Stochastic gradient-based Monte Carlo methods such as stochastic gradient Langevin dynamics are useful tools for posterior inference on large scale datasets in many machine learning applications. These methods scale to large datasets by using noisy gradients calculated using a mini-batch or subset of the dataset. However, the high variance inherent in these noisy gradients degrades performance and leads to slower mixing. In this paper, we present techniques for reducing variance in stochastic gradient Langevin dynamics, yielding novel stochastic Monte Carlo methods that improve performance by reducing the variance in the stochastic gradient. We show that our proposed method has better theoretical guarantees on convergence rate than stochastic Langevin dynamics. This is complemented by impressive empirical results obtained on a variety of real world datasets, and on four different machine learning tasks (regression, classification, independent component analysis and mixture modeling).

Stochastic gradient-based Monte Carlo methods such as stochastic gradient Langevin dynamics are useful tools for posterior inference on large scale datasets in many machine learning applications. These methods scale to large datasets by using noisy gradients calculated using a mini-batch or subset of the dataset. However, the high variance inherent in these noisy gradients degrades performance and leads to slower mixing. In this paper, we present techniques for reducing variance in stochastic gradient Langevin dynamics, yielding novel stochastic Monte Carlo methods that improve performance by reducing the variance in the stochastic gradient. We show that our proposed method has better theoretical guarantees on convergence rate than stochastic Langevin dynamics. This is complemented by impressive empirical results obtained on a variety of real world datasets, and on four different machine learning tasks (regression, classification, independent component analysis and mixture modeling). These theoretical and empirical contributions combine to make a compelling case for using variance reduction in stochastic Monte Carlo methods.

Stochastic Gradient Hamiltonian Monte Carlo (SGHMC) algorithms have received increasing attention in both theory and practice. In this paper, we propose a Stochastic Recursive Variance-Reduced gradient HMC (SRVR-HMC) algorithm. It makes use of a semi-stochastic gradient estimator that recursively accumulates the gradient information to reduce the variance of the stochastic gradient. We provide a convergence analysis of SRVR-HMC for sampling from a class of non-log-concave distributions and show that SRVR-HMC converges faster than all existing HMC-type algorithms based on underdamped Langevin dynamics. Thorough experiments on synthetic and real-world datasets validate our theory and demonstrate the superiority of SRVR-HMC.

We propose a novel adaptive empirical Bayesian (AEB) method for sparse deep learning, where the sparsity is ensured via a class of self-adaptive spike-and-slab priors. The proposed method works by alternatively sampling from an adaptive hierarchical posterior distribution using stochastic gradient Markov Chain Monte Carlo (MCMC) and smoothly optimizing the hyperparameters using stochastic approximation (SA). We further prove the convergence of the proposed method to the asymptotically correct distribution under mild conditions. Empirical applications of the proposed method lead to the state-of-the-art performance on MNIST and Fashion MNIST with shallow convolutional neural networks (CNN) and the state-of-the-art compression performance on CIFAR10 with Residual Networks. The proposed method also improves resistance to adversarial attacks.

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Stochastic gradient Markov chain Monte Carlo (SGMCMC) has become a popular method for scalable Bayesian inference. These methods are based on sampling a discrete-time approximation to a continuous time process, such as the Langevin diffusion. When applied to distributions defined on a constrained space the timediscretization error can dominate when we are near the boundary of the space. We demonstrate that because of this, current SGMCMC methods for the simplex struggle with sparse simplex spaces; when many of the components are close to zero. Unfortunately, many popular large-scale Bayesian models, such as network or topic models, require inference on sparse simplex spaces.

Stochastic Gradient Langevin Dynamics (SGLD) has emerged as a key MCMC algorithm for Bayesian learning from large scale datasets. While SGLD with decreasing step sizes converges weakly to the posterior distribution, the algorithm is often used with a constant step size in practice and has demonstrated successes in machine learning tasks. The current practice is to set the step size inversely proportional to N where N is the number of training samples. As N becomes large, we show that the SGLD algorithm has an invariant probability measure which significantly departs from the target posterior and behaves like Stochastic Gradient Descent (SGD). This difference is inherently due to the high variance of the stochastic gradients. Several strategies have been suggested to reduce this effect; among them, SGLD Fixed Point (SGLDFP) uses carefully designed control variates to reduce the variance of the stochastic gradients. We show that SGLDFP gives approximate samples from the posterior distribution, with an accuracy comparable to the Langevin Monte Carlo (LMC) algorithm for a computational cost sublinear in the number of data points. We provide a detailed analysis of the Wasserstein distances between LMC, SGLD, SGLDFP and SGD and explicit expressions of the means and covariance matrices of their invariant distributions. Our findings are supported by limited numerical experiments.

We propose an adaptively weighted stochastic gradient Langevin dynamics algorithm (SGLD), so-called contour stochastic gradient Langevin dynamics (CSGLD), for Bayesian learning in big data statistics. The proposed algorithm is essentially a scalable dynamic importance sampler, which automatically flattens the target distribution such that the simulation for a multi-modal distribution can be greatly facilitated. Theoretically, we prove a stability condition and establish the asymptotic convergence of the self-adapting parameter to a unique fixed-point, regardless of the non-convexity of the original energy function; we also present an error analysis for the weighted averaging estimators. Empirically, the CSGLD algorithm is tested on multiple benchmark datasets including CIFAR10 and CIFAR100. The numerical results indicate its superiority over the existing state-of-the-art algorithms in training deep neural networks.