Gaussian Process Bandits

Bayesian optimization (BO) is widely used for expensive black-box optimization, yet observation noise makes each evaluation less informative and slows posterior learning. Standard BO learns from costly outcomes gathered during optimization. In many applications, however, low-cost auxiliary data are available beforehand. We introduce Auxiliary-Informed Gaussian Process Bandit (AI-GPB), a variance-reduction method that combines an offline estimate of the auxiliary mean with a correction coefficient learned from paired online observations. Notably, it exploits correlation between paired observation errors without requiring the auxiliary mean to approximate the objective. We establish finite-sample GP confidence bounds and regret guarantees, including explicit cumulative and simple regret rates for Matérn kernels. Numerical experiments across continuous BO benchmarks with varied landscapes and dimensions show consistent reductions in cumulative and simple regret relative to vanilla GP-UCB, even when within-pair correlation is moderate and the auxiliary mean is estimated from noisy offline data.

We study fixed-budget adaptive experimentation aimed at maximizing the probability of obtaining sufficient posterior evidence that a recommended design's mean performance exceeds a target. Unlike best-arm identification, this objective does not require finding the best design. For Gaussian bandits with a Gaussian prior, we propose Halve-Then-Greedy (HTG), which combines a large initial balanced allocation, successive halving, and posterior-greedy sampling. We prove instance-dependent, finite-budget exponential bounds on posterior-failure probability that capture both separation from unfavorable arms and the presence of multiple favorable arms. On one-positive-arm families, we establish an asymptotic sample-complexity lower bound that HTG matches up to a logarithmic factor. We further analyze uniform sampling and sequential halving, revealing regimes where they require more samples than HTG by linear and logarithmic factors, respectively. Simulations illustrate HTG's sample-efficiency advantages and their dependence on instance structure.

Gaussian process bandits exploit similarities among configurations to optimize prompts, retrieval systems, and agent workflows. In these applications, however, inexpensive model-based evaluations can disagree with trusted task outcomes. We study selective verification when an action is chosen before a diagnostic is observed and trusted feedback is informative on an unknown set of diagnostic states. A finite reliability class and a finite RKHS signal dictionary describe these two sources of uncertainty. We construct a fixed audit design that combines reliability coverage with reward separation and establish a finite-time regret bound that accounts for a hard audit budget and the rounds needed to obtain informative observations. A safe adaptive extension mixes this robust design with predictable Chernoff allocations while preserving a uniform identification floor and exact expected acquisition-cost accounting. For signed-coordinate kernels, structured and diffuse reliability classes require different audit scales despite sharing the same reward geometry. Synthetic experiments distinguish these certified designs from an adaptive posterior heuristic and GP controls. Safe adaptive allocation reduces aggregate regret relative to the fixed design under the exact dictionary, but its finite-budget error certificate is numerically loose. Conditional-feedback errors can remove the heuristic's advantage and target perturbations can reverse it. Separate AI-task replays assess feedback correction and fitted-dictionary policies without establishing end-to-end validation of a learned selective-verification method.

Existing cumulative regret guarantees for Bayesian optimization (BO) do not necessarily characterize the quality of the algorithm's final output. This gap is critical under noisy evaluations, where the goal is to return a single high-quality recommendation. To address it, we introduce efficient exploration strategies that can be incorporated into any BO procedure by occasionally replacing the acquisition query with an exploration query. To validate this approach, we bound the Gaussian process posterior standard deviation over the search space via the fill distance of the queries, which measures the largest region left unexplored. We then use this result to derive upper bounds on the inference regret, i.e., the gap between the global optimum and the function value at the algorithm's returned point. Empirically, these exploration strategies improve the final recommendations of existing BO algorithms on synthetic benchmarks, hyperparameter optimization, and a control task.

Adaptive arm selection changes the distribution of the observations collected by a bandit algorithm, but it need not change their limiting empirical spectrum. We study Gaussian bandit designs in which the dimension and the number of observations grow proportionally. A quantitative coupling theorem compares the design generated by any causal selection rule with an independent Gaussian design. If the logarithm of the number of available arms is sublinear in the dimension, the empirical spectral distribution converges to the Marchenko-Pastur law, uniformly over the selection rule. Consequently, Gaussian Bayesian bandits have policy-independent first-order limits for posterior mean-square uncertainty, squared posterior covariance, and information acquisition. For linear-score selection, we obtain the exact conditional arm distribution and show that two-arm selection produces an exactly Wishart Gram matrix in every dimension, despite its nonzero conditional mean. For a fixed selection direction, we identify an explicit eigenvalue and eigenvector transition governed by the second moment of a Gaussian maximum. A counterexample shows that a direction's overlap with a reference signal does not determine this transition. Finally, an exponentially large arm pool permits a different bulk limit, establishing the order-sharpness of the arm-growth condition. These results distinguish global spectral stability from directional effects in adaptive bandit data.

We study Bayesian optimization in a time-varying environment where the unknown reward function evolves according to a Gaussian process drift model. Existing GP-UCB analyses in this setting typically require the exploration parameter to grow with the horizon to maintain uniform confidence bounds. Using per-round local confidence events, we show that GP-UCB can instead be run with a constant exploration parameter and obtain an expected-regret bound whose coefficient depends on the drift rate. We also derive a sharper time-varying maximum-information-gain bound. For the squared exponential kernel, it yields $\tildeγ_T/T=\widetilde{\mathcal O}(ε^{1/2})$ and expected average regret $\widetilde{\mathcal O}(ε^{1/4})$ in the persistent-drift regime. The same constant-exploration analysis also yields realized-regret guarantees. Simulations support the predicted logarithmic dependence of the bound-suggested exploration parameter on $1/ε$.

This paper studies the regret analysis for parallel Gaussian process (GP) bandit optimization. The known regret upper bounds for the widely used GP batched upper confidence bound and GP batched Thompson sampling (GP-BTS) suffer from a multiplicative factor with respect to the batch size $Q$. To avoid this degradation, existing analyses require a polynomial number of uncertainty sampling (US) for $Q$ at the beginning of optimization. However, this initial US phase is often ineffective in practice. This paper shows that the regret upper bound without the multiplicative factor on $Q$ can be achieved without the initial US phase, using GP-BTS as an example. Furthermore, we show much better regret upper bounds in the noiseless setting than in the noisy setting, as in the sequential GP bandit setting.

We introduce Bellman-sufficient information complexity for minimax analysis of sequential decision problems. A Bellman-sufficient state retains enough of the history to close the controlled recursion, while an index $Y=χ(Ω)$ specifies the decision-relevant information being charged. The upper bound is a log-penalized Bellman program; the lower bound is a Bellman--Fano comparison along an algorithm-dependent reference trajectory. If the two values match at a common localization scale and the stated admissibility, calibration, and growth conditions hold, they form an information-risk sandwich. UCB, E2D, and AMS/EBO control or relax the upper Bellman bracket in different ways. For the main application, we give a negative answer to a widely studied form of the GP--UCB minimax-optimality question. For every $0<α<1/4$, we construct one bounded continuous kernel whose minimax regret is $Θ(T^{1-α})$ along an infinite sequence of horizons, while two globally calibrated GP--UCB rules incur linear regret under one fixed truth. An epochwise finite-marginal action-index AIR Bellman policy, implemented through robust AIR/AMS/EBO control, attains the minimax order. The construction separates realized information from the cost of uniform optimism: many low-value directions inflate the exploration multiplier and change the trajectory. Through the canonical RKHS feature map, it also yields a finite-horizon polynomial minimax separation for the specified maximal-information-calibrated LinUCB rule. A reproducible experiment illustrates the mechanism.

We provide the first regret analysis of ReMax in stochastic multi-armed bandits. Originally introduced for reinforcement learning, ReMax is motivated by the role of exploration when multiple attempts are allowed, and is closely related to retry-based objectives such as pass@$k$ and max@$k$, which value the best outcome across those attempts. Given a posterior over arm values, ReMax chooses a sampling distribution that maximizes the posterior expected maximum arm value over $M$ virtual draws. For Gaussian rewards with $K$ arms and any fixed integer $M\ge2$, we characterize optimal sampling distributions through an expected-improvement balance condition and prove an $O(\sqrt{(M-1)KT\log T})$ finite-time bound on expected regret. Our analysis separates a logarithmic contribution from rounds without optimal-arm underestimation and a recovery term that dominates the bound. For every fixed instance with pairwise distinct arm means, we further prove an asymptotic logarithmic regret upper bound whose coefficient is at most $M-1$ times the optimal coefficient by Lai and Robbins. When $M=2$, this bound implies the asymptotic optimality of ReMax. Gaussian-bandit experiments show that ReMax performs competitively with Thompson sampling and KL-UCB. They also reveal a trade-off: larger $M$ reduces regret incurred during optimal-arm underestimation, but this reduction does not necessarily translate into lower total regret. Controlled recovery experiments show that separating suboptimal means accelerates recovery, while severe underestimation of the optimal arm can lead to long delays before it is sampled again.

This paper studies kernelized bandits (also known as Gaussian process bandits) in an adversarial environment, where the reward functions in a known reproducing kernel Hilbert space (RKHS) may be adversarially chosen at each round. We show that the exponential-weight algorithm achieves $\tilde{O}(\sqrt{T γ_T})$ adversarial regret, where $T$ and $γ_T$ denote the number of total rounds and the maximum information gain, respectively. For squared exponential (SE) and $ν$-Matérn kernels, we also show algorithm-independent lower bounds that guarantee the optimality of our algorithm up to polylogarithmic factors. Furthermore, we present a computationally efficient variant of our algorithm using Nyström approximation while maintaining nearly optimal regret guarantees.

Recent work established a generalized-Fano framework for lower bounding prior-predictive (Bayesian) CVaR in interactive statistical decision making. In this paper, we show how to instantiate that framework in concrete interactive problems and derive explicit Bayesian CVaR lower bounds from its abstract corollaries. Our approach compares a hard model with a reference model using squared Hellinger distance, and combines a lower bound on a reference hinge term with a bound on the distinguishability of the two models. We apply this approach to canonical examples, including Gaussian bandits, and obtain explicit bounds that make the dependence on key problem parameters transparent. These results show how the generalized-Fano Bayesian CVaR framework can be used as a practical lower-bound tool for interactive learning and risk-sensitive decision making.

We study an algorithm-independent, worst-case lower bound for the Gaussian process (GP) bandit problem in the frequentist setting, where the reward function is fixed and has a bounded norm in the known reproducing kernel Hilbert space (RKHS). Specifically, we focus on the squared exponential (SE) kernel, one of the most widely used kernel functions in GP bandits. One of the remaining open questions for this problem is the gap in the dimension-dependent logarithmic factors between upper and lower bounds. This paper partially resolves this open question under a hyperspherical input domain. We show that any algorithm suffers $Ω(\sqrt{T (\ln T)^{d} (\ln \ln T)^{-d}})$ cumulative regret, where $T$ and $d$ represent the total number of steps and the dimension of the hyperspherical domain, respectively. Regarding the simple regret, we show that any algorithm requires $Ω(ε^{-2}(\ln \frac{1}ε)^d (\ln \ln \frac{1}ε)^{-d})$ time steps to find an $ε$-optimal point. We also provide the improved $O((\ln T)^{d+1}(\ln \ln T)^{-d})$ upper bound on the maximum information gain for the SE kernel. Our results guarantee the optimality of the existing best algorithm up to dimension-independent logarithmic factors under a hyperspherical input domain.

We study a type of Multi-Armed Bandit (MAB) problems in which arms with a Gaussian reward feedback are clustered. Such an arm setting finds applications in many real-world problems, for example, mmWave communications and portfolio management with risky assets, as a result of the universality of the Gaussian distribution. Based on the Thompson Sampling algorithm with Gaussian prior (TSG) algorithm for the selection of the optimal arm, we propose our Thompson Sampling with Clustered arms under Gaussian prior (TSCG) specific to the 2-level hierarchical structure. We prove that by utilizing the 2-level structure, we can achieve a lower regret bound than we do with ordinary TSG. In addition, when the reward is Unimodal, we can reach an even lower bound on the regret by our Unimodal Thompson Sampling algorithm with Clustered Arms under Gaussian prior (UTSCG). Each of our proposed algorithms are accompanied by theoretical evaluation of the upper regret bound, and our numerical experiments confirm the advantage of our proposed algorithms.

We study Gaussian Process Thompson Sampling (GP-TS) for sequential decision-making over compact, continuous action spaces and provide a frequentist regret analysis based on fractional Gaussian process posteriors, without relying on domain discretization as in prior work. We show that the variance inflation commonly assumed in existing analyses of GP-TS can be interpreted as Thompson Sampling with respect to a fractional posterior with tempering parameter $α\in (0,1)$. We derive a kernel-agnostic regret bound expressed in terms of the information gain parameter $γ_t$ and the posterior contraction rate $ε_t$, and identify conditions on the Gaussian process prior under which $ε_t$ can be controlled. As special cases of our general bound, we recover regret of order $\tilde{\mathcal{O}}(T^{\frac{1}{2}})$ for the squared exponential kernel, $\tilde{\mathcal{O}}(T^{\frac{2ν+3d}{2(2ν+d)}} )$ for the Matérn-$ν$ kernel, and a bound of order $\tilde{\mathcal{O}}(T^{\frac{2ν+3d}{2(2ν+d)}})$ for the rational quadratic kernel. Overall, our analysis provides a unified and discretization-free regret framework for GP-TS that applies broadly across kernel classes.

Sequential optimization of black-box functions from noisy evaluations has been widely studied, with Gaussian Process bandit algorithms such as GP-UCB guaranteeing no-regret in stationary settings. However, for time-varying objectives, no-regret is unattainable under pure bandit feedback unless strong and often unrealistic assumptions are imposed. We propose a novel method for optimizing time-varying rewards in the frequentist setting, where the objective has bounded RKHS norm almost surely. Time variations are captured through uncertainty injection, enabling heteroscedastic Gaussian process regression that adapts past observations to the current time step. As no-regret is unattainable in general in the strict bandit setting, we relax the latter allowing additional queries on previously observed points. Building on sparse inference and the effect of uncertainty injection on regret, we propose W-SparQ-GP-UCB, an online algorithm that achieves no-regret with a vanishing number of additional queries per iteration. To assess the theoretical limits of this approach, we establish a lower bound on the number of additional queries required for no-regret, proving the efficiency of our method. Finally, we provide a comprehensive analysis linking the temporal regime of the function to achievable regret rates, together with upper and lower bounds on the number of additional queries needed in each regime.