This paper introduces the variational implicit processes (VIPs), a Bayesian nonparametric method based on a class of highly flexible priors over functions. Similar to Gaussian processes (GPs), in implicit processes (IPs), an implicit multivariate prior (data simulators, Bayesian neural networks, etc.) is placed over any finite collections of random variables. A novel and efficient variational inference algorithm for IPs is derived using wake-sleep updates, which gives analytic solutions and allows scalable hyper-parameter learning with stochastic optimization. Experiments on real-world regression datasets demonstrate that VIPs return better uncertainty estimates and superior performance over existing inference methods for GPs and Bayesian neural networks. With a Bayesian LSTM as the implicit prior, the proposed approach achieves state-of-the-art results on predicting power conversion efficiency of molecules based on raw chemical formulas.

Randomized value functions offer a promising approach towards the challenge of efficient exploration in complex environments with high dimensional state and action spaces. Unlike traditional point estimate methods, randomized value functions maintain a posterior distribution over action-space values. This prevents the agent's behavior policy from prematurely exploiting early estimates and falling into local optima. In this work, we leverage recent advances in variational Bayesian neural networks and combine these with traditional Deep Q-Networks (DQN) to achieve randomized value functions for high-dimensional domains. In particular, we augment DQN with multiplicative normalizing flows in order to track an approximate posterior distribution over its parameters. This allows the agent to perform approximate Thompson sampling in a computationally efficient manner via stochastic gradient methods. We demonstrate the benefits of our approach through an empirical comparison in high dimensional environments.

We present the very first robust Bayesian Online Changepoint Detection algorithm through General Bayesian Inference (GBI) with $\beta$-divergences. The resulting inference procedure is doubly robust for both the predictive and the changepoint (CP) posterior, with linear time and constant space complexity. We provide a construction for exponential models and demonstrate it on the Bayesian Linear Regression model. In so doing, we make two additional contributions: Firstly, we make GBI scalable using Structural Variational approximations that are exact as $\beta \to 0$. Secondly, we give a principled way of choosing the divergence parameter $\beta$ by minimizing expected predictive loss on-line. We offer the state of the art and improve the False Discovery Rate of CPs by more than 80% on real world data.

This paper investigates the problem of model selection for kmeans clustering, based on conservative estimates of the model degrees of freedom. An extension of Stein's lemma, which is used in unbiased risk estimation, is used to obtain an expression which allows one to approximate the degrees of freedom. Empirically based estimates of this approximation are obtained. The degrees of freedom estimates are then used within the popular Bayesian Information Criterion to perform model selection. The proposed estimation procedure is validated in a thorough simulation study, and the robustness is assessed through relaxations of the modelling assumptions and on data from real applications. Comparisons with popular existing techniques suggest that this approach performs extremely well when the modelling assumptions

Deterministic neural nets have been shown to learn effective predictors on a wide range of machine learning problems. However, as the standard approach is to train the network to minimize a prediction loss, the resultant model remains ignorant to its prediction confidence. Orthogonally to Bayesian neural nets that indirectly infer prediction uncertainty through weight uncertainties, we propose explicit modeling of the same using the theory of subjective logic. By placing a Dirichlet prior on the softmax output, we treat predictions of a neural net as subjective opinions and learn the function that collects the evidence leading to these opinions by a deterministic neural net from data. The resultant predictor for a multi-class classification problem is another Dirichlet distribution whose parameters are set by the continuous output of a neural net. We provide a preliminary analysis on how the peculiarities of our new loss function drive improved uncertainty estimation. We observe that our method achieves unprecedented success on detection of out-of-sample queries and endurance against adversarial perturbations.

We formalize the problem of learning interdomain correspondences in the absence of paired data as Bayesian inference in a latent variable model (LVM), where one seeks the underlying hidden representations of entities from one domain as entities from the other domain. First, we introduce implicit latent variable models, where the prior over hidden representations can be specified flexibly as an implicit distribution. Next, we develop a new variational inference (VI) algorithm for this model based on minimization of the symmetric Kullback-Leibler (KL) divergence between a variational joint and the exact joint distribution. Lastly, we demonstrate that the state-of-the-art cycle-consistent adversarial learning (CYCLEGAN) models can be derived as a special case within our proposed VI framework, thus establishing its connection to approximate Bayesian inference methods.

We provide a conceptual map to navigate causal analysis problems. Focusing on the case of discrete random variables, we consider the case of causal effect estimation from observational data. The presented approaches apply also to continuous variables, but the issue of estimation becomes more complex. We then introduce the four schools of thought for causal analysis

We prove that idealised discriminative Bayesian neural networks, capturing perfect epistemic uncertainty, cannot have adversarial examples: Techniques for crafting adversarial examples will necessarily fail to generate perturbed images which fool the classifier. This suggests why MC dropout-based techniques have been observed to be fairly effective against adversarial examples. We support our claims mathematically and empirically. We experiment with HMC on synthetic data derived from MNIST for which we know the ground truth image density, showing that near-perfect epistemic uncertainty correlates to density under image manifold, and that adversarial images lie off the manifold. Using our new-found insights we suggest a new attack for MC dropout-based models by looking for imperfections in uncertainty estimation, and also suggest a mitigation. Lastly, we demonstrate our mitigation on a cats-vs-dogs image classification task with a VGG13 variant.

The era of'big data' offers enormous opportunities for societal improvements. There is an expectation – and even excitement – that, by simply applying sophisticated machine learning algorithms to'big data' sets, we may automatically find solutions to problems that were previously either unsolvable or would incur prohibitive economic costs. Yet, the clever algorithms needed to process big data cannot (and will never) solve most of the critical risk analysis problems that we face. Big data, even when carefully collected is typically unstructured and noisy; even the'biggest data' typically lack crucial, often hidden, information about key causal or explanatory variables that generate or influence the data we observe. For example, the world's leading economists failed to predict the 2008–2010 international financial crisis because they relied on models based on historical statistical data that could not adapt to new circumstances, even when those circumstances were foreseeable by contrarian experts.

Fitness landscape analysis investigates features with a high influence on the performance of optimization algorithms, aiming to take advantage of the addressed problem characteristics. In this work, a fitness landscape analysis using problem features is performed for a Multi-objective Bayesian Optimization Algorithm (mBOA) on instances of MNK-landscape problem for 2, 3, 5 and 8 objectives. We also compare the results of mBOA with those provided by NSGA-III through the analysis of their estimated runtime necessary to identify an approximation of the Pareto front. Moreover, in order to scrutinize the probabilistic graphic model obtained by mBOA, the Pareto front is examined according to a probabilistic view. The fitness landscape study shows that mBOA is moderately or loosely influenced by some problem features, according to a simple and a multiple linear regression model, which is being proposed to predict the algorithms performance in terms of the estimated runtime. Besides, we conclude that the analysis of the probabilistic graphic model produced at the end of evolution can be useful to understand the convergence and diversity performances of the proposed approach.