Deep Neural Networks (DNNs) have achieved state-of-the-art accuracy performance in many tasks. However, recent works have pointed out that the outputs provided by these models are not well-calibrated, seriously limiting their use in critical decision scenarios. In this work, we propose to use a decoupled Bayesian stage, implemented with a Bayesian Neural Network (BNN), to map the uncalibrated probabilities provided by a DNN to calibrated ones, consistently improving calibration. Our results evidence that incorporating uncertainty provides more reliable probabilistic models, a critical condition for achieving good calibration. We report a generous collection of experimental results using high-accuracy DNNs in standardized image classification benchmarks, showing the good performance, flexibility and robust behavior of our approach with respect to several state-of-the-art calibration methods. Code for reproducibility is provided.
On the side of BNNs, @cite_18 connect Bernoulli dropout with BNNs, and @cite_29 formalize Gaussian dropout as a Bayesian approach. In @cite_5 , novel BNNs are proposed, using RealNVP @cite_22 to implement a normalizing flow @cite_56 , auxiliary variables and local reparameterization . None of these approaches measure calibration performance explicitly on DNNs, as we do. For instance, @cite_5 and @cite_21 evaluate uncertainty by training on one dataset and use it on another, expecting a maximum entropy output distribution. More recently, @cite_2 propose a scalable inference algorithm that is also asymptotically accurate as MCMC algorithms and @cite_34 propose a deterministic way of computing the ELBO to reduce the variance of the estimator to 0, allowing for faster convergence. They also propose a hierarchical prior on the parameters.
@cite_18 @cite_22 @cite_29 @cite_21 @cite_56 @cite_2 @cite_5 @cite_34
2907176385 2949496227 2589209256 1826234144
As deep neural networks (DNNs) are applied to increasingly challenging problems, they will need to be able to represent their own uncertainty. Modeling uncertainty is one of the key features of Bayesian methods. Using Bernoulli dropout with sampling at prediction time has recently been proposed as an efficient and well performing variational inference method for DNNs. However, sampling from other multiplicative noise based variational distributions has not been investigated in depth. We evaluated Bayesian DNNs trained with Bernoulli or Gaussian multiplicative masking of either the units (dropout) or the weights (dropconnect). We tested the calibration of the probabilistic predictions of Bayesian convolutional neural networks (CNNs) on MNIST and CIFAR-10. Sampling at prediction time increased the calibration of the DNNs' probabalistic predictions. Sampling weights, whether Gaussian or Bernoulli, led to more robust representation of uncertainty compared to sampling of units. However, using either Gaussian or Bernoulli dropout led to increased test set classification accuracy. Based on these findings we used both Bernoulli dropout and Gaussian dropconnect concurrently, which we show approximates the use of a spike-and-slab variational distribution without increasing the number of learned parameters. We found that spike-and-slab sampling had higher test set performance than Gaussian dropconnect and more robustly represented its uncertainty compared to Bernoulli dropout. 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. As deep neural networks (DNNs) are applied to increasingly challenging problems, they will need to be able to represent their own uncertainty. Modelling uncertainty is one of the key features of Bayesian methods. Bayesian DNNs that use dropout-based variational distributions and scale to complex tasks have recently been proposed. We evaluate Bayesian DNNs trained with Bernoulli or Gaussian multiplicative masking of either the units (dropout) or the weights (dropconnect). We compare these Bayesian DNNs ability to represent their uncertainty about their outputs through sampling during inference. We tested the calibration of these Bayesian fully connected and convolutional DNNs on two visual inference tasks (MNIST and CIFAR-10). By adding different levels of Gaussian noise to the test images, we assessed how these DNNs represented their uncertainty about regions of input space not covered by the training set. These Bayesian DNNs represented their own uncertainty more accurately than traditional DNNs with a softmax output. We find that sampling of weights, whether Gaussian or Bernoulli, led to more accurate representation of uncertainty compared to sampling of units. However, sampling units using either Gaussian or Bernoulli dropout led to increased convolutional neural network (CNN) classification accuracy. Based on these findings we use both Bernoulli dropout and Gaussian dropconnect concurrently, which approximates the use of a spike-and-slab variational distribution. We find that networks with spike-and-slab sampling combine the advantages of the other methods: they classify with high accuracy and robustly represent the uncertainty of their classifications for all tested architectures. 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.