We provide the supplements of "Contextual Gaussian Process Bandits with Neural Networks" here. Specifically, we discuss alternative acquisition functions that can be incorporated with the neural network-accompanied Gaussian process (NN-AGP) model in Section 6. In Section 7, we discuss the bandit algorithm with NN-AGP, where the neural network approximation error is considered. In Section 8, we provide the detailed proof of theorems. We provide the experimental details and include additional numerical experiments in Section 9. Last we discuss the limitations of NN-AGP and propose the potential approaches to addressing the limitations for future work, including sparse NN-AGP for alleviating computational burdens and transfer learning with NN-AGP to address cold-start issue; see Section 10. In the main text, we employ the upper confidence bound function as the acquisition function in the contextual Bayesian optimization approach. Here, we provide two alternative choices: Thompson sampling (TS) and knowledge gradient (KG). We describe the two procedures of the contextual GP bandit problems with NN-AGP, where the acquisition function is replaced by TS or KG. It chooses the action that maximizes the expected reward with respect to a random belief that is drawn for a posterior distribution. Besides the multi-armed bandit problems, TS has also achieved both theoretical and practical success in BO and Gaussian process regression. For more detailed discussions on TS, we refer to [87, 88]. Specifically, we propose a neural network-accompanied Gaussian process Thompson sampling (NNAGP-TS) approach to address contextual GP bandits. The approach works as follows. In each iteration, NN-AGP-TS first fits an NN-AGP model with the historic data. Then, given the current contextual variable, a realization of the Gaussian process with respect to x X is sampled from the posterior distribution conditional on the historic data1.

However, they bring their own set of challenges.

However, they bring their own set of challenges.

Contextual anomaly detection (CAD) aims to identify anomalies in a target (behavioral) variable conditioned on a set of contextual variables that influence the normalcy of the target variable but are not themselves indicators of anomaly. In many anomaly detection tasks, there exist contextual variables that influence the normalcy of the target variable but are not themselves indicators of anomaly. In this work, we propose a novel framework for CAD, normalcy score (NS), that explicitly models both the aleatoric and epistemic uncertainties. Built on heteroscedastic Gaussian process regression, our method regards the Z-score as a random variable, providing confidence intervals that reflect the reliability of the anomaly assessment. Through experiments on benchmark datasets and a real-world application in cardiology, we demonstrate that NS outperforms state-of-the-art CAD methods in both detection accuracy and interpretability. Moreover, confidence intervals enable an adaptive, uncertainty-driven decision-making process, which may be very important in domains such as healthcare.

We study the problem of contextual feature selection, where the goal is to learn a predictive function while identifying subsets of informative features conditioned on specific contexts. Towards this goal, we generalize the recently proposed stochastic gates (STG) Yamada et al. [2020] by modeling the probabilistic gates as conditional Bernoulli variables whose parameters are predicted based on the contextual variables. Our new scheme, termed conditional-STG (c-STG), comprises two networks: a hypernetwork that establishes the mapping between contextual variables and probabilistic feature selection parameters and a prediction network that maps the selected feature to the response variable. Training the two networks simultaneously ensures the comprehensive incorporation of context and feature selection within a unified model. We provide a theoretical analysis to examine several properties of the proposed framework. Importantly, our model leads to improved flexibility and adaptability of feature selection and, therefore, can better capture the nuances and variations in the data. We apply c-STG to simulated and real-world datasets, including healthcare, housing, and neuroscience, and demonstrate that it effectively selects contextually meaningful features, thereby enhancing predictive performance and interpretability.

Contextual Bayesian Optimization (CBO) is a powerful framework for optimizing black-box, expensive-to-evaluate functions with respect to design variables, while simultaneously efficiently integrating relevant contextual information regarding the environment, such as experimental conditions. However, in many practical scenarios, the relevance of contextual variables is not necessarily known beforehand. Moreover, the contextual variables can sometimes be optimized themselves, a setting that current CBO algorithms do not take into account. Optimizing contextual variables may be costly, which raises the question of determining a minimal relevant subset. In this paper, we frame this problem as a cost-aware model selection BO task and address it using a novel method, Sensitivity-Analysis-Driven Contextual BO (SADCBO). We learn the relevance of context variables by sensitivity analysis of the posterior surrogate model at specific input points, whilst minimizing the cost of optimization by leveraging recent developments on early stopping for BO. We empirically evaluate our proposed SADCBO against alternatives on synthetic experiments together with extensive ablation studies, and demonstrate a consistent improvement across examples.

Contextual utility theory integrates context-sensitive factors into utility-based decision-making models. It stresses the importance of understanding individual decision-makers' preferences, values, and beliefs and the situational factors that affect them. Contextual utility theory benefits explainable AI. First, it can improve transparency and understanding of how AI systems affect decision-making. It can reveal AI model biases and limitations by considering personal preferences and context. Second, contextual utility theory can make AI systems more personalized and adaptable to users and stakeholders. AI systems can better meet user needs and values by incorporating demographic and cultural data. Finally, contextual utility theory promotes ethical AI development and social responsibility. AI developers can create ethical systems that benefit society by considering contextual factors like societal norms and values. This work, demonstrates how contextual utility theory can improve AI system transparency, personalization, and ethics, benefiting both users and developers.

Causal Bayesian optimisation (CaBO) combines causality with Bayesian optimisation (BO) and shows that there are situations where the optimal reward is not achievable if causal knowledge is ignored. While CaBO exploits causal relations to determine the set of controllable variables to intervene on, it does not exploit purely observational variables and marginalises them. We show that, in general, utilising a subset of observational variables as a context to choose the values of interventional variables leads to lower cumulative regrets. We propose a general framework of contextual causal Bayesian optimisation that efficiently searches through combinations of controlled and contextual variables, known as policy scopes, and identifies the one yielding the optimum. We highlight the difficulties arising from the application of the causal acquisition function currently used in CaBO to select the policy scope in contextual settings and propose a multi-armed bandits based selection mechanism. We analytically show that well-established methods, such as contextual BO (CoBO) or CaBO, are not able to achieve the optimum in some cases, and empirically show that the proposed method achieves sub-linear regret in various environments and under different configurations.

We study the problem of performance optimization of closed-loop control systems with unmodeled dynamics. Bayesian optimization (BO) has been demonstrated to be effective for improving closed-loop performance by automatically tuning controller gains or reference setpoints in a model-free manner. However, BO methods have rarely been tested on dynamical systems with unmodeled constraints and time-varying ambient conditions. In this paper, we propose a violation-aware contextual BO algorithm (VACBO) that optimizes closed-loop performance while simultaneously learning constraint-feasible solutions under time-varying ambient conditions. Unlike classical constrained BO methods which allow unlimited constraint violations, or 'safe' BO algorithms that are conservative and try to operate with near-zero violations, we allow budgeted constraint violations to improve constraint learning and accelerate optimization. We demonstrate the effectiveness of our proposed VACBO method for energy minimization of industrial vapor compression systems under time-varying ambient temperature and humidity.