Dynamics-based sampling methods, such as Hybrid Monte Carlo (HMC) and Langevin dynamics (LD), are commonly used to sample target distributions. Recently, such approaches have been combined with stochastic gradient techniques to increase sampling efficiency when dealing with large datasets. An outstanding problem with this approach is that the stochastic gradient introduces an unknown amount of noise which can prevent proper sampling after discretization. To remedy this problem, we show that one can leverage a small number of additional variables to stabilize momentum fluctuations induced by the unknown noise. Our method is inspired by the idea of a thermostat in statistical physics and is justified by a general theory.

Stochastic gradient descent algorithms for training linear and kernel predictors are gaining more and more importance, thanks to their scalability. While various methods have been proposed to speed up their convergence, the model selection phase is often ignored. In fact, in theoretical works most of the time assumptions are made, for example, on the prior knowledge of the norm of the optimal solution, while in the practical world validation methods remain the only viable approach. In this paper, we propose a new kernel-based stochastic gradient descent algorithm that performs model selection while training, with no parameters to tune, nor any form of cross-validation. The algorithm builds on recent advancement in online learning theory for unconstrained settings, to estimate over time the right regularization in a data-dependent way. Optimal rates of convergence are proved under standard smoothness assumptions on the target function as well as preliminary empirical results.

Low rank matrix completion plays a fundamental role in collaborative filtering applications, the key idea being that the variables lie in a smaller subspace than the ambient space. Often, additional information about the variables is known, and it is reasonable to assume that incorporating this information will lead to better predictions. We tackle the problem of matrix completion when pairwise relationships among variables are known, via a graph. We formulate and derive a highly efficient, conjugate gradient based alternating minimization scheme that solves optimizations with over 55 million observations up to 2 orders of magnitude faster than state-of-the-art (stochastic) gradient-descent based methods. On the theoretical front, we show that such methods generalize weighted nuclear norm formulations, and derive statistical consistency guarantees.

Stochastic Gradient Descent (SGD) is a workhorse in machine learning, yet its slow convergence can be a computational bottleneck. Variance reduction techniques such as SAG, SVRG and SAGA have been proposed to overcome this weakness, achieving linear convergence. However, these methods are either based on computations of full gradients at pivot points, or on keeping per data point corrections in memory. Therefore speed-ups relative to SGD may need a minimal number of epochs in order to materialize. This paper investigates algorithms that can exploit neighborhood structure in the training data to share and re-use information about past stochastic gradients across data points, which offers advantages in the transient optimization phase. As a side-product we provide a unified convergence analysis for a family of variance reduction algorithms, which we call memorization algorithms. We provide experimental results supporting our theory.

Deep structured output learning shows great promise in tasks like semantic image segmentation. We proffer a new, efficient deep structured model learning scheme, in which we show how deep Convolutional Neural Networks (CNNs) can be used to directly estimate the messages in message passing inference for structured prediction with Conditional Random Fields (CRFs). With such CNN message estimators, we obviate the need to learn or evaluate potential functions for message calculation. This confers significant efficiency for learning, since otherwise when performing structured learning for a CRF with CNN potentials it is necessary to undertake expensive inference for every stochastic gradient iteration. The network output dimension of message estimators is the same as the number of classes, rather than exponentially growing in the order of the potentials. Hence it is more scalable for cases that involve a large number of classes. We apply our method to semantic image segmentation and achieve impressive performance, which demonstrates the effectiveness and usefulness of our CNN message learning method.

We study optimization algorithms based on variance reduction for stochastic gradient descent (SGD). Remarkable recent progress has been made in this direction through development of algorithms like SAG, SVRG, SAGA. These algorithms have been shown to outperform SGD, both theoretically and empirically. However, asynchronous versions of these algorithms--a crucial requirement for modern large-scale applications--have not been studied.

We show that asymptotically, completely asynchronous stochastic gradient procedures achieve optimal (even to constant factors) convergence rates for the solution of convex optimization problems under nearly the same conditions required for asymptotic optimality of standard stochastic gradient procedures. Roughly, the noise inherent to the stochastic approximation scheme dominates any noise from asynchrony. We also give empirical evidence demonstrating the strong performance of asynchronous, parallel stochastic optimization schemes, demonstrating that the robustness inherent to stochastic approximation problems allows substantially faster parallel and asynchronous solution methods. In short, we show that for many stochastic approximation problems, as Freddie Mercury sings in Queen's Bohemian Rhapsody, "Nothing really matters."

We introduce a generic scheme for accelerating first-order optimization methods in the sense of Nesterov, which builds upon a new analysis of the accelerated proximal point algorithm. Our approach consists of minimizing a convex objective by approximately solving a sequence of well-chosen auxiliary problems, leading to faster convergence. This strategy applies to a large class of algorithms, including gradient descent, block coordinate descent, SAG, SAGA, SDCA, SVRG, Finito/MISO, and their proximal variants. For all of these methods, we provide acceleration and explicit support for non-strongly convex objectives. In addition to theoretical speed-up, we also show that acceleration is useful in practice, especially for ill-conditioned problems where we measure significant improvements.

We analyze the projected Langevin Monte Carlo (LMC) algorithm, a close cousin of projected Stochastic Gradient Descent (SGD). We show that LMC allows to sample in polynomial time from a posterior distribution restricted to a convex body and with concave log-likelihood. This gives the first Markov chain to sample from a log-concave distribution with a first-order oracle, as the existing chains with provable guarantees (lattice walk, ball walk and hit-and-run) require a zerothorder oracle. Our proof uses elementary concepts from stochastic calculus which could be useful more generally to understand SGD and its variants.

Recent advances in Bayesian learning with large-scale data have witnessed emergence of stochastic gradient MCMC algorithms (SG-MCMC), such as stochastic gradient Langevin dynamics (SGLD), stochastic gradient Hamiltonian MCMC (SGHMC), and the stochastic gradient thermostat. While finite-time convergence properties of the SGLD with a 1st-order Euler integrator have recently been studied, corresponding theory for general SG-MCMCs has not been explored. In this paper we consider general SG-MCMCs with high-order integrators, and develop theory to analyze finite-time convergence properties and their asymptotic invariant measures. Our theoretical results show faster convergence rates and more accurate invariant measures for SG-MCMCs with higher-order integrators.