Parametric stochastic simulators are ubiquitous in science, often featuring high-dimensional input parameters and/or an intractable likelihood. Performing Bayesian parameter inference in this context can be challenging. We present a neural simulator-based inference algorithm which simultaneously offers simulation efficiency and fast empirical posterior testability, which is unique among modern algorithms. Our approach is simulation efficient by simultaneously estimating low-dimensional marginal posteriors instead of the joint posterior and by proposing simulations targeted to an observation of interest via a prior suitably truncated by an indicator function. Furthermore, by estimating a locally amortized posterior our algorithm enables efficient empirical tests of the robustness of the inference results. Such tests are important for sanity-checking inference in real-world applications, which do not feature a known ground truth. We perform experiments on a marginalized version of the simulation-based inference benchmark and two complex and narrow posteriors, highlighting the simulator efficiency of our algorithm as well as the quality of the estimated marginal posteriors. Implementation on GitHub.

Dependency networks (Heckerman et al., 2000) are potential probabilistic graphical models for systems comprising a large number of variables. Like Bayesian networks, the structure of a dependency network is represented by a directed graph, and each node has a conditional probability table. Learning and inference are realized locally on individual nodes; therefore, computation remains tractable even with a large number of variables. However, the dependency network's learned distribution is the stationary distribution of a Markov chain called pseudo-Gibbs sampling and has no closed-form expressions. This technical disadvantage has impeded the development of dependency networks. In this paper, we consider a certain manifold for each node. Then, we can interpret pseudo-Gibbs sampling as iterative m-projections onto these manifolds. This interpretation provides a theoretical bound for the location where the stationary distribution of pseudo-Gibbs sampling exists in distribution space. Furthermore, this interpretation involves structure and parameter learning algorithms as optimization problems. In addition, we compare dependency and Bayesian networks experimentally. The results demonstrate that the dependency network and the Bayesian network have roughly the same performance in terms of the accuracy of their learned distributions. The results also show that the dependency network can learn much faster than the Bayesian network.

Over the last few decades, various methods have been proposed for estimating prediction intervals in regression settings, including Bayesian methods, ensemble methods, direct interval estimation methods and conformal prediction methods. An important issue is the calibration of these methods: the generated prediction intervals should have a predefined coverage level, without being overly conservative. In this work, we review the above four classes of methods from a conceptual and experimental point of view. Results on benchmark data sets from various domains highlight large fluctuations in performance from one data set to another. These observations can be attributed to the violation of certain assumptions that are inherent to some classes of methods. We illustrate how conformal prediction can be used as a general calibration procedure for methods that deliver poor results without a calibration step.

This paper surveys the area of Trust Metrics related to security for autonomous robotic systems. As the robotics industry undergoes a transformation from programmed, task oriented, systems to Artificial Intelligence-enabled learning, these autonomous systems become vulnerable to several security risks, making a security assessment of these systems of critical importance. Therefore, our focus is on a holistic approach for assessing system trust which requires incorporating system, hardware, software, cognitive robustness, and supplier level trust metrics into a unified model of trust. We set out to determine if there were already trust metrics that defined such a holistic system approach. While there are extensive writings related to various aspects of robotic systems such as, risk management, safety, security assurance and so on, each source only covered subsets of an overall system and did not consistently incorporate the relevant costs in their metrics. This paper attempts to put this prior work into perspective, and to show how it might be extended to develop useful system-level trust metrics for evaluating complex robotic (and other) systems.

In this thesis, we explore and apply methods inspired by the free energy principle to two important areas in machine learning and neuroscience. The free energy principle is a general mathematical theory of the necessary information-theoretic behaviours of systems which maintain a separation from their environment. A core postulate of the theory is that complex systems can be seen as performing variational Bayesian inference and minimizing an information-theoretic quantity called the variational free energy. The free energy principle originated in, and has been extremely influential in theoretical neuroscience, having spawned a number of neurophysiologically realistic process theories, and maintaining close links with Bayesian Brain viewpoints. The thesis is split into three main parts where we apply methods and insights from the free energy principle to understand questions first in perception, then action, and finally learning. Specifically, in the first section, we focus on the theory of predictive coding, a neurobiologically plausible process theory derived from the free energy principle under certain assumptions, which argues that the primary function of the brain is to minimize prediction errors. We focus on scaling up predictive coding architectures and simulate large-scale predictive coding networks for perception on machine learning benchmarks; we investigate predictive coding's relationship to other classical filtering algorithms, and we demonstrate that many biologically implausible aspects of current models of predictive coding can be relaxed without unduly harming the performance of predictive coding models which allows for a potentially more literal translation of predictive coding theory into cortical microcircuits. In the second part of the thesis, we focus on the application of methods deriving from the free energy principle to action. We study the extension of methods of'active inference', a neurobiologically grounded account of action through variational message passing, to utilize deep artificial neural networks, allowing these methods to'scale up' to be competitive with state of the art deep reinforcement learning methods.

Current domain-independent, classical planners require symbolic models of the problem domain and instance as input, resulting in a knowledge acquisition bottleneck. Meanwhile, although deep learning has achieved significant success in many fields, the knowledge is encoded in a subsymbolic representation which is incompatible with symbolic systems such as planners. We propose Latplan, an unsupervised architecture combining deep learning and classical planning. Given only an unlabeled set of image pairs showing a subset of transitions allowed in the environment (training inputs), Latplan learns a complete propositional PDDL action model of the environment. Later, when a pair of images representing the initial and the goal states (planning inputs) is given, Latplan finds a plan to the goal state in a symbolic latent space and returns a visualized plan execution. We evaluate Latplan using image-based versions of 6 planning domains: 8-puzzle, 15-Puzzle, Blocksworld, Sokoban and Two variations of LightsOut.

Machine learning (ML), is the study of computer algorithms, that improve automatically through experience and by the use of data. It is seen as a part of artificial intelligence. Machine learning algorithms, build a model based on sample data, known as "training data", in order to make predictions or decisions without being explicitly programmed to do so. Machine learning algorithms are used in a wide variety of applications, such as in medicine, email filtering, speech recognition, and computer vision, where it is difficult or unfeasible to develop conventional algorithms to perform the needed tasks. In simple words, machine learning is a subset under the broad umbrella of artificial intelligence.

Bayesian variable selection is a powerful tool for data analysis, as it offers a principled method for variable selection that accounts for prior information and uncertainty. However, wider adoption of Bayesian variable selection has been hampered by computational challenges, especially in difficult regimes with a large number of covariates or non-conjugate likelihoods. Generalized linear models for count data, which are prevalent in biology, ecology, economics, and beyond, represent an important special case. Here we introduce an efficient MCMC scheme for variable selection in binomial and negative binomial regression that exploits Tempered Gibbs Sampling (Zanella and Roberts, 2019) and that includes logistic regression as a special case. In experiments we demonstrate the effectiveness of our approach, including on cancer data with seventeen thousand covariates.

The widespread use of machine learning algorithms calls for automatic change detection algorithms to monitor their behavior over time. As a machine learning algorithm learns from a continuous, possibly evolving, stream of data, it is desirable and often critical to supplement it with a companion change detection algorithm to facilitate its monitoring and control. We present a generic score-based change detection method that can detect a change in any number of components of a machine learning model trained via empirical risk minimization. This proposed statistical hypothesis test can be readily implemented for such models designed within a differentiable programming framework. We establish the consistency of the hypothesis test and show how to calibrate it to achieve a prescribed false alarm rate. We illustrate the versatility of the approach on synthetic and real data.

While multifidelity modeling provides a cost-effective way to conduct uncertainty quantification with computationally expensive models, much greater efficiency can be achieved by adaptively deciding the number of required high-fidelity (HF) simulations, depending on the type and complexity of the problem and the desired accuracy in the results. We propose a framework for active learning with multifidelity modeling emphasizing the efficient estimation of rare events. Our framework works by fusing a low-fidelity (LF) prediction with an HF-inferred correction, filtering the corrected LF prediction to decide whether to call the high-fidelity model, and for enhanced subsequent accuracy, adapting the correction for the LF prediction after every HF model call. The framework does not make any assumptions as to the LF model type or its correlations with the HF model. In addition, for improved robustness when estimating smaller failure probabilities, we propose using dynamic active learning functions that decide when to call the HF model. We demonstrate our framework using several academic case studies and two finite element (FE) model case studies: estimating Navier-Stokes velocities using the Stokes approximation and estimating stresses in a transversely isotropic model subjected to displacements via a coarsely meshed isotropic model. Across these case studies, not only did the proposed framework estimate the failure probabilities accurately, but compared with either Monte Carlo or a standard variance reduction method, it also required only a small fraction of the calls to the HF model.