Bayesian optimization (BO) is a sample-efficient approach for tuning design parameters to optimize expensive-to-evaluate, black-box performance metrics. In many manufacturing processes, the design parameters are subject to random input noise, resulting in a product that is often less performant than expected. Although BO methods have been proposed for optimizing a single objective under input noise, no existing method addresses the practical scenario where there are multiple objectives that are sensitive to input perturbations. In this work, we propose the first multi-objective BO method that is robust to input noise. We formalize our goal as optimizing the multivariate value-at-risk (MVaR), a risk measure of the uncertain objectives. Since directly optimizing MVaR is computationally infeasible in many settings, we propose a scalable, theoretically-grounded approach for optimizing MVaR using random scalarizations. Empirically, we find that our approach significantly outperforms alternative methods and efficiently identifies optimal robust designs that will satisfy specifications across multiple metrics with high probability.
The notion of expense in Bayesian optimisation generally refers to the uniformly expensive cost of function evaluations over the whole search space. However, in some scenarios, the cost of evaluation for black-box objective functions is non-uniform since different inputs from search space may incur different costs for function evaluations. We introduce a cost-aware multi-objective Bayesian optimisation with non-uniform evaluation cost over objective functions by defining cost-aware constraints over the search space. The cost-aware constraints are a sorted tuple of indexes that demonstrate the …
We present a multi-objective Bayesian optimisation algorithm that allows the user to express preference-order constraints on the objectives of the type "objective A is more important than objective B". These preferences are defined based on the stability of the obtained solutions with respect to preferred objective functions. Rather than attempting to find a representative subset of the complete Pareto front, our algorithm selects those Pareto-optimal points that satisfy these constraints. We formulate a new acquisition function based on expected improvement in dominated hypervolume (EHI) to e…
This paper addresses the problem of constrained multi-objective optimization over black-box objective functions with practitioner-specified preferences over the objectives when a large fraction of the input space is infeasible (i.e., violates constraints). This problem arises in many engineering design problems including analog circuits and electric power system design. Our overall goal is to approximate the optimal Pareto set over the small fraction of feasible input designs. The key challenges include the huge size of the design space, multiple objectives and large number of constraints, and…
Many real world scientific and industrial applications require optimizing multiple competing black-box objectives. When the objectives are expensive-to-evaluate, multi-objective Bayesian optimization (BO) is a popular approach because of its high sample efficiency. However, even with recent methodological advances, most existing multi-objective BO methods perform poorly on search spaces with more than a few dozen parameters and rely on global surrogate models that scale cubically with the number of observations. In this work we propose MORBO, a scalable method for multi-objective BO over high-…
Kobe Steel, Ltd.（神户制钢所）；The Institute of Statistical Mathematics（统计数理研究所）；RIKEN AIP（理化学研究所AIP）
Bayesian optimization is an effective method to efficiently optimize unknown objective functions with high evaluation costs. Traditional Bayesian optimization algorithms select one point per iteration for single objective function, whereas in recent years, Bayesian optimization for multi-objective optimization or multi-point search per iteration have been proposed. However, Bayesian optimization that can deal with them at the same time in non-heuristic way is not known at present. We propose a Bayesian optimization algorithm that can deal with multi-objective optimization and multi-point searc…
In many real-world scenarios, decision makers seek to efficiently optimize multiple competing objectives in a sample-efficient fashion. Multi-objective Bayesian optimization (BO) is a common approach, but many of the best-performing acquisition functions do not have known analytic gradients and suffer from high computational overhead. We leverage recent advances in programming models and hardware acceleration for multi-objective BO using Expected Hypervolume Improvement (EHVI)---an algorithm notorious for its high computational complexity. We derive a novel formulation of q-Expected Hypervolum…
Many real-world problems can be phrased as a multi-objective optimization problem, where the goal is to identify the best set of compromises between the competing objectives. Multi-objective Bayesian optimization (BO) is a sample efficient strategy that can be deployed to solve these vector-valued optimization problems where access is limited to a number of noisy objective function evaluations. In this paper, we propose a novel information-theoretic acquisition function for BO called Joint Entropy Search (JES), which considers the joint information gain for the optimal set of inputs and output…
Groupe PSA（标致雪铁龙集团）；École Nationale Supérieure des Mines de Saint-Étienne（圣艾蒂安国立高等矿业学校）；CNRS LIMOS（法国国家科学研究中心LIMOS实验室）；INRA Toulouse（法国国家农业科学研究院图卢兹分院）
Multi-objective optimization aims at finding trade-off solutions to conflicting objectives. These constitute the Pareto optimal set. In the context of expensive-to-evaluate functions, it is impossible and often non-informative to look for the entire set. As an end-user would typically prefer a certain part of the objective space, we modify the Bayesian multi-objective optimization algorithm which uses Gaussian Processes to maximize the Expected Hypervolume Improvement, to focus the search in the preferred region. The cumulated effects of the Gaussian Processes and the targeting strategy lead t…
University of Milano-Bicocca（米兰比可卡大学）；OAKS srl（OAKS有限责任公司）
There is a consensus that focusing only on accuracy in searching for optimal machine learning models amplifies biases contained in the data, leading to unfair predictions and decision supports. Recently, multi-objective hyperparameter optimization has been proposed to search for machine learning models which offer equally Pareto-efficient trade-offs between accuracy and fairness. Although these approaches proved to be more versatile than fairness-aware machine learning algorithms -- which optimize accuracy constrained to some threshold on fairness -- they could drastically increase the energy …
Bayesian optimization is a popular tool for data-efficient optimization of expensive objective functions. In real-life applications like engineering design, the designer often wants to take multiple objectives as well as input uncertainty into account to find a set of robust solutions. While this is an active topic in single-objective Bayesian optimization, it is less investigated in the multi-objective case. We introduce a novel Bayesian optimization framework to efficiently perform multi-objective optimization considering input uncertainty. We propose a robust Gaussian Process model to infer…
Student-$t$ processes have recently been proposed as an appealing alternative non-parameteric function prior. They feature enhanced flexibility and predictive variance. In this work the use of Student-$t$ processes are explored for multi-objective Bayesian optimization. In particular, an analytical expression for the hypervolume-based probability of improvement is developed for independent Student-$t$ process priors of the objectives. Its effectiveness is shown on a multi-objective optimization problem which is known to be difficult with traditional Gaussian processes.
Bayesian optimization is a class of data efficient model based algorithms typically focused on global optimization. We consider the more general case where a user is faced with multiple problems that each need to be optimized conditional on a state variable, for example given a range of cities with different patient distributions, we optimize the ambulance locations conditioned on patient distribution. Given partitions of CIFAR-10, we optimize CNN hyperparameters for each partition. Similarity across objectives boosts optimization of each objective in two ways: in modelling by data sharing acr…
Wind energy is one of the cleanest renewable electricity sources and can help in addressing the challenge of climate change. One of the drawbacks of wind-generated energy is the large space necessary to install a wind farm; this arises from the fact that placing wind turbines in a limited area would hinder their productivity and therefore not be economically convenient. This naturally leads to an optimisation problem, which has three specific challenges: (1) multiple conflicting objectives (2) computationally expensive simulation models and (3) optimisation over design sets instead of design v…
Bayesian optimization (BO) is a framework for global optimization of expensive-to-evaluate objective functions. Classical BO methods assume that the objective function is a black box. However, internal information about objective function computation is often available. For example, when optimizing a manufacturing line's throughput with simulation, we observe the number of parts waiting at each workstation, in addition to the overall throughput. Recent BO methods leverage such internal information to dramatically improve performance. We call these "grey-box" BO methods because they treat objec…
Many real-world applications involve black-box optimization of multiple objectives using continuous function approximations that trade-off accuracy and resource cost of evaluation. For example, in rocket launching research, we need to find designs that trade-off return-time and angular distance using continuous-fidelity simulators (e.g., varying tolerance parameter to trade-off simulation time and accuracy) for design evaluations. The goal is to approximate the optimal Pareto set by minimizing the cost for evaluations. In this paper, we propose a novel approach referred to as information-Theor…
Optimizing multiple, non-preferential objectives for mixed-variable, expensive black-box problems is important in many areas of engineering and science. The expensive, noisy, black-box nature of these problems makes them ideal candidates for Bayesian optimization (BO). Mixed-variable and multi-objective problems, however, are a challenge due to BO's underlying smooth Gaussian process surrogate model. Current multi-objective BO algorithms cannot deal with mixed-variable problems. We present MixMOBO, the first mixed-variable, multi-objective Bayesian optimization framework for such problems. Usi…
TNO（荷兰国家应用科学研究院）；University of Exeter（埃克塞特大学）；Swansea University（斯旺西大学）；Delft University of Technology（代尔夫特理工大学）
Performing multi-objective Bayesian optimisation by scalarising the objectives avoids the computation of expensive multi-dimensional integral-based acquisition functions, instead of allowing one-dimensional standard acquisition functions\textemdash such as Expected Improvement\textemdash to be applied. Here, two infill criteria based on hypervolume improvement\textemdash one recently introduced and one novel\textemdash are compared with the multi-surrogate Expected Hypervolume Improvement. The reasons for the disparities in these methods' effectiveness in maximising the hypervolume of the acqu…
Many real world applications can be framed as multi-objective optimization problems, where we wish to simultaneously optimize for multiple criteria. Bayesian optimization techniques for the multi-objective setting are pertinent when the evaluation of the functions in question are expensive. Traditional methods for multi-objective optimization, both Bayesian and otherwise, are aimed at recovering the Pareto front of these objectives. However, in certain cases a practitioner might desire to identify Pareto optimal points only in a subset of the Pareto front due to external considerations. In thi…
This article focuses on the multi-objective optimization of stochastic simulators with high output variance, where the input space is finite and the objective functions are expensive to evaluate. We rely on Bayesian optimization algorithms, which use probabilistic models to make predictions about the functions to be optimized. The proposed approach is an extension of the Pareto Active Learning (PAL) algorithm for the estimation of Pareto-optimal solutions that makes it suitable for the stochastic setting. We named it Pareto Active Learning for Stochastic Simulators (PALS). The performance of P…
University of Exeter（埃克塞特大学）；Swansea University（斯旺西大学）
Optimisation problems often have multiple conflicting objectives that can be computationally and/or financially expensive. Mono-surrogate Bayesian optimisation (BO) is a popular model-based approach for optimising such black-box functions. It combines objective values via scalarisation and builds a Gaussian process (GP) surrogate of the scalarised values. The location which maximises a cheap-to-query acquisition function is chosen as the next location to expensively evaluate. While BO is an effective strategy, the use of GPs is limiting. Their performance decreases as the problem input dimensi…
School of Industrial and Systems Engineering, Georgia Institute of Technology（佐治亚理工学院工业与系统工程学院）；School of Operations Research and Information Engineering, Cornell University（康奈尔大学运筹学与信息工程学院）
We consider Bayesian optimization of objective functions of the form $ρ[ F(x, W) ]$, where $F$ is a black-box expensive-to-evaluate function and $ρ$ denotes either the VaR or CVaR risk measure, computed with respect to the randomness induced by the environmental random variable $W$. Such problems arise in decision making under uncertainty, such as in portfolio optimization and robust systems design. We propose a family of novel Bayesian optimization algorithms that exploit the structure of the objective function to substantially improve sampling efficiency. Instead of modeling the objective fu…
An ongoing aim of research in multiobjective Bayesian optimization is to extend its applicability to a large number of objectives. While coping with a limited budget of evaluations, recovering the set of optimal compromise solutions generally requires numerous observations and is less interpretable since this set tends to grow larger with the number of objectives. We thus propose to focus on a specific solution originating from game theory, the Kalai-Smorodinsky solution, which possesses attractive properties. In particular, it ensures equal marginal gains over all objectives. We further make …
In this note we consider setups in which variational objectives for Bayesian neural networks can be computed in closed form. In particular we focus on single-layer networks in which the activation function is piecewise polynomial (e.g. ReLU). In this case we show that for a Normal likelihood and structured Normal variational distributions one can compute a variational lower bound in closed form. In addition we compute the predictive mean and variance in closed form. Finally, we also show how to compute approximate lower bounds for other likelihoods (e.g. softmax classification). In experiments…
School of Computer Science and Statistics, Trinity College Dublin（都柏林圣三一学院计算机科学与统计学学院）；Dalle Molle Institute for Artificial Intelligence Research (IDSIA)（达勒·莫勒人工智能研究所（IDSIA））
In this work we introduce a new framework for multi-objective Bayesian optimisation where the multi-objective functions can only be accessed via choice judgements, such as ``I pick options A,B,C among this set of five options A,B,C,D,E''. The fact that the option D is rejected means that there is at least one option among the selected ones A,B,C that I strictly prefer over D (but I do not have to specify which one). We assume that there is a latent vector function f for some dimension $n_e$ which embeds the options into the real vector space of dimension n, so that the choice set can be repres…
Many real-world multi-objective optimisation problems rely on computationally expensive function evaluations. Multi-objective Bayesian optimisation (BO) can be used to alleviate the computation time to find an approximated set of Pareto optimal solutions. In many real-world problems, a decision-maker has some preferences on the objective functions. One approach to incorporate the preferences in multi-objective BO is to use a scalarising function and build a single surrogate model (mono-surrogate approach) on it. This approach has two major limitations. Firstly, the fitness landscape of the sca…
Work While They Sleep: Exploiting Evaluation Latency for Fully Bayesian Optimization
Vector Institute（向量研究所）；INRIA Saclay（法国国家信息与自动化研究所萨克雷研究中心）；University of Waterloo（滑铁卢大学）；Waterloo Institute for Nanotechnology（滑铁卢纳米技术研究所）；Western University（西安大略大学）
Optimizing multiple competing black-box objectives is a challenging problem in many fields, including science, engineering, and machine learning. Multi-objective Bayesian optimization (MOBO) is a sample-efficient approach for identifying the optimal trade-offs between the objectives. However, many existing methods perform poorly when the observations are corrupted by noise. We propose a novel acquisition function, NEHVI, that overcomes this important practical limitation by applying a Bayesian treatment to the popular expected hypervolume improvement (EHVI) criterion and integrating over this …
Some real problems require the evaluation of expensive and noisy objective functions. Moreover, the analytical expression of these objective functions may be unknown. These functions are known as black-boxes, for example, estimating the generalization error of a machine learning algorithm and computing its prediction time in terms of its hyper-parameters. Multi-objective Bayesian optimization (MOBO) is a set of methods that has been successfully applied for the simultaneous optimization of black-boxes. Concretely, BO methods rely on a probabilistic model of the objective functions, typically a…
Real-world problems often involve the optimization of several objectives under multiple constraints. An example is the hyper-parameter tuning problem of machine learning algorithms. In particular, the minimization of the estimation of the generalization error of a deep neural network and at the same time the minimization of its prediction time. We may also consider as a constraint that the deep neural network must be implemented in a chip with an area below some size. Here, both the objectives and the constraint are black boxes, i.e., functions whose analytical expressions are unknown and are …
Osaka University（大阪大学）；Japan Fine Ceramics Center（日本精细陶瓷中心）；Nagoya Institute of Technology（名古屋工业大学）；National Institute for Material Science（国立材料科学研究所）
This paper studies an entropy-based multi-objective Bayesian optimization (MBO). The entropy search is successful approach to Bayesian optimization. However, for MBO, existing entropy-based methods ignore trade-off among objectives or introduce unreliable approximations. We propose a novel entropy-based MBO called Pareto-frontier entropy search (PFES) by considering the entropy of Pareto-frontier, which is an essential notion of the optimality of the multi-objective problem. Our entropy can incorporate the trade-off relation of the optimal values, and further, we derive an analytical formula w…
We present Parallel Feasible Pareto Frontier Entropy Search ($\{\text{PF}\}^2$ES) -- a novel information-theoretic acquisition function for multi-objective Bayesian optimization supporting unknown constraints and batch query. Due to the complexity of characterizing the mutual information between candidate evaluations and (feasible) Pareto frontiers, existing approaches must either employ crude approximations that significantly hamper their performance or rely on expensive inference schemes that substantially increase the optimization's computational overhead. By instead using a variational low…
We present MESMOC+, an improved version of Max-value Entropy search for Multi-Objective Bayesian optimization with Constraints (MESMOC). MESMOC+ can be used to solve constrained multi-objective problems when the objectives and the constraints are expensive to evaluate. MESMOC+ works by minimizing the entropy of the solution of the optimization problem in function space, i.e., the Pareto frontier, to guide the search for the optimum. The cost of MESMOC+ is linear in the number of objectives and constraints. Furthermore, it is often significantly smaller than the cost of alternative methods base…
We present PESMO, a Bayesian method for identifying the Pareto set of multi-objective optimization problems, when the functions are expensive to evaluate. The central idea of PESMO is to choose evaluation points so as to maximally reduce the entropy of the posterior distribution over the Pareto set. Critically, the PESMO multi-objective acquisition function can be decomposed as a sum of objective-specific acquisition functions, which enables the algorithm to be used in \emph{decoupled} scenarios in which the objectives can be evaluated separately and perhaps with different costs. This decoupli…
Modern deep neural network models suffer from adversarial examples, i.e. confidently misclassified points in the input space. It has been shown that Bayesian neural networks are a promising approach for detecting adversarial points, but careful analysis is problematic due to the complexity of these models. Recently Gilmer et al. (2018) introduced adversarial spheres, a toy set-up that simplifies both practical and theoretical analysis of the problem. In this work, we use the adversarial sphere set-up to understand the properties of approximate Bayesian inference methods for a linear model in a…
We consider the problem of constrained multi-objective blackbox optimization using expensive function evaluations, where the goal is to approximate the true Pareto set of solutions satisfying a set of constraints while minimizing the number of function evaluations. For example, in aviation power system design applications, we need to find the designs that trade-off total energy and the mass while satisfying specific thresholds for motor temperature and voltage of cells. This optimization requires performing expensive computational simulations to evaluate designs. In this paper, we propose a ne…
Active Preference Learning over Latent Preference Archetypes for Many-Objective Bayesian Optimization
University of Manchester（曼彻斯特大学）；University of Edinburgh（爱丁堡大学）；Aalto University（阿尔托大学）；University of Amsterdam（阿姆斯特丹大学）；ELLIS Institute Finland（芬兰ELLIS研究所）
We propose a surrogate-assisted reference vector adaptation (SRVA) method to solve expensive multi- and many-objective optimization problems with various Pareto front shapes. SRVA is coupled with a multi-objective Bayesian optimization (MBO) algorithm using reference vectors for scalarization of objective functions. The Kriging surrogate models for MBO is used to estimate the Pareto front shape and generate adaptive reference vectors uniformly distributed on the estimated Pareto front. We combine SRVA with expected improvement of penalty-based boundary intersection as an infill criterion for M…
We propose a novel Bayesian Optimization approach for black-box functions with an environmental variable whose value determines the tradeoff between evaluation cost and the fidelity of the evaluations. Further, we use a novel approach to sampling support points, allowing faster construction of the acquisition function. This allows us to achieve optimization with lower overheads than previous approaches and is implemented for a more general class of problem. We show this approach to be effective on synthetic and real world benchmark problems.
This article addresses the problem of derivative-free (single- or multi-objective) optimization subject to multiple inequality constraints. Both the objective and constraint functions are assumed to be smooth, non-linear and expensive to evaluate. As a consequence, the number of evaluations that can be used to carry out the optimization is very limited, as in complex industrial design optimization problems. The method we propose to overcome this difficulty has its roots in both the Bayesian and the multi-objective optimization literatures. More specifically, an extended domination rule is used…
Ericsson Research（爱立信研究院）；KTH Royal Institute of Technology（KTH皇家理工学院）
Cell-free multi-user multiple input multiple output networks are a promising alternative to classical cellular architectures, since they have the potential to provide uniform service quality and high resource utilisation over the entire coverage area of the network. To realise this potential, previous works have developed radio resource management mechanisms using various optimisation engines. In this work, we consider the problem of overall ergodic spectral efficiency maximisation in the context of uplink-downlink data power control in cell-free networks. To solve this problem in large networ…
Imperial College London（伦敦帝国理工学院）；University of Manchester（曼彻斯特大学）；University of Edinburgh（爱丁堡大学）；Alan Turing Institute（艾伦·图灵研究所）
Bayesian Optimisation (BO) methods seek to find global optima of objective functions which are only available as a black-box or are expensive to evaluate. Such methods construct a surrogate model for the objective function, quantifying the uncertainty in that surrogate through Bayesian inference. Objective evaluations are sequentially determined by maximising an acquisition function at each step. However, this ancilliary optimisation problem can be highly non-trivial to solve, due to the non-convexity of the acquisition function, particularly in the case of batch Bayesian optimisation, where m…
Multi Objective Design Optimization of Non Pneumatic Passenger Car Tires Using Finite Element Modeling, Machine Learning, and Particle swarm Optimization and Bayesian Optimization Algorithms
