framework has markedly improved performance over state-of-the-art methods, as we illustrate with an extensive set of experiments on real distributed datasets.

Singularity, Misspecification, and the Convergence Rate of EM

A line of recent work has characterized the behavior of the EM algorithm in favorable settings in which the population likelihood is locally strongly concave around its maximizing argument. Examples include suitably separated Gaussian mixture models and mixtures of linear regressions. We consider instead over-fitted settings in which the likelihood need not be strongly concave, or, equivalently, when the Fisher information matrix might be singular. In such settings, it is known that a global maximum of the MLE based on $n$ samples can have a non-standard $n^{-1/4}$ rate of convergence. How does the EM algorithm behave in such settings? Focusing on the simple setting of a two-component mixture fit to a multivariate Gaussian distribution, we study the behavior of the EM algorithm both when the mixture weights are different (unbalanced case), and are equal (balanced case). Our analysis reveals a sharp distinction between these cases: in the former, the EM algorithm converges geometrically to a point at Euclidean distance $O((d/n)^{1/2})$ from the true parameter, whereas in the latter case, the convergence rate is exponentially slower, and the fixed point has a much lower $O((d/n)^{1/4})$ accuracy. The slower convergence in the balanced over-fitted case arises from the singularity of the Fisher information matrix. Analysis of this singular case requires the introduction of some novel analysis techniques, in particular we make use of a careful form of localization in the associated empirical process, and develop a recursive argument to progressively sharpen the statistical rate.