The practical use of Bayesian Optimization (BO) in engineering applications imposes special requirements: high sampling efficiency on the one hand and finding a robust solution on the other hand. We address the case of adversarial robustness, where all parameters are controllable during the optimization process, but a subset of them is uncontrollable or even adversely perturbed at the time of application. To this end, we develop an efficient information-based acquisition function that we call Robust Entropy Search (RES). We empirically demonstrate its benefits in experiments on synthetic and real-life data. The results showthat RES reliably finds robust optima, outperforming state-of-the-art algorithms.

Although theoretically compelling, Bayesian learning with modern machine learning models is computationally challenging since it requires approximating a high dimensional posterior distribution. In this work, we (i) introduce posteriors, an easily extensible PyTorch library hosting general-purpose implementations making Bayesian learning accessible and scalable to large data and parameter regimes; (ii) present a tempered framing of stochastic gradient Markov chain Monte Carlo, as implemented in posteriors, that transitions seamlessly into optimization and unveils a minor modification to deep ensembles to ensure they are asymptotically unbiased for the Bayesian posterior, and (iii) demonstrate and compare the utility of Bayesian approximations through experiments including an investigation into the cold posterior effect and applications with large language models.

Networked datasets are often enriched by different types of information about individual nodes or edges. However, most existing methods for analyzing such datasets struggle to handle the complexity of heterogeneous data, often requiring substantial model-specific analysis. In this paper, we develop a probabilistic generative model to perform inference in multilayer networks with arbitrary types of information. Our approach employs a Bayesian framework combined with the Laplace matching technique to ease interpretation of inferred parameters. Furthermore, the algorithmic implementation relies on automatic differentiation, avoiding the need for explicit derivations. This makes our model scalable and flexible to adapt to any combination of input data. We demonstrate the effectiveness of our method in detecting overlapping community structures and performing various prediction tasks on heterogeneous multilayer data, where nodes and edges have different types of attributes. Additionally, we showcase its ability to unveil a variety of patterns in a social support network among villagers in rural India by effectively utilizing all input information in a meaningful way.

A complete and statistically consistent uncertainty quantification for deep learning is provided, including the sources of uncertainty arising from (1) the new input data, (2) the training and testing data (3) the weight vectors of the neural network, and (4) the neural network because it is not a perfect predictor. Using Bayes Theorem and conditional probability densities, we demonstrate how each uncertainty source can be systematically quantified. We also introduce a fast and practical way to incorporate and combine all sources of errors for the first time. For illustration, the new method is applied to quantify errors in cloud autoconversion rates, predicted from an artificial neural network that was trained by aircraft cloud probe measurements in the Azores and the stochastic collection equation formulated as a two-moment bin model. For this specific example, the output uncertainty arising from uncertainty in the training and testing data is dominant, followed by uncertainty in the input data, in the trained neural network, and uncertainty in the weights. We discuss the usefulness of the methodology for machine learning practice, and how, through inclusion of uncertainty in the training data, the new methodology is less sensitive to input data that falls outside of the training data set.

Deep learning offers promising new ways to accurately model aleatoric uncertainty in robotic estimation systems, particularly when the uncertainty distributions do not conform to traditional assumptions of being fixed and Gaussian. In this study, we formulate and evaluate three fundamental deep learning approaches for conditional probability density modeling to quantify non-Gaussian aleatoric uncertainty: parametric, discretized, and generative modeling. We systematically compare the respective strengths and weaknesses of these three methods on simulated non-Gaussian densities as well as on real-world terrain-relative navigation data. Our results show that these deep learning methods can accurately capture complex uncertainty patterns, highlighting their potential for improving the reliability and robustness of estimation systems.

Most previous studies conduct factor analysis within the framework of incident-related label prediction, where the developed models can be categorized into short-term and long-term prediction models. The long-term models offer a more strategic approach, enabling more proactive risk management, compared to the short-term ones. Nevertheless, few studies have devoted to rigorously identifying the key factors for the long-term prediction and undertaking comprehensive factor analysis. Hence, this study aims to delve into the key factors for predicting the incident risk levels in the subsequent year given a specific datestamp. The majority of candidate factors potentially contributing to the incident risk are collected from vessels' historical safety performance data spanning up to five years. An improved embedded feature selection method, which integrates Random Forest classifier with a feature filtering process, is proposed to identify key risk-contributing factors from the candidate pool. A dataset with information of 131,652 vessels collected from 2015 to 2023 is utilized for case study. The results demonstrate superior performances of the proposed method in incident prediction and factor interpretability. Comprehensive analysis is conducted upon the key factors, which could help maritime stakeholders formulate management strategies for incident prevention.

Out-of-distribution (OOD) generalisation is challenging because it involves not only learning from empirical data, but also deciding among various notions of generalisation, e.g., optimising the average-case risk, worst-case risk, or interpolations thereof. While this choice should in principle be made by the model operator like medical doctors, this information might not always be available at training time. The institutional separation between machine learners and model operators leads to arbitrary commitments to specific generalisation strategies by machine learners due to these deployment uncertainties. We introduce the Imprecise Domain Generalisation framework to mitigate this, featuring an imprecise risk optimisation that allows learners to stay imprecise by optimising against a continuous spectrum of generalisation strategies during training, and a model framework that allows operators to specify their generalisation preference at deployment. Supported by both theoretical and empirical evidence, our work showcases the benefits of integrating imprecision into domain generalisation.

In this paper, our goal is to generate synthetic data for heterogeneous (mixed-type) tabular datasets with high machine learning utility (MLu). Given that the MLu performance relies on accurately approximating the conditional distributions, we focus on devising a synthetic data generation method based on conditional distribution estimation. We propose a novel synthetic data generation method, MaCoDE, by redefining the multi-class classification task of Masked Language Modeling (MLM) as histogram-based non-parametric conditional density estimation. Our proposed method enables estimating conditional densities across arbitrary combinations of target and conditional variables. Furthermore, we demonstrate that our proposed method bridges the theoretical gap between distributional learning and MLM. To validate the effectiveness of our proposed model, we conduct synthetic data generation experiments on 10 real-world datasets. Given the analogy between predicting masked input tokens in MLM and missing data imputation, we also evaluate the performance of multiple imputations on incomplete datasets with various missing data mechanisms. Moreover, our proposed model offers the advantage of enabling adjustments to data privacy levels without requiring re-training.

Learning of preference models from human feedback has been central to recent advances in artificial intelligence. Motivated by the cost of obtaining high-quality human annotations, we study the problem of data collection for learning preference models. The key idea in our work is to generalize the optimal design, a method for computing information gathering policies, to ranked lists. To show the generality of our ideas, we study both absolute and relative feedback on the lists. We design efficient algorithms for both settings and analyze them. We prove that our preference model estimators improve with more data and so does the ranking error under the estimators. Finally, we experiment with several synthetic and real-world datasets to show the statistical efficiency of our algorithms.

Species subject to predation and environmental threats commonly exhibit variable periods of population boom and bust over long timescales. Understanding and predicting such behavior, especially given the inherent heterogeneity and stochasticity of exogenous driving factors over short timescales, is an ongoing challenge. A modeling paradigm gaining popularity in the ecological sciences for such multi-scale effects is to couple short-term continuous dynamics to long-term discrete updates. We develop a data-driven method utilizing weak-form equation learning to extract such hybrid governing equations for population dynamics and to estimate the requisite parameters using sparse intermittent measurements of the discrete and continuous variables. The method produces a set of short-term continuous dynamical system equations parametrized by long-term variables, and long-term discrete equations parametrized by short-term variables, allowing direct assessment of interdependencies between the two time scales. We demonstrate the utility of the method on a variety of ecological scenarios and provide extensive tests using models previously derived for epizootics experienced by the North American spongy moth (Lymantria dispar dispar).