In classification applications, we often want probabilistic predictions to reflect confidence or uncertainty. Dropout, a commonly used training technique, has recently been linked to Bayesian inference, yielding an efficient way to quantify uncertainty in neural network models. However, as previously demonstrated, confidence estimates computed with a naive implementation of dropout can be poorly calibrated, particularly when using convolutional networks. In this paper, through the lens of ensemble learning, we associate calibration error with the correlation between the models sampled with dropout. Motivated by this, we explore the use of structured dropout to promote model diversity and improve confidence calibration. We use the SVHN, CIFAR-10 and CIFAR-100 datasets to empirically compare model diversity and confidence errors obtained using various dropout techniques. We also show the merit of structured dropout in a Bayesian active learning application.
As we discuss below, dropout can be thought of as performing approximate Bayesian inference @cite_48 @cite_46 @cite_22 @cite_32 @cite_7 and offer estimates of uncertainty. Many other approximate Bayesian inference techniques have also been proposed for NNs @cite_45 @cite_39 @cite_3 @cite_31 @cite_4 . However, these methods can demand a sophisticated implementation, are often harder to scale, and can suffer from sub-optimal performance @cite_14 . Another popular alternative to approximate the intractable posterior is Markov Chain Monte Carlo (MCMC) @cite_44 . More recently, stochastic gradient versions of MCMC were also proposed to allow scalability @cite_33 @cite_29 @cite_11 @cite_23 . Nevertheless, these methods are often computationally expensive, and sensitive to the choice of hyper-parameters. Lastly, there have been efforts to approximate the posterior with Laplace approximation @cite_2 @cite_28 . A related approach, the SWA-Gaussian @cite_34 is another technique for Gaussian posterior approximation using the Stochastic Weight Averaging (SWA) algorithm @cite_24 .
@cite_22 @cite_29 @cite_3 @cite_44 @cite_2 @cite_4 @cite_48 @cite_39 @cite_23 @cite_46 @cite_7 @cite_28 @cite_32 @cite_34 @cite_14 @cite_33 @cite_24 @cite_45 @cite_31 @cite_11
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Recently, Stochastic Gradient Markov Chain Monte Carlo (SG-MCMC) methods have been proposed for scaling up Monte Carlo computations to large data problems. Whilst these approaches have proven useful in many applications, vanilla SG-MCMC might suffer from poor mixing rates when random variables exhibit strong couplings under the target densities or big scale differences. In this study, we propose a novel SG-MCMC method that takes the local geometry into account by using ideas from Quasi-Newton optimization methods. These second order methods directly approximate the inverse Hessian by using a limited history of samples and their gradients. Our method uses dense approximations of the inverse Hessian while keeping the time and memory complexities linear with the dimension of the problem. We provide a formal theoretical analysis where we show that the proposed method is asymptotically unbiased and consistent with the posterior expectations. We illustrate the effectiveness of the approach on both synthetic and real datasets. Our experiments on two challenging applications show that our method achieves fast convergence rates similar to Riemannian approaches while at the same time having low computational requirements similar to diagonal preconditioning approaches. We investigate a local reparameterizaton technique for greatly reducing the variance of stochastic gradients for variational Bayesian inference (SGVB) of a posterior over model parameters, while retaining parallelizability. This local reparameterization translates uncertainty about global parameters into local noise that is independent across datapoints in the minibatch. Such parameterizations can be trivially parallelized and have variance that is inversely proportional to the mini-batch size, generally leading to much faster convergence. Additionally, we explore a connection with dropout: Gaussian dropout objectives correspond to SGVB with local reparameterization, a scale-invariant prior and proportionally fixed posterior variance. Our method allows inference of more flexibly parameterized posteriors; specifically, we propose variational dropout, a generalization of Gaussian dropout where the dropout rates are learned, often leading to better models. The method is demonstrated through several experiments. Stimulus reconstruction or decoding methods provide an important tool for understanding how sensory and motor information is represented in neural activity. We discuss Bayesian decoding methods based on an encoding generalized linear model (GLM) that accurately describes how stimuli are transformed into the spike trains of a group of neurons. The form of the GLM likelihood ensures that the posterior distribution over the stimuli that caused an observed set of spike trains is log concave so long as the prior is. This allows the maximum a posteriori (MAP) stimulus estimate to be obtained using efficient optimization algorithms. Unfortunately, the MAP estimate can have a relatively large average error when the posterior is highly nongaussian. Here we compare several Markov chain Monte Carlo (MCMC) algorithms that allow for the calculation of general Bayesian estimators involving posterior expectations (conditional on model parameters). An efficient version of the hybrid Monte Carlo (HMC) algorithm was significantly superior to other MCMC methods for gaussian priors. When the prior distribution has sharp edges and corners, on the other hand, the “hit-and-run” algorithm performed better than other MCMC methods. Using these algorithms, we show that for this latter class of priors, the posterior mean estimate can have a considerably lower average error than MAP, whereas for gaussian priors, the two estimators have roughly equal efficiency. We also address the application of MCMC methods for extracting nonmarginal properties of the posterior distribution. For example, by using MCMC to calculate the mutual information between the stimulus and response, we verify the validity of a computationally efficient Laplace approximation to this quantity for gaussian priors in a wide range of model parameters; this makes direct model-based computation of the mutual information tractable even in the case of large observed neural populations, where methods based on binning the spike train fail. Finally, we consider the effect of uncertainty in the GLM parameters on the posterior estimators. Despite having various attractive qualities such as high prediction accuracy and the ability to quantify uncertainty and avoid over-fitting, Bayesian Matrix Factorization has not been widely adopted because of the prohibitive cost of inference. In this paper, we propose a scalable distributed Bayesian matrix factorization algorithm using stochastic gradient MCMC. Our algorithm, based on Distributed Stochastic Gradient Langevin Dynamics, can not only match the prediction accuracy of standard MCMC methods like Gibbs sampling, but at the same time is as fast and simple as stochastic gradient descent. In our experiments, we show that our algorithm can achieve the same level of prediction accuracy as Gibbs sampling an order of magnitude faster. We also show that our method reduces the prediction error as fast as distributed stochastic gradient descent, achieving a 4.1 improvement in RMSE for the Netflix dataset and an 1.8 for the Yahoo music dataset.