Bayesian Neural Networks (BNNs) place priors over the parameters in a neural network. Inference in BNNs, however, is difficult; all inference methods for BNNs are approximate. In this work, we empirically compare the quality of predictive uncertainty estimates for 10 common inference methods on both regression and classification tasks. Our experiments demonstrate that commonly used metrics (e.g. test log-likelihood) can be misleading. Our experiments also indicate that inference innovations designed to capture structure in the posterior do not necessarily produce high quality posterior approximations.
As a result, much effort has been spent on variational methods. Mean Field Variational Bayes for BNNs were in introduced in @cite_3 , the gradient computation of which was later improved in Bayes by Backprop (BBB) . However, the fully factorized Gaussian variational family used in BBB is unable to capture correlation amongst the parameters in the posterior. In contrast, Matrix Gaussian Posteriors (MVG) @cite_2 , Multiplicative Normalizing Flows (MNF) @cite_8 , and Bayes by Hypernet (BBH) @cite_7 are explicitly designed to capture posterior correlation by imposing structured approximation families; works like Black Box @math -Divergence @cite_1 and Probabilistic Backpropagation (PBP) use a richer family of divergence measures, encouraging approximate posteriors to capture important properties of true posterior distributions.
@cite_7 @cite_8 @cite_1 @cite_3 @cite_2
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Bayesian treatments of learning in neural networks are typically based either on a local Gaussian approximation to a mode of the posterior weight distribution, or on Markov chain Monte Carlo simulations. A third approach, called ensemble learning, was introduced by Hinton and van Camp (1993). It aims to approximate the posterior distribution by minimizing the Kullback-Leibler divergence between the true posterior and a parametric approximating distribution. The original derivation of a deterministic algorithm relied on the use of a Gaussian approximating distribution with a diagonal covariance matrix and hence was unable to capture the posterior correlations between parameters. In this chapter we show how the ensemble learning approach can be extended to full-covariance Gaussian distributions while remaining computationally tractable. We also extend the framework to deal with hyperparameters, leading to a simple re-estimation procedure. One of the benefits of our approach is that it yields a strict lower bound on the marginal likelihood, in contrast to other approximate procedures. The choice of approximate posterior distribution is one of the core problems in variational inference. Most applications of variational inference employ simple families of posterior approximations in order to allow for efficient inference, focusing on mean-field or other simple structured approximations. This restriction has a significant impact on the quality of inferences made using variational methods. We introduce a new approach for specifying flexible, arbitrarily complex and scalable approximate posterior distributions. Our approximations are distributions constructed through a normalizing flow, whereby a simple initial density is transformed into a more complex one by applying a sequence of invertible transformations until a desired level of complexity is attained. We use this view of normalizing flows to develop categories of finite and infinitesimal flows and provide a unified view of approaches for constructing rich posterior approximations. We demonstrate that the theoretical advantages of having posteriors that better match the true posterior, combined with the scalability of amortized variational approaches, provides a clear improvement in performance and applicability of variational inference. Variational methods are widely used for approximate posterior inference. However, their use is typically limited to families of distributions that enjoy particular conjugacy properties. To circumvent this limitation, we propose a family of variational approximations inspired by nonparametric kernel density estimation. The locations of these kernels and their bandwidth are treated as variational parameters and optimized to improve an approximate lower bound on the marginal likelihood of the data. Using multiple kernels allows the approximation to capture multiple modes of the posterior, unlike most other variational approximations. We demonstrate the efficacy of the nonparametric approximation with a hierarchical logistic regression model and a nonlinear matrix factorization model. We obtain predictive performance as good as or better than more specialized variational methods and sample-based approximations. The method is easy to apply to more general graphical models for which standard variational methods are difficult to derive. We introduce a variational Bayesian neural network where the parameters are governed via a probability distribution on random matrices. Specifically, we employ a matrix variate Gaussian (Gupta & Nagar, 1999) parameter posterior distribution where we explicitly model the covariance among the input and output dimensions of each layer. Furthermore, with approximate covariance matrices we can achieve a more efficient way to represent those correlations that is also cheaper than fully factorized parameter posteriors. We further show that with the "local reprarametrization trick" (, 2015) on this posterior distribution we arrive at a Gaussian Process (Rasmussen, 2006) interpretation of the hidden units in each layer and we, similarly with (Gal & Ghahramani, 2015), provide connections with deep Gaussian processes. We continue in taking advantage of this duality and incorporate "pseudo-data" (Snelson & Ghahramani, 2005) in our model, which in turn allows for more efficient posterior sampling while maintaining the properties of the original model. The validity of the proposed approach is verified through extensive experiments. Multilayer Neural Networks (MNNs) are commonly trained using gradient descent-based methods, such as BackPropagation (BP). Inference in probabilistic graphical models is often done using variational Bayes methods, such as Expectation Propagation (EP). We show how an EP based approach can also be used to train deterministic MNNs. Specifically, we approximate the posterior of the weights given the data using a "mean-field" factorized distribution, in an online setting. Using online EP and the central limit theorem we find an analytical approximation to the Bayes update of this posterior, as well as the resulting Bayes estimates of the weights and outputs. Despite a different origin, the resulting algorithm, Expectation BackPropagation (EBP), is very similar to BP in form and efficiency. However, it has several additional advantages: (1) Training is parameter-free, given initial conditions (prior) and the MNN architecture. This is useful for large-scale problems, where parameter tuning is a major challenge. (2) The weights can be restricted to have discrete values. This is especially useful for implementing trained MNNs in precision limited hardware chips, thus improving their speed and energy efficiency by several orders of magnitude. We test the EBP algorithm numerically in eight binary text classification tasks. In all tasks, EBP outperforms: (1) standard BP with the optimal constant learning rate (2) previously reported state of the art. Interestingly, EBP-trained MNNs with binary weights usually perform better than MNNs with continuous (real) weights - if we average the MNN output using the inferred posterior. We present an algorithm that infers the model structure of a mixture of factor analysers using an efficient and deterministic variational approximation to full Bayesian integration over model parameters. This procedure can automatically determine the optimal number of components and the local dimensionality of each component (i.e. the number of factors in each factor analyser). Alternatively it can be used to infer posterior distributions over number of components and dimensionalities. Since all parameters are integrated out the method is not prone to overfitting. Using a stochastic procedure for adding components it is possible to perform the variational optimisation incrementally and to avoid local maxima. Results show that the method works very well in practice and correctly infers the number and dimensionality of nontrivial synthetic examples. By importance sampling from the variational approximation we show how to obtain unbiased estimates of the true evidence, the exact predictive density, and the KL divergence between the variational posterior and the true posterior, not only in this model but for variational approximations in general. ABSTRACTOne of the core problems of modern statistics is to approximate difficult-to-compute probability densities. This problem is especially important in Bayesian statistics, which frames all inference about unknown quantities as a calculation involving the posterior density. In this article, we review variational inference (VI), a method from machine learning that approximates probability densities through optimization. VI has been used in many applications and tends to be faster than classical methods, such as Markov chain Monte Carlo sampling. The idea behind VI is to first posit a family of densities and then to find a member of that family which is close to the target density. Closeness is measured by Kullback–Leibler divergence. We review the ideas behind mean-field variational inference, discuss the special case of VI applied to exponential family models, present a full example with a Bayesian mixture of Gaussians, and derive a variant that uses stochastic optimization to scale up to massive data... Representations offered by deep generative models are fundamentally tied to their inference method from data. Variational inference methods require a rich family of approximating distributions. We construct the variational Gaussian process (VGP), a Bayesian nonparametric model which adapts its shape to match complex posterior distributions. The VGP generates approximate posterior samples by generating latent inputs and warping them through random non-linear mappings; the distribution over random mappings is learned during inference, enabling the transformed outputs to adapt to varying complexity. We prove a universal approximation theorem for the VGP, demonstrating its representative power for learning any model. For inference we present a variational objective inspired by autoencoders and perform black box inference over a wide class of models. The VGP achieves new state-of-the-art results for unsupervised learning, inferring models such as the deep latent Gaussian model and the recently proposed DRAW. The ability to backpropagate stochastic gradients through continuous latent distributions has been crucial to the emergence of variational autoencoders and stochastic gradient variational Bayes. The key ingredient is an unbiased and low-variance way of estimating gradients with respect to distribution parameters from gradients evaluated at distribution samples. The "reparameterization trick" provides a class of transforms yielding such estimators for many continuous distributions, including the Gaussian and other members of the location-scale family. However the trick does not readily extend to mixture density models, due to the difficulty of reparameterizing the discrete distribution over mixture weights. This report describes an alternative transform, applicable to any continuous multivariate distribution with a differentiable density function from which samples can be drawn, and uses it to derive an unbiased estimator for mixture density weight derivatives. Combined with the reparameterization trick applied to the individual mixture components, this estimator makes it straightforward to train variational autoencoders with mixture-distributed latent variables, or to perform stochastic variational inference with a mixture density variational posterior. Variational Bayesian neural networks (BNNs) perform variational inference over weights, but it is difficult to specify meaningful priors and approximate posteriors in a high-dimensional weight space. We introduce functional variational Bayesian neural networks (fBNNs), which maximize an Evidence Lower BOund (ELBO) defined directly on stochastic processes, i.e. distributions over functions. We prove that the KL divergence between stochastic processes equals the supremum of marginal KL divergences over all finite sets of inputs. Based on this, we introduce a practical training objective which approximates the functional ELBO using finite measurement sets and the spectral Stein gradient estimator. With fBNNs, we can specify priors entailing rich structures, including Gaussian processes and implicit stochastic processes. Empirically, we find fBNNs extrapolate well using various structured priors, provide reliable uncertainty estimates, and scale to large datasets. Latent variable time-series models are among the most heavily used tools from machine learning and applied statistics. These models have the advantage of learning latent structure both from noisy observations and from the temporal ordering in the data, where it is assumed that meaningful correlation structure exists across time. A few highly-structured models, such as the linear dynamical system with linear-Gaussian observations, have closed-form inference procedures (e.g. the Kalman Filter), but this case is an exception to the general rule that exact posterior inference in more complex generative models is intractable. Consequently, much work in time-series modeling focuses on approximate inference procedures for one particular class of models. Here, we extend recent developments in stochastic variational inference to develop a black-box' approximate inference technique for latent variable models with latent dynamical structure. We propose a structured Gaussian variational approximate posterior that carries the same intuition as the standard Kalman filter-smoother but, importantly, permits us to use the same inference approach to approximate the posterior of much more general, nonlinear latent variable generative models. We show that our approach recovers accurate estimates in the case of basic models with closed-form posteriors, and more interestingly performs well in comparison to variational approaches that were designed in a bespoke fashion for specific non-conjugate models. Sparse Gaussian process methods that use inducing variables require the selection of the inducing inputs and the kernel hyperparameters. We introduce a variational formulation for sparse approximations that jointly infers the inducing inputs and the kernel hyperparameters by maximizing a lower bound of the true log marginal likelihood. The key property of this formulation is that the inducing inputs are defined to be variational parameters which are selected by minimizing the Kullback-Leibler divergence between the variational distribution and the exact posterior distribution over the latent function values. We apply this technique to regression and we compare it with other approaches in the literature. We provide a general framework for privacy-preserving variational Bayes (VB) for a large class of probabilistic models, called the conjugate exponential (CE) family. Our primary observation is that when models are in the CE family, we can privatise the variational posterior distributions simply by perturbing the expected sufficient statistics of the complete-data likelihood. For widely used non-CE models with binomial likelihoods, we exploit the P 'o lya-Gamma data augmentation scheme to bring such models into the CE family, such that inferences in the modified model resemble the private variational Bayes algorithm as closely as possible. The iterative nature of variational Bayes presents a further challenge since iterations increase the amount of noise needed. We overcome this by combining: (1) a relaxed notion of differential privacy, called concentrated differential privacy, which provides a tight bound on the privacy cost of multiple VB iterations and thus significantly decreases the amount of additive noise; and (2) the privacy amplification effect of subsampling mini-batches from large-scale data in stochastic learning. We empirically demonstrate the effectiveness of our method in CE and non-CE models including latent Dirichlet allocation, Bayesian logistic regression, and sigmoid belief networks, evaluated on real-world datasets. textabstractWe propose a general algorithm for approximating nonstandard Bayesian posterior distributions. The algorithm minimizes the Kullback-Leibler divergence of an approximating distribution to the intractable posterior distribu- tion. Our method can be used to approximate any posterior distribution, provided that it is given in closed form up to the proportionality constant. The approxi- mation can be any distribution in the exponential family or any mixture of such distributions, which means that it can be made arbitrarily precise. Several exam- ples illustrate the speed and accuracy of our approximation method in practice. Stochastic variational inference makes it possible to approximate posterior distributions induced by large datasets quickly using stochastic optimization. The algorithm relies on the use of fully factorized variational distributions. However, this "mean-field" independence approximation limits the fidelity of the posterior approximation, and introduces local optima. We show how to relax the mean-field approximation to allow arbitrary dependencies between global parameters and local hidden variables, producing better parameter estimates by reducing bias, sensitivity to local optima, and sensitivity to hyperparameters. In this paper, I review the main results on the asymptotic properties of the posterior distribution in nonparametric or high-dimensional models. In particular, I explain how posterior concentration rates can be derived and what we learn from such analysis in terms of the impact of the prior distribution on high-dimensional models. These results concern fully Bayes and empirical Bayes procedures. I also describe some of the results that have been obtained recently in semiparametric models, focusing mainly on the Bernstein–von Mises property. Although these results are theoretical in nature, they shed light on some subtle behaviors of the prior models and sharpen our understanding of the family of functionals that can be well estimated for a given prior model. © 2018 by authors.All right reserved. Dropout, a stochastic regularisation technique for training of neural networks, has recently been reinterpreted as a specific type of approximate inference algorithm for Bayesian neural networks. The main contribution of the reinterpretation is in providing a theoretical framework useful for analysing and extending the algorithm. We show that the proposed framework suffers from several issues; from undefined or pathological behaviour of the true posterior related to use of improper priors, to an ill-defined variational objective due to singularity of the approximating distribution relative to the true posterior. Our analysis of the improper log uniform prior used in variational Gaussian dropout suggests the pathologies are generally irredeemable, and that the algorithm still works only because the variational formulation annuls some of the pathologies. To address the singularity issue, we proffer Quasi-KL (QKL) divergence, a new approximate inference objective for approximation of high-dimensional distributions. We show that motivations for variational Bernoulli dropout based on discretisation and noise have QKL as a limit. Properties of QKL are studied both theoretically and on a simple practical example which shows that the QKL-optimal approximation of a full rank Gaussian with a degenerate one naturally leads to the Principal Component Analysis solution. We present SDA-Bayes, a framework for (S)treaming, (D)istributed, (A)synchronous computation of a Bayesian posterior. The framework makes streaming updates to the estimated posterior according to a user-specified approximation batch primitive. We demonstrate the usefulness of our framework, with variational Bayes (VB) as the primitive, by fitting the latent Dirichlet allocation model to two large-scale document collections. We demonstrate the advantages of our algorithm over stochastic variational inference (SVI) by comparing the two after a single pass through a known amount of data---a case where SVI may be applied---and in the streaming setting, where SVI does not apply. The variational approximation of posterior distributions by multivariate gaussians has been much less popular in the machine learning community compared to the corresponding approximation by factorizing distributions. This is for a good reason: the gaussian approximation is in general plagued by an number of variational parameters to be optimized, being the number of random variables. In this letter, we discuss the relationship between the Laplace and the variational approximation, and we show that for models with gaussian priors and factorizing likelihoods, the number of variational parameters is actually . The approach is applied to gaussian process regression with nongaussian likelihoods. The Bayesian framework provides a principled way of model selection. This framework estimates a probability distribution over an ensemble of models, and the prediction is done by averaging over the ensemble of models. Accordingly, the uncertainty of the models is taken into account, and complex models with more degrees of freedom are penalized. However, integration over model parameters is often intractable, and some approximation scheme is needed. Recently, a powerful approximation scheme, called the variational bayes (VB) method, has been proposed. This approach defines the free energy for a trial probability distribution, which approximates a joint posterior probability distribution over model parameters and hidden variables. The exact maximization of the free energy gives the true posterior distribution. The VB method uses factorized trial distributions. The integration over model parameters can be done analytically, and an iterative expectation-maximization-like algorithm, whose convergence is guaranteed, is derived. In this article, we derive an online version of the VB algorithm and prove its convergence by showing that it is a stochastic approximation for finding the maximum of the free energy. By combining sequential model selection procedures, the online VB method provides a fully online learning method with a model selection mechanism. In preliminary experiments using synthetic data, the online VB method was able to adapt the model structure to dynamic environments.