Causal phenomena associated with rare events occur across a wide range of engineering problems, such as risk-sensitive safety analysis, accident analysis and prevention, and extreme value theory. However, current methods for causal discovery are often unable to uncover causal links, between random variables in a dynamic setting, that manifest only when the variables first experience low-probability realizations. To address this issue, we introduce a novel statistical independence test on data collected from time-invariant dynamical systems in which rare but consequential events occur. In particular, we exploit the time-invariance of the underlying data to construct a superimposed dataset of the system state before rare events happen at different timesteps. We then design a conditional independence test on the reorganized data. We provide non-asymptotic sample complexity bounds for the consistency of our method, and validate its performance across various simulated and real-world datasets, including incident data collected from the Caltrans Performance Measurement System (PeMS). Code containing the datasets and experiments is publicly available.

Variational inference with Gaussian mixture models (GMMs) enables learning of highly tractable yet multi-modal approximations of intractable target distributions with up to a few hundred dimensions. The two currently most effective methods for GMM-based variational inference, VIPS and iBayes-GMM, both employ independent natural gradient updates for the individual components and their weights. We show for the first time, that their derived updates are equivalent, although their practical implementations and theoretical guarantees differ. We identify several design choices that distinguish both approaches, namely with respect to sample selection, natural gradient estimation, stepsize adaptation, and whether trust regions are enforced or the number of components adapted. We argue that for both approaches, the quality of the learned approximations can heavily suffer from the respective design choices: By updating the individual components using samples from the mixture model, iBayes-GMM often fails to produce meaningful updates to low-weight components, and by using a zero-order method for estimating the natural gradient, VIPS scales badly to higher-dimensional problems. Furthermore, we show that information-geometric trust-regions (used by VIPS) are effective even when using first-order natural gradient estimates, and often outperform the improved Bayesian learning rule (iBLR) update used by iBayes-GMM. We systematically evaluate the effects of design choices and show that a hybrid approach significantly outperforms both prior works. Along with this work, we publish our highly modular and efficient implementation for natural gradient variational inference with Gaussian mixture models, which supports 432 different combinations of design choices, facilitates the reproduction of all our experiments, and may prove valuable for the practitioner.

Uncertainty quantification is crucial for assessing the predictive ability of AI algorithms. Much research has been devoted to describing the predictive distribution (PD) $F(y|\mathbf{x})$ of a target variable $y \in \mathbb{R}$ given complex input features $\mathbf{x} \in \mathcal{X}$. However, off-the-shelf PDs (from, e.g., normalizing flows and Bayesian neural networks) often lack conditional calibration with the probability of occurrence of an event given input $\mathbf{x}$ being significantly different from the predicted probability. Current calibration methods do not fully assess and enforce conditionally calibrated PDs. Here we propose \texttt{Cal-PIT}, a method that addresses both PD diagnostics and recalibration by learning a single probability-probability map from calibration data. The key idea is to regress probability integral transform scores against $\mathbf{x}$. The estimated regression provides interpretable diagnostics of conditional coverage across the feature space. The same regression function morphs the misspecified PD to a re-calibrated PD for all $\mathbf{x}$. We benchmark our corrected prediction bands (a by-product of corrected PDs) against oracle bands and state-of-the-art predictive inference algorithms for synthetic data. We also provide results for two applications: (i) probabilistic nowcasting given sequences of satellite images, and (ii) conditional density estimation of galaxy distances given imaging data (so-called photometric redshift estimation). Our code is available as a Python package https://github.com/lee-group-cmu/Cal-PIT .

PAC-Bayes has recently re-emerged as an effective theory with which one can derive principled learning algorithms with tight performance guarantees. However, applications of PAC-Bayes to bandit problems are relatively rare, which is a great misfortune. Many decision-making problems in healthcare, finance and natural sciences can be modelled as bandit problems. In many of these applications, principled algorithms with strong performance guarantees would be very much appreciated. This survey provides an overview of PAC-Bayes bounds for bandit problems and an experimental comparison of these bounds. On the one hand, we found that PAC-Bayes bounds are a useful tool for designing offline bandit algorithms with performance guarantees. In our experiments, a PAC-Bayesian offline contextual bandit algorithm was able to learn randomised neural network polices with competitive expected reward and non-vacuous performance guarantees. On the other hand, the PAC-Bayesian online bandit algorithms that we tested had loose cumulative regret bounds. We conclude by discussing some topics for future work on PAC-Bayesian bandit algorithms.

There is a significant need for principled uncertainty reasoning in machine learning systems as they are increasingly deployed in safety-critical domains. A new approach with uncertainty-aware regression-based neural networks (NNs), based on learning evidential distributions for aleatoric and epistemic uncertainties, shows promise over traditional deterministic methods and typical Bayesian NNs, notably with the capabilities to disentangle aleatoric and epistemic uncertainties. Despite some empirical success of Deep Evidential Regression (DER), there are important gaps in the mathematical foundation that raise the question of why the proposed technique seemingly works. We detail the theoretical shortcomings and analyze the performance on synthetic and real-world data sets, showing that Deep Evidential Regression is a heuristic rather than an exact uncertainty quantification. We go on to discuss corrections and redefinitions of how aleatoric and epistemic uncertainties should be extracted from NNs.

High spatial resolution wind data are essential for a wide range of applications in climate, oceanographic and meteorological studies. Large-scale spatial interpolation or downscaling of bivariate wind fields having velocity in two dimensions is a challenging task because wind data tend to be non-Gaussian with high spatial variability and heterogeneity. In spatial statistics, cokriging is commonly used for predicting bivariate spatial fields. However, the cokriging predictor is not optimal except for Gaussian processes. Additionally, cokriging is computationally prohibitive for large datasets. In this paper, we propose a method, called bivariate DeepKriging, which is a spatially dependent deep neural network (DNN) with an embedding layer constructed by spatial radial basis functions for bivariate spatial data prediction. We then develop a distribution-free uncertainty quantification method based on bootstrap and ensemble DNN. Our proposed approach outperforms the traditional cokriging predictor with commonly used covariance functions, such as the linear model of co-regionalization and flexible bivariate Mat\'ern covariance. We demonstrate the computational efficiency and scalability of the proposed DNN model, with computations that are, on average, 20 times faster than those of conventional techniques. We apply the bivariate DeepKriging method to the wind data over the Middle East region at 506,771 locations. The prediction performance of the proposed method is superior over the cokriging predictors and dramatically reduces computation time.

Bayesian inference has many advantages in robotic motion planning over four perspectives: The uncertainty quantification of the policy, safety (risk-aware) and optimum guarantees of robot motions, data-efficiency in training of reinforcement learning, and reducing the sim2real gap when the robot is applied to real-world tasks. However, the application of Bayesian inference in robotic motion planning is lagging behind the comprehensive theory of Bayesian inference. Further, there are no comprehensive reviews to summarize the progress of Bayesian inference to give researchers a systematic understanding in robotic motion planning. This paper first provides the probabilistic theories of Bayesian inference which are the preliminary of Bayesian inference for complex cases. Second, the Bayesian estimation is given to estimate the posterior of policies or unknown functions which are used to compute the policy. Third, the classical model-based Bayesian RL and model-free Bayesian RL algorithms for robotic motion planning are summarized, while these algorithms in complex cases are also analyzed. Fourth, the analysis of Bayesian inference in inverse RL is given to infer the reward functions in a data-efficient manner. Fifth, we systematically present the hybridization of Bayesian inference and RL which is a promising direction to improve the convergence of RL for better motion planning. Sixth, given the Bayesian inference, we present the interpretable and safe robotic motion plannings which are the hot research topic recently. Finally, all algorithms reviewed in this paper are summarized analytically as the knowledge graphs, and the future of Bayesian inference for robotic motion planning is also discussed, to pave the way for data-efficient, explainable, and safe robotic motion planning strategies for practical applications.

Previously, we proposed a probabilistic data generation model represented by an unobservable tree and a sequential updating method to calculate a posterior distribution over a set of trees. The set is called a meta-tree. In this paper, we propose a more efficient batch updating method.

We introduce a novel methodology for testing stochastic black-box systems, frequently encountered in embedded systems. Our approach enhances the established black-box checking (BBC) technique to address stochastic behavior. Traditional BBC primarily involves iteratively identifying an input that breaches the system's specifications by executing the following three phases: the learning phase to construct an automaton approximating the black box's behavior, the synthesis phase to identify a candidate counterexample from the learned automaton, and the validation phase to validate the obtained candidate counterexample and the learned automaton against the original black-box system. Our method, ProbBBC, refines the conventional BBC approach by (1) employing an active Markov Decision Process (MDP) learning method during the learning phase, (2) incorporating probabilistic model checking in the synthesis phase, and (3) applying statistical hypothesis testing in the validation phase. ProbBBC uniquely integrates these techniques rather than merely substituting each method in the traditional BBC; for instance, the statistical hypothesis testing and the MDP learning procedure exchange information regarding the black-box system's observation with one another. The experiment results suggest that ProbBBC outperforms an existing method, especially for systems with limited observation.

The theory of three-way decisions (TWD) divides a finite and non-empty universe into three disjoint sets, which are called positive, negative, and boundary regions. These regions respectively induce positive, negative, and boundary rules: a positive rule makes a decision of acceptance, a negative rule makes a decision of rejection, and a boundary rule makes an abstained or non-committed decision [1, 2]. The concept of three-way decisions was originally introduced in Rough Set Theory [1, 3] and until today, it has been widely studied and applied to many decision-making problems (see [4, 5, 6, 7] for some examples). Thus, several approaches have been proposed to generate the three regions; one of them is based on probabilistic rough sets, which generalizes probabilistic rough sets [8, 9] where the three regions are constructed using a pair of thresholds and the notion of conditional probability (in this case, the regions are called probabilistic positive, negative, and boundary regions). The contribution of this article is to provide a linguistic interpretation of the positive, negative, and boundary regions.