Bayesian optimization (BO) is among the most effective and widely-used blackbox optimization methods. BO proposes solutions according to an explore-exploit trade-off criterion encoded in an acquisition function, many of which are computed from the posterior predictive of a probabilistic surrogate model. Prevalent among these is the expected improvement (EI) function. The need to ensure analytical tractability of the predictive often poses limitations that can hinder the efficiency and applicability of BO. In this paper, we cast the computation of EI as a binary classification problem, building on the link between class-probability estimation and density-ratio estimation, and the lesser-known link between density-ratios and EI. By circumventing the tractability constraints, this reformulation provides numerous advantages, not least in terms of expressiveness, versatility, and scalability.

We study the reinforcement learning for finite-horizon episodic Markov decision processes with adversarial reward and full information feedback, where the unknown transition probability function is a linear function of a given feature mapping. We propose an optimistic policy optimization algorithm with Bernstein bonus and show that it can achieve $\tilde{O}(dH\sqrt{T})$ regret, where $H$ is the length of the episode, $T$ is the number of interaction with the MDP and $d$ is the dimension of the feature mapping. Furthermore, we also prove a matching lower bound of $\tilde{\Omega}(dH\sqrt{T})$ up to logarithmic factors. To the best of our knowledge, this is the first computationally efficient, nearly minimax optimal algorithm for adversarial Markov decision processes with linear function approximation.

Inference is a main task in structured prediction and it is naturally modeled with a graph. In the context of Markov random fields, noisy observations corresponding to nodes and edges are usually involved, and the goal of exact inference is to recover the unknown true label for each node precisely. The focus of this paper is on the fundamental limits of exact recovery irrespective of computational efficiency, assuming the generative process proposed by Globerson et al. (2015). We derive the necessary condition for any algorithm and the sufficient condition for maximum likelihood estimation to achieve exact recovery with high probability, and reveal that the sufficient and necessary conditions are tight up to a logarithmic factor for a wide range of graphs. Finally, we show that there exists a gap between the fundamental limits and the performance of the computationally tractable method of Bello and Honorio (2019), which implies the need for further development of algorithms for exact inference.

Active Inference (ActInf) is an emerging theory that explains perception and action in biological agents, in terms of minimizing a free energy bound on Bayesian surprise. Goal-directed behavior is elicited by introducing prior beliefs on the underlying generative model. In contrast to prior beliefs, which constrain all realizations of a random variable, we propose an alternative approach through chance constraints, which allow for a (typically small) probability of constraint violation, and demonstrate how such constraints can be used as intrinsic drivers for goal-directed behavior in ActInf. We illustrate how chance-constrained ActInf weights all imposed (prior) constraints on the generative model, allowing e.g., for a trade-off between robust control and empirical chance constraint violation. Secondly, we interpret the proposed solution within a message passing framework. Interestingly, the message passing interpretation is not only relevant to the context of ActInf, but also provides a general purpose approach that can account for chance constraints on graphical models. The chance constraint message updates can then be readily combined with other pre-derived message update rules, without the need for custom derivations. The proposed chance-constrained message passing framework thus accelerates the search for workable models in general, and can be used to complement message-passing formulations on generative neural models.

Binary classifiers trained on a certain proportion of positive items introduce a bias when applied to data sets with different proportions of positive items. Most solutions for dealing with this issue assume that some information on the latter distribution is known. However, this is not always the case, certainly when this proportion is the target variable. In this paper a maximum likelihood estimator for the true proportion of positives in data sets is suggested and tested on synthetic and real world data.

Epistemic uncertainty is the part of out-of-sample prediction error due to the lack of knowledge of the learner. Whereas previous work was focusing on model variance, we propose a principled approach for directly estimating epistemic uncertainty by learning to predict generalization error and subtracting an estimate of aleatoric uncertainty, i.e., intrinsic unpredictability. This estimator of epistemic uncertainty includes the effect of model bias and can be applied in non-stationary learning environments arising in active learning or reinforcement learning. In addition to demonstrating these properties of Direct Epistemic Uncertainty Prediction (DEUP), we illustrate its advantage against existing methods for uncertainty estimation on downstream tasks including sequential model optimization and reinforcement learning. We also evaluate the quality of uncertainty estimates from DEUP for probabilistic classification of images and for estimating uncertainty about synergistic drug combinations.

Abstract--Shared mental models are critical to team success; however, in practice, team members may have misaligned models due to a variety of factors. In safety-critical domains (e.g., aviation, healthcare), lack of shared mental models can lead to preventable errors and harm. Towards the goal of mitigating such preventable errors, here, we present a Bayesian approach to infer misalignment in team members' mental models during complex healthcare task execution. As an exemplary application, we demonstrate our approach using two simulated team-based scenarios, derived from actual teamwork in cardiac surgery. In these simulated experiments, our approach inferred model misalignment with over 75% recall, thereby providing a building block for enabling computer-assisted interventions to augment human cognition in the operating room and improve teamwork.

We propose a lower bound on the log marginal likelihood of Gaussian process regression models that can be computed without matrix factorisation of the full kernel matrix. We show that approximate maximum likelihood learning of model parameters by maximising our lower bound retains many of the sparse variational approach benefits while reducing the bias introduced into parameter learning. The basis of our bound is a more careful analysis of the log-determinant term appearing in the log marginal likelihood, as well as using the method of conjugate gradients to derive tight lower bounds on the term involving a quadratic form. Our approach is a step forward in unifying methods relying on lower bound maximisation (e.g. variational methods) and iterative approaches based on conjugate gradients for training Gaussian processes. In experiments, we show improved predictive performance with our model for a comparable amount of training time compared to other conjugate gradient based approaches.

This paper describes the design and development of a prototype technique for artificial intelligence based on the fusion of genetic algorithm, neural network and fuzzy logic. It starts by establishing a relationship between the neural network and fuzzy logic. Then, it combines the genetic algorithm with them. Information fusions are at the confidence level, where matching scores can be reported and discussed. The technique is called the Genetic Neuro-Fuzzy (GNF). It can be used for high accuracy real-time environments.

Multi-label classification (MLC) has recently received increasing interest from the machine learning community. Several studies provide reviews of methods and datasets for MLC and a few provide empirical comparisons of MLC methods. However, they are limited in the number of methods and datasets considered. This work provides a comprehensive empirical study of a wide range of MLC methods on a plethora of datasets from various domains. More specifically, our study evaluates 26 methods on 42 benchmark datasets using 20 evaluation measures. The adopted evaluation methodology adheres to the highest literature standards for designing and executing large scale, time-budgeted experimental studies. First, the methods are selected based on their usage by the community, assuring representation of methods across the MLC taxonomy of methods and different base learners. Second, the datasets cover a wide range of complexity and domains of application. The selected evaluation measures assess the predictive performance and the efficiency of the methods. The results of the analysis identify RFPCT, RFDTBR, ECCJ48, EBRJ48 and AdaBoostMH as best performing methods across the spectrum of performance measures. Whenever a new method is introduced, it should be compared to different subsets of MLC methods, determined on the basis of the different evaluation criteria.