We study black-box vector optimization with Gaussian process bandits, where there is an incomplete order relation on objective vectors described by a polyhedral convex cone. Existing black-box vector optimization approaches either suffer from high sample complexity or lack theoretical guarantees. We propose Vector Optimization with Gaussian Process (VOGP), an adaptive elimination algorithm that identifies Pareto optimal solutions sample efficiently by exploiting the smoothness of the objective function. We establish theoretical guarantees, deriving information gain-based and kernel-specific sample complexity bounds. Finally, we conduct a thorough empirical evaluation of VOGP and compare it with the state-of-the-art multi-objective and vector optimization algorithms on several real-world and synthetic datasets, emphasizing VOGP's efficiency (e.g., $\sim18\times$ lower sample complexity on average). We also provide heuristic adaptations of VOGP for cases where the design space is continuous and where the Gaussian process model lacks access to the true kernel hyperparameters. This work opens a new frontier in sample-efficient multi-objective black-box optimization by incorporating preference structures while maintaining theoretical guarantees and practical efficiency.
Assuming distributions are Gaussian often facilitates computations that are otherwise intractable. We study the performance of an agent that attains a bounded information ratio with respect to a bandit environment with a Gaussian prior distribution and a Gaussian likelihood function when applied instead to a Bernoulli bandit. Relative to an information-theoretic bound on the Bayesian regret the agent would incur when interacting with the Gaussian bandit, we bound the increase in regret when the agent interacts with the Bernoulli bandit. If the Gaussian prior distribution and likelihood functio…
The widespread proliferation of data-driven decision-making has ushered in a recent interest in the design of privacy-preserving algorithms. In this paper, we consider the ubiquitous problem of gaussian process (GP) bandit optimization from the lens of privacy-preserving statistics. We propose a solution for differentially private GP bandit optimization that combines a uniform kernel approximator with random perturbations, providing a generic framework to create differentially-private (DP) Gaussian process bandit algorithms. For two specific DP settings - joint and local differential privacy, …
University of British Columbia（不列颠哥伦比亚大学）；Yahoo! Research（雅虎研究院）
This paper analyses the problem of Gaussian process (GP) bandits with deterministic observations. The analysis uses a branch and bound algorithm that is related to the UCB algorithm of (Srinivas et al., 2010). For GPs with Gaussian observation noise, with variance strictly greater than zero, (Srinivas et al., 2010) proved that the regret vanishes at the approximate rate of $O(\frac{1}{\sqrt{t}})$, where t is the number of observations. To complement their result, we attack the deterministic case and attain a much faster exponential convergence rate. Under some regularity assumptions, we show t…
The Australian National University（澳大利亚国立大学）；Data61, CSIRO（联邦科学与工业研究组织 Data61）
We consider the continuum-armed bandits problem, under a novel setting of recommending the best arms within a fixed budget under aggregated feedback. This is motivated by applications where the precise rewards are impossible or expensive to obtain, while an aggregated reward or feedback, such as the average over a subset, is available. We constrain the set of reward functions by assuming that they are from a Gaussian Process and propose the Gaussian Process Optimistic Optimisation (GPOO) algorithm. We adaptively construct a tree with nodes as subsets of the arm space, where the feedback is the…
University of British Columbia（不列颠哥伦比亚大学）；Yahoo! Research（雅虎研究院）
This paper analyzes the problem of Gaussian process (GP) bandits with deterministic observations. The analysis uses a branch and bound algorithm that is related to the UCB algorithm of (Srinivas et al, 2010). For GPs with Gaussian observation noise, with variance strictly greater than zero, Srinivas et al proved that the regret vanishes at the approximate rate of $O(1/\sqrt{t})$, where t is the number of observations. To complement their result, we attack the deterministic case and attain a much faster exponential convergence rate. Under some regularity assumptions, we show that the regret dec…
École Polytechnique Fédérale de Lausanne (EPFL)（洛桑联邦理工学院）
We consider the sequential Bayesian optimization problem with bandit feedback, adopting a formulation that allows for the reward function to vary with time. We model the reward function using a Gaussian process whose evolution obeys a simple Markov model. We introduce two natural extensions of the classical Gaussian process upper confidence bound (GP-UCB) algorithm. The first, R-GP-UCB, resets GP-UCB at regular intervals. The second, TV-GP-UCB, instead forgets about old data in a smooth fashion. Our main contribution comprises of novel regret bounds for these algorithms, providing an explicit …
In this paper, the problem of maximizing a black-box function $f:\mathcal{X} \to \mathbb{R}$ is studied in the Bayesian framework with a Gaussian Process (GP) prior. In particular, a new algorithm for this problem is proposed, and high probability bounds on its simple and cumulative regret are established. The query point selection rule in most existing methods involves an exhaustive search over an increasingly fine sequence of uniform discretizations of $\mathcal{X}$. The proposed algorithm, in contrast, adaptively refines $\mathcal{X}$ which leads to a lower computational complexity, particu…
University of California, Santa Barbara（加州大学圣巴巴拉分校）
Many applications require a learner to make sequential decisions given uncertainty regarding both the system's payoff function and safety constraints. In safety-critical systems, it is paramount that the learner's actions do not violate the safety constraints at any stage of the learning process. In this paper, we study a stochastic bandit optimization problem where the unknown payoff and constraint functions are sampled from Gaussian Processes (GPs) first considered in [Srinivas et al., 2010]. We develop a safe variant of GP-UCB called SGP-UCB, with necessary modifications to respect safety c…
ETH Zürich（苏黎世联邦理工学院）；National University of Singapore（新加坡国立大学）
We consider the problem of optimizing an unknown (typically non-convex) function with a bounded norm in some Reproducing Kernel Hilbert Space (RKHS), based on noisy bandit feedback. We consider a novel variant of this problem in which the point evaluations are not only corrupted by random noise, but also adversarial corruptions. We introduce an algorithm Fast-Slow GP-UCB based on Gaussian process methods, randomized selection between two instances labeled "fast" (but non-robust) and "slow" (but robust), enlarged confidence bounds, and the principle of optimism under uncertainty. We present a n…
MediaTek Research（联发科技研究院）；Imperial College London（伦敦帝国理工学院）
Consider the sequential optimization of a continuous, possibly non-convex, and expensive to evaluate objective function $f$. The problem can be cast as a Gaussian Process (GP) bandit where $f$ lives in a reproducing kernel Hilbert space (RKHS). The state of the art analysis of several learning algorithms shows a significant gap between the lower and upper bounds on the simple regret performance. When $N$ is the number of exploration trials and $γ_N$ is the maximal information gain, we prove an $\tilde{\mathcal{O}}(\sqrt{γ_N/N})$ bound on the simple regret performance of a pure exploration algo…
The University of Tokyo（东京大学）；RIKEN AIP（理化学研究所先进智能项目中心）
The Gaussian process bandit is a problem in which we want to find a maximizer of a black-box function with the minimum number of function evaluations. If the black-box function varies with time, then time-varying Bayesian optimization is a promising framework. However, a drawback with current methods is in the assumption that the evaluation time for every observation is constant, which can be unrealistic for many practical applications, e.g., recommender systems and environmental monitoring. As a result, the performance of current methods can be degraded when this assumption is violated. To co…
Can one parallelize complex exploration exploitation tradeoffs? As an example, consider the problem of optimal high-throughput experimental design, where we wish to sequentially design batches of experiments in order to simultaneously learn a surrogate function mapping stimulus to response and identify the maximum of the function. We formalize the task as a multi-armed bandit problem, where the unknown payoff function is sampled from a Gaussian process (GP), and instead of a single arm, in each round we pull a batch of several arms in parallel. We develop GP-BUCB, a principled algorithm for ch…
Recently, there has been rising interest in Bayesian optimization -- the optimization of an unknown function with assumptions usually expressed by a Gaussian Process (GP) prior. We study an optimization strategy that directly uses an estimate of the argmax of the function. This strategy offers both practical and theoretical advantages: no tradeoff parameter needs to be selected, and, moreover, we establish close connections to the popular GP-UCB and GP-PI strategies. Our approach can be understood as automatically and adaptively trading off exploration and exploitation in GP-UCB and GP-PI. We …
University of Oxford（牛津大学）；University of British Columbia（不列颠哥伦比亚大学）；USC Information Sciences Institute（南加州大学信息科学研究所）
Achieving the full promise of the Thermodynamic Variational Objective (TVO), a recently proposed variational lower bound on the log evidence involving a one-dimensional Riemann integral approximation, requires choosing a "schedule" of sorted discretization points. This paper introduces a bespoke Gaussian process bandit optimization method for automatically choosing these points. Our approach not only automates their one-time selection, but also dynamically adapts their positions over the course of optimization, leading to improved model learning and inference. We provide theoretical guarantees…
We consider the problem of optimizing a black-box function based on noisy bandit feedback. Kernelized bandit algorithms have shown strong empirical and theoretical performance for this problem. They heavily rely on the assumption that the model is well-specified, however, and can fail without it. Instead, we introduce a \emph{misspecified} kernelized bandit setting where the unknown function can be $ε$--uniformly approximated by a function with a bounded norm in some Reproducing Kernel Hilbert Space (RKHS). We design efficient and practical algorithms whose performance degrades minimally in th…
Gaussian processes (GP) are a widely-adopted tool used to sequentially optimize black-box functions, where evaluations are costly and potentially noisy. Recent works on GP bandits have proposed to move beyond random noise and devise algorithms robust to adversarial attacks. This paper studies this problem from the attacker's perspective, proposing various adversarial attack methods with differing assumptions on the attacker's strength and prior information. Our goal is to understand adversarial attacks on GP bandits from theoretical and practical perspectives. We focus primarily on targeted at…
ETH Zürich（苏黎世联邦理工学院）；National University of Singapore（新加坡国立大学）
We consider the sequential optimization of an unknown, continuous, and expensive to evaluate reward function, from noisy and adversarially corrupted observed rewards. When the corruption attacks are subject to a suitable budget $C$ and the function lives in a Reproducing Kernel Hilbert Space (RKHS), the problem can be posed as corrupted Gaussian process (GP) bandit optimization. We propose a novel robust elimination-type algorithm that runs in epochs, combines exploration with infrequent switching to select a small subset of actions, and plays each action for multiple time instants. Our algori…
The Ohio State University（俄亥俄州立大学）；Wayne State University（韦恩州立大学）；University of Michigan（密歇根大学）
In this paper, we consider the Gaussian process (GP) bandit optimization problem in a non-stationary environment. To capture external changes, the black-box function is allowed to be time-varying within a reproducing kernel Hilbert space (RKHS). To this end, we develop WGP-UCB, a novel UCB-type algorithm based on weighted Gaussian process regression. A key challenge is how to cope with infinite-dimensional feature maps. To that end, we leverage kernel approximation techniques to prove a sublinear regret bound, which is the first (frequentist) sublinear regret guarantee on weighted time-varying…
In this paper, we study the problem of Gaussian process (GP) bandits under relaxed optimization criteria stating that any function value above a certain threshold is "good enough". On the theoretical side, we study various {\em lenient regret} notions in which all near-optimal actions incur zero penalty, and provide upper bounds on the lenient regret for GP-UCB and an elimination algorithm, circumventing the usual $O(\sqrt{T})$ term (with time horizon $T$) resulting from zooming extremely close towards the function maximum. In addition, we complement these upper bounds with algorithm-independe…
Carnegie Mellon University（卡内基梅隆大学）；Arizona State University（亚利桑那州立大学）；University of North Carolina at Chapel Hill（北卡罗来纳大学教堂山分校）
In many scientific and engineering applications, we are tasked with the maximisation of an expensive to evaluate black box function $f$. Traditional settings for this problem assume just the availability of this single function. However, in many cases, cheap approximations to $f$ may be obtainable. For example, the expensive real world behaviour of a robot can be approximated by a cheap computer simulation. We can use these approximations to eliminate low function value regions cheaply and use the expensive evaluations of $f$ in a small but promising region and speedily identify the optimum. W…
California Institute of Technology（加州理工学院）；University of Pennsylvania（宾夕法尼亚大学）；Saarland University（萨尔大学）
Many applications require optimizing an unknown, noisy function that is expensive to evaluate. We formalize this task as a multi-armed bandit problem, where the payoff function is either sampled from a Gaussian process (GP) or has low RKHS norm. We resolve the important open problem of deriving regret bounds for this setting, which imply novel convergence rates for GP optimization. We analyze GP-UCB, an intuitive upper-confidence based algorithm, and bound its cumulative regret in terms of maximal information gain, establishing a novel connection between GP optimization and experimental design…
University of Maryland（马里兰大学）；Purdue University（普渡大学）；US Army Research Laboratory（美国陆军研究实验室）；Amazon（亚马逊）
Bayesian optimization is a framework for global search via maximum a posteriori updates rather than simulated annealing, and has gained prominence for decision-making under uncertainty. In this work, we cast Bayesian optimization as a multi-armed bandit problem, where the payoff function is sampled from a Gaussian process (GP). Further, we focus on action selections via upper confidence bound (UCB) or expected improvement (EI) due to their prevalent use in practice. Prior works using GPs for bandits cannot allow the iteration horizon $T$ to be large, as the complexity of computing the posterio…
In this paper, we consider the problem of black-box optimization using Gaussian Process (GP) bandit optimization with a small number of batches. Assuming the unknown function has a low norm in the Reproducing Kernel Hilbert Space (RKHS), we introduce a batch algorithm inspired by batched finite-arm bandit algorithms, and show that it achieves the cumulative regret upper bound $O^\ast(\sqrt{Tγ_T})$ using $O(\log\log T)$ batches within time horizon $T$, where the $O^\ast(\cdot)$ notation hides dimension-independent logarithmic factors and $γ_T$ is the maximum information gain associated with the…
We consider exponential two-armed bandit problem in which incomes are described by exponential distribution densities. We develop Bayesian approach and present recursive equation for determination of Bayesian strategy and Bayesian risk. In the limiting case as the control horizon goes to infinity, we obtain the second order partial differential equation in the domain of "close distributions". Results are compared with Gaussian two-armed bandit. It turned out that exponential and Gaussian two-armed bandits have the same description in the limiting case. Since Gaussian two-armed bandit describes…
Consider the sequential optimization of an expensive to evaluate and possibly non-convex objective function $f$ from noisy feedback, that can be considered as a continuum-armed bandit problem. Upper bounds on the regret performance of several learning algorithms (GP-UCB, GP-TS, and their variants) are known under both a Bayesian (when $f$ is a sample from a Gaussian process (GP)) and a frequentist (when $f$ lives in a reproducing kernel Hilbert space) setting. The regret bounds often rely on the maximal information gain $γ_T$ between $T$ observations and the underlying GP (surrogate) model. We…
In this paper, we consider algorithm-independent lower bounds for the problem of black-box optimization of functions having a bounded norm is some Reproducing Kernel Hilbert Space (RKHS), which can be viewed as a non-Bayesian Gaussian process bandit problem. In the standard noisy setting, we provide a novel proof technique for deriving lower bounds on the regret, with benefits including simplicity, versatility, and an improved dependence on the error probability. In a robust setting in which every sampled point may be perturbed by a suitably-constrained adversary, we provide a novel lower boun…
In this paper, we consider the problem of sequentially optimizing a black-box function $f$ based on noisy samples and bandit feedback. We assume that $f$ is smooth in the sense of having a bounded norm in some reproducing kernel Hilbert space (RKHS), yielding a commonly-considered non-Bayesian form of Gaussian process bandit optimization. We provide algorithm-independent lower bounds on the simple regret, measuring the suboptimality of a single point reported after $T$ rounds, and on the cumulative regret, measuring the sum of regrets over the $T$ chosen points. For the isotropic squared-expon…
Hokkaido University（北海道大学）；NTT DATA Corporation（NTT数据公司）；Osaka University（大阪大学）；Kyoto Prefectural University of Medicine（京都府立医科大学）
Classification bandits are multi-armed bandit problems whose task is to classify a given set of arms into either positive or negative class depending on whether the rate of the arms with the expected reward of at least h is not less than w for given thresholds h and w. We study a special classification bandit problem in which arms correspond to points x in d-dimensional real space with expected rewards f(x) which are generated according to a Gaussian process prior. We develop a framework algorithm for the problem using various arm selection policies and propose policies called FCB and FTSV. We…
North Carolina State University（北卡罗来纳州立大学）；INRIA Saclay（法国国家信息与自动化研究所萨克雷中心）；Coupang（酷澎）
We consider the sequential decision optimization on the periodic environment, that occurs in a wide variety of real-world applications when the data involves seasonality, such as the daily demand of drivers in ride-sharing and dynamic traffic patterns in transportation. In this work, we focus on learning the stochastic periodic world by leveraging this seasonal law. To deal with the general action space, we use the bandit based on Gaussian process (GP) as the base model due to its flexibility and generality, and propose the Periodic-GP method with a temporal periodic kernel based on the upper …
Contextual Combinatorial Bandits with Changing Action Sets via Gaussian Processes
Max Planck Institute for Software Systems（马克斯·普朗克软件系统研究所）；Department of Computer and Communication Sciences（计算机与通信科学系）；Department of Electrical and Electronics Engineering（电气与电子工程系）
Gaussian Process bandit optimization has emerged as a powerful tool for optimizing noisy black box functions. One example in machine learning is hyper-parameter optimization where each evaluation of the target function requires training a model which may involve days or even weeks of computation. Most methods for this so-called "Bayesian optimization" only allow sequential exploration of the parameter space. However, it is often desirable to propose batches or sets of parameter values to explore simultaneously, especially when there are large parallel processing facilities at our disposal. Bat…
University of California, Berkeley（加州大学伯克利分校）；Amazon（亚马逊）；DeepMind（深度思维）；Google Research（谷歌研究院）
Mean rewards of actions are often correlated. The form of these correlations may be complex and unknown a priori, such as the preferences of a user for recommended products and their categories. To maximize statistical efficiency, it is important to leverage these correlations when learning. We formulate a bandit variant of this problem where the correlations of mean action rewards are represented by a hierarchical Bayesian model with latent variables. Since the hierarchy can have multiple layers, we call it deep. We propose a hierarchical Thompson sampling algorithm (HierTS) for this problem,…
Duke University（杜克大学）；Carnegie Mellon University（卡内基梅隆大学）；Autodesk, Inc.（欧特克公司）
Stochastic Lipschitz bandit algorithms balance exploration and exploitation, and have been used for a variety of important task domains. In this paper, we present a framework for Lipschitz bandit methods that adaptively learns partitions of context- and arm-space. Due to this flexibility, the algorithm is able to efficiently optimize rewards and minimize regret, by focusing on the portions of the space that are most relevant. In our analysis, we link tree-based methods to Gaussian processes. In light of our analysis, we design a novel hierarchical Bayesian model for Lipschitz bandit problems. …
STOR-i Centre for Doctoral Training, Lancaster University（兰卡斯特大学STOR-i博士训练中心）；Department of Mathematics and Statistics, Lancaster University（兰卡斯特大学数学与统计系）
Thompson Sampling is a well established approach to bandit and reinforcement learning problems. However its use in continuum armed bandit problems has received relatively little attention. We provide the first bounds on the regret of Thompson Sampling for continuum armed bandits under weak conditions on the function class containing the true function and sub-exponential observation noise. Our bounds are realised by analysis of the eluder dimension, a recently proposed measure of the complexity of a function class, which has been demonstrated to be useful in bounding the Bayesian regret of Thom…
We consider the minimax setup for Gaussian one-armed bandit problem, i.e. the two-armed bandit problem with Gaussian distributions of incomes and known distribution corresponding to the first arm. This setup naturally arises when the optimization of batch data processing is considered and there are two alternative processing methods available with a priori known efficiency of the first method. One should estimate the efficiency of the second method and provide predominant usage of the most efficient of both them. According to the main theorem of the theory of games minimax strategy and minimax…
In stochastic bandit problems, a Bayesian policy called Thompson sampling (TS) has recently attracted much attention for its excellent empirical performance. However, the theoretical analysis of this policy is difficult and its asymptotic optimality is only proved for one-parameter models. In this paper we discuss the optimality of TS for the model of normal distributions with unknown means and variances as one of the most fundamental example of multiparameter models. First we prove that the expected regret of TS with the uniform prior achieves the theoretical bound, which is the first result …
Princeton University（普林斯顿大学）；University of Pennsylvania（宾夕法尼亚大学）
We consider the correlated multiarmed bandit (MAB) problem in which the rewards associated with each arm are modeled by a multivariate Gaussian random variable, and we investigate the influence of the assumptions in the Bayesian prior on the performance of the upper credible limit (UCL) algorithm and a new correlated UCL algorithm. We rigorously characterize the influence of accuracy, confidence, and correlation scale in the prior on the decision-making performance of the algorithms. Our results show how priors and correlation structure can be leveraged to improve performance.
We consider Thompson sampling for linear bandit problems with finitely many independent arms, where rewards are sampled from normal distributions that are linearly dependent on unknown parameter vectors and with unknown variance. Specifically, with a Bayesian formulation we consider multivariate normal-gamma priors to represent environment uncertainty for all involved parameters. We show that our chosen sampling prior is a conjugate prior to the reward model and derive a Bayesian regret bound for Thompson sampling under the condition that the 5/2-moment of the variance distribution exist.
Stochastic sparse linear bandits offer a practical model for high-dimensional online decision-making problems and have a rich information-regret structure. In this work we explore the use of information-directed sampling (IDS), which naturally balances the information-regret trade-off. We develop a class of information-theoretic Bayesian regret bounds that nearly match existing lower bounds on a variety of problem instances, demonstrating the adaptivity of IDS. To efficiently implement sparse IDS, we propose an empirical Bayesian approach for sparse posterior sampling using a spike-and-slab Ga…
This paper studies the problem of stochastic continuum-armed bandit with constraints (SCBwC), where we optimize a black-box reward function $f(x)$ subject to a black-box constraint function $g(x)\leq 0$ over a continuous space $\mathcal X$. We model reward and constraint functions via Gaussian processes (GPs) and propose a Rectified Pessimistic-Optimistic Learning framework (RPOL), a penalty-based method incorporating optimistic and pessimistic GP bandit learning for reward and constraint functions, respectively. We consider the metric of cumulative constraint violation $\sum_{t=1}^T(g(x_t))^{…
Gaussian Process Bandit Optimization with Machine Learning Predictions and Application to Hypothesis Generation
Department of Management Science and Engineering, Stanford University, Stanford, USA（管理科学与工程系，斯坦福大学，斯坦福，美国）；Graduate School of Business, Stanford University, Stanford, USA（商学院，斯坦福大学，斯坦福，美国）
