Q-Ensembles are a model-free approach where input images are fed into different Q-networks and exploration is driven by the assumption that uncertainty is proportional to the variance of the output Q-values obtained. They have been shown to perform relatively well compared to other exploration strategies. Further, model-based approaches, such as encoder-decoder models have been used successfully for next frame prediction given previous frames. This paper proposes to integrate the model-free Q-ensembles and model-based approaches with the hope of compounding the benefits of both and achieving superior exploration as a result. Results show that a model-based trajectory memory approach when combined with Q-ensembles produces superior performance when compared to only using Q-ensembles.
Current approaches to quantifying uncertainty have mostly been Bayesian where a prior distribution is specified over the parameters of the Neural Network and then using the training data, the computed posterior distribution over the parameters is used to calculate the uncertainty @cite_21 . Since this form of Bayesian inference is computationally intractable, approaches have ranged from Laplace Approximation @cite_9 , Markov Chain Monte Carlo methods @cite_26 to Variational Bayesian Inference methods @cite_27 @cite_20 @cite_14 . These methods however suffer from issues due to bounds of computational power and over-reliance on the correctness of the prior probability distribution over the parameters. Having priors of convenience can in fact lead to unreasonable uncertainty estimates @cite_23 . In order to overcome these challenges and produce a more robust uncertainty estimate, @cite_6 proposed using an ensemble of Neural Networks trained under a defined scoring rule. This approach when compared to Bayesian approaches is much simpler, has parallelization advantages and achieves state-of-the-art or better performance. State-of-the-art performance before this was achieved by MC-dropout which can also in essence be considered an ensemble approach where the predictions are averaged over an ensemble of Neural Networks with parameter sharing @cite_25 .
@cite_26 @cite_14 @cite_9 @cite_21 @cite_6 @cite_27 @cite_23 @cite_25 @cite_20
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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. 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. Abstract We are interested in the development of surrogate models for uncertainty quantification and propagation in problems governed by stochastic PDEs using a deep convolutional encoder–decoder network in a similar fashion to approaches considered in deep learning for image-to-image regression tasks. Since normal neural networks are data-intensive and cannot provide predictive uncertainty, we propose a Bayesian approach to convolutional neural nets. A recently introduced variational gradient descent algorithm based on Stein's method is scaled to deep convolutional networks to perform approximate Bayesian inference on millions of uncertain network parameters. This approach achieves state of the art performance in terms of predictive accuracy and uncertainty quantification in comparison to other approaches in Bayesian neural networks as well as techniques that include Gaussian processes and ensemble methods even when the training data size is relatively small. To evaluate the performance of this approach, we consider standard uncertainty quantification tasks for flow in heterogeneous media using limited training data consisting of permeability realizations and the corresponding velocity and pressure fields. The performance of the surrogate model developed is very good even though there is no underlying structure shared between the input (permeability) and output (flow pressure) fields as is often the case in the image-to-image regression models used in computer vision problems. Studies are performed with an underlying stochastic input dimensionality up to 4225 where most other uncertainty quantification methods fail. Uncertainty propagation tasks are considered and the predictive output Bayesian statistics are compared to those obtained with Monte Carlo estimates. 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. 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. These lecture notes highlight the mathematical and computational structure relating to the formulation of, and development of algorithms for, the Bayesian approach to inverse problems in differential equations. This approach is fundamental in the quantification of uncertainty within applications in volving the blending of mathematical models with data. The finite dimensional situation is described first, along with some motivational examples. Then the development of probability measures on separable Banach space is undertaken, using a random series over an infinite set of functions to construct draws; these probability measures are used as priors in the Bayesian approach to inverse problems. Regularity of draws from the priors is studied in the natural Sobolev or Besov spaces implied by the choice of functions in the random series construction, and the Kolmogorov continuity theorem is used to extend regularity considerations to the space of Holder continuous functions. Bayes’ theorem is de rived in this prior setting, and here interpreted as finding conditions under which the posterior is absolutely continuous with respect to the prior, and determining a formula for the Radon-Nikodym derivative in terms of the likelihood of the data. Having established the form of the posterior, we then describe various properties common to it in the infinite dimensional setting. These properties include well-posedness, approximation theory, and the existence of maximum a posteriori estimators. We then describe measure-preserving dynamics, again on the infinite dimensional space, including Markov chain-Monte C arlo and sequential Monte Carlo methods, and measure-preserving reversible stochastic differential equations. By formulating the theory and algorithms on the underlying infinite dimensional space, we obtain a framework suitable for rigorous analysis of the accuracy of reconstructions, of computational complexity, as well as naturally constructing algorithms which perform well under mesh refinement, since they are inherently well-defined in infinite dimensions. Multi-layer neural networks have lead to remarkable performance on many kinds of benchmark tasks in text, speech and image processing. Nonlinear parameter estimation in hierarchical models is known to be subject to overfitting and misspecification. One approach to these estimation and related problems (local minima, colinearity, feature discovery etc.) is called Dropout (Hinton, et al 2012, 2016). The Dropout algorithm removes hidden units according to a Bernoulli random variable with probability @math prior to each update, creating random "shocks" to the network that are averaged over updates. In this paper we will show that Dropout is a special case of a more general model published originally in 1990 called the Stochastic Delta Rule, or SDR (Hanson, 1990). SDR redefines each weight in the network as a random variable with mean @math and standard deviation @math . Each weight random variable is sampled on each forward activation, consequently creating an exponential number of potential networks with shared weights. Both parameters are updated according to prediction error, thus resulting in weight noise injections that reflect a local history of prediction error and local model averaging. SDR therefore implements a more sensitive local gradient-dependent simulated annealing per weight converging in the limit to a Bayes optimal network. Tests on standard benchmarks (CIFAR) using a modified version of DenseNet shows the SDR outperforms standard Dropout in test error by approx. @math with DenseNet-BC 250 on CIFAR-100 and approx. @math in smaller networks. We also show that SDR reaches the same accuracy that Dropout attains in 100 epochs in as few as 35 epochs. The Bayesian analysis of neural networks is difficult because a simple prior over weights implies a complex prior distribution over functions. In this paper we investigate the use of Gaussian process priors over functions, which permit the predictive Bayesian analysis for fixed values of hyperparameters to be carried out exactly using matrix operations. Two methods, using optimization and averaging (via Hybrid Monte Carlo) over hyperparameters have been tested on a number of challenging problems and have produced excellent results. In many multivariate domains, we are interested in analyzing the dependency structure of the underlying distribution, e.g., whether two variables are in direct interaction. We can represent dependency structures using Bayesian network models. To analyze a given data set, Bayesian model selection attempts to find the most likely (MAP) model, and uses its structure to answer these questions. However, when the amount of available data is modest, there might be many models that have non-negligible posterior. Thus, we want compute the Bayesian posterior of a feature, i.e., the total posterior probability of all models that contain it. In this paper, we propose a new approach for this task. We first show how to efficiently compute a sum over the exponential number of networks that are consistent with a fixed order over network variables. This allows us to compute, for a given order, both the marginal probability of the data and the posterior of a feature. We then use this result as the basis for an algorithm that approximates the Bayesian posterior of a feature. Our approach uses a Markov Chain Monte Carlo (MCMC) method, but over orders rather than over network structures. The space of orders is smaller and more regular than the space of structures, and has much a smoother posterior “landscape”. We present empirical results on synthetic and real-life datasets that compare our approach to full model averaging (when possible), to MCMC over network structures, and to a non-Bayesian bootstrap approach.