Bayesian Optimization (BO) is a sample-efficient optimization algorithm widely employed across various applications. In some challenging BO tasks, input uncertainty arises due to the inevitable randomness in the optimization process, such as machining errors, execution noise, or contextual variability. This uncertainty deviates the input from the intended value before evaluation, resulting in significant performance fluctuations in the final result. In this paper, we introduce a novel robust Bayesian Optimization algorithm, AIRBO, which can effectively identify a robust optimum that performs consistently well under arbitrary input uncertainty. Our method directly models the uncertain inputs of arbitrary distributions by empowering the Gaussian Process with the Maximum Mean Discrepancy (MMD) and further accelerates the posterior inference via Nystrom approximation. Rigorous theoretical regret bound is established under MMD estimation error and extensive experiments on synthetic functions and real problems demonstrate that our approach can handle various input uncertainties and achieve a state-of-the-art performance.

Assumption 2. There exists a positive constant K such that sup Now let us derivative the inference under the introduce of inexact kernel estimations. It remains to estimate the error for estimating the information gain. Now we can prove our main theorem 1. MMD estimator are empirically selected via experiments. SKL-UCB and ERBF-UCB fail to control the ball's ending position under input randomness. Moreover, all the ball's ending positions are well controlled and

In some challenging BO tasks, input uncertainty arises due to the inevitable randomness in the optimization process, such as machining errors, execution noise, or contextual variability.

ML models have errors when used for predictions. The errors are unknown but can be quantified by model uncertainty. When multiple ML models are trained using the same training points, their model uncertainties may be statistically dependent. In reality, model inputs are also random with input uncertainty. The effects of these types of uncertainty must be considered in decision-making and design. This study develops a theoretical framework that generates the joint distribution of multiple ML predictions given the joint distribution of model uncertainties and the joint distribution of model inputs. The strategy is to decouple the coupling between the two types of uncertainty and transform them as independent random variables. The framework lays a foundation for numerical algorithm development for various specific applications.

Ranking and selection (R&S) aims to identify the alternative with the best mean performance among $k$ simulated alternatives. The practical value of R&S depends on accurate simulation input modeling, which often suffers from the curse of input uncertainty due to limited data. Distributionally robust ranking and selection (DRR&S) addresses this challenge by modeling input uncertainty via an ambiguity set of $m > 1$ plausible input distributions, resulting in $km$ scenarios in total. Recent DRR&S studies suggest a key structural insight: additivity in budget allocation is essential for efficiency. However, existing justifications are heuristic, and fundamental properties such as consistency and the precise allocation pattern induced by additivity remain poorly understood. In this paper, we propose a simple additive allocation (AA) procedure that aims to exclusively sample the $k + m - 1$ previously hypothesized critical scenarios. Leveraging boundary-crossing arguments, we establish a lower bound on the probability of correct selection and characterize the procedure's budget allocation behavior. We then prove that AA is consistent and, surprisingly, achieves additivity in the strongest sense: as the total budget increases, only $k + m - 1$ scenarios are sampled infinitely often. Notably, the worst-case scenarios of non-best alternatives may not be among them, challenging prior beliefs about their criticality. These results offer new and counterintuitive insights into the additive structure of DRR&S. To improve practical performance while preserving this structure, we introduce a general additive allocation (GAA) framework that flexibly incorporates sampling rules from traditional R&S procedures in a modular fashion. Numerical experiments support our theoretical findings and demonstrate the competitive performance of the proposed GAA procedures.

In this paper, we propose a general and novel formulation of ranking and selection with the existence of streaming input data. The collection of multiple streams of such data may consume different types of resources, and hence can be conducted simultaneously. To utilize the streaming input data, we aggregate simulation outputs generated under heterogeneous input distributions over time to form a performance estimator. By characterizing the asymptotic behavior of the performance estimators, we formulate two optimization problems to optimally allocate budgets for collecting input data and running simulations. We then develop a multi-stage simultaneous budget allocation procedure and provide its statistical guarantees such as consistency and asymptotic normality. We conduct several numerical studies to demonstrate the competitive performance of the proposed procedure.

We study a ranking and selection (R&S) problem when all solutions share common parametric Bayesian input models updated with the data collected from multiple independent data-generating sources. Our objective is to identify the best system by designing a sequential sampling algorithm that collects input and simulation data given a budget. We adopt the most probable best (MPB) as the estimator of the optimum and show that its posterior probability of optimality converges to one at an exponential rate as the sampling budget increases. Assuming that the input parameters belong to a finite set, we characterize the $\epsilon$-optimal static sampling ratios for input and simulation data that maximize the convergence rate. Using these ratios as guidance, we propose the optimal sampling algorithm for R&S (OSAR) that achieves the $\epsilon$-optimal ratios almost surely in the limit. We further extend OSAR by adopting the kernel ridge regression to improve the simulation output mean prediction. This not only improves OSAR's finite-sample performance, but also lets us tackle the case where the input parameters lie in a continuous space with a strong consistency guarantee for finding the optimum. We numerically demonstrate that OSAR outperforms a state-of-the-art competitor.

Bayesian Optimization (BO) is a sample-efficient optimization algorithm widely employed across various applications. In some challenging BO tasks, input uncertainty arises due to the inevitable randomness in the optimization process, such as machining errors, execution noise, or contextual variability. This uncertainty deviates the input from the intended value before evaluation, resulting in significant performance fluctuations in the final result. In this paper, we introduce a novel robust Bayesian Optimization algorithm, AIRBO, which can effectively identify a robust optimum that performs consistently well under arbitrary input uncertainty. Our method directly models the uncertain inputs of arbitrary distributions by empowering the Gaussian Process with the Maximum Mean Discrepancy (MMD) and further accelerates the posterior inference via Nystrom approximation.