We consider the problem of multi-objective (MO) blackbox optimization using expensive function evaluations, where the goal is to approximate the true Pareto-set of solutions by minimizing the number of function evaluations. For example, in hardware design optimization, we need to find the designs that trade-off performance, energy, and area overhead using expensive simulations. We propose a novel approach referred to as Max-value Entropy Search for Multi-objective Optimization (MESMO) to solve this problem. MESMO employs an output-space entropy based acquisition function to efficiently select the sequence of inputs for evaluation for quickly uncovering high-quality solutions. We also provide theoretical analysis to characterize the efficacy of MESMO. Our experiments on several synthetic and real-world benchmark problems show that MESMO consistently outperforms state-of-the-art algorithms.

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 outputs. We present several analytical approximations to the JES acquisition function and also introduce an extension to the batch setting.

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.

Bayesian optimization (BO) offers an efficient pipeline for optimizing black-box functions with the help of a Gaussian process prior and an acquisition function (AF). Recently, in the context of single-objective BO, learning-based AFs witnessed promising empirical results given its favorable non-myopic nature. Despite this, the direct extension of these approaches to multi-objective Bayesian optimization (MOBO) suffer from the \textit{hypervolume identifiability issue}, which results from the non-Markovian nature of MOBO problems. To tackle this, inspired by the non-Markovian RL literature and the success of Transformers in language modeling, we present a generalized deep Q-learning framework and propose \textit{BOFormer}, which substantiates this framework for MOBO via sequence modeling. Through extensive evaluation, we demonstrate that BOFormer constantly outperforms the benchmark rule-based and learning-based algorithms in various synthetic MOBO and real-world multi-objective hyperparameter optimization problems. We have made the source code publicly available to encourage further research in this direction.

Designing modern industrial systems requires balancing several competing objectives, such as profitability, resilience, and sustainability, while accounting for complex interactions between technological, economic, and environmental factors. Multi-objective optimization (MOO) methods are commonly used to navigate these tradeoffs, but selecting the appropriate algorithm to tackle these problems is often unclear, particularly when system representations vary from fully equation-based (white-box) to entirely data-driven (black-box) models. While grey-box MOO methods attempt to bridge this gap, they typically impose rigid assumptions on system structure, requiring models to conform to the underlying structural assumptions of the solver rather than the solver adapting to the natural representation of the system of interest. In this chapter, we introduce a unifying approach to grey-box MOO by leveraging network representations, which provide a general and flexible framework for modeling interconnected systems as a series of function nodes that share various inputs and outputs. Specifically, we propose MOBONS, a novel Bayesian optimization-inspired algorithm that can efficiently optimize general function networks, including those with cyclic dependencies, enabling the modeling of feedback loops, recycle streams, and multi-scale simulations - features that existing methods fail to capture. Furthermore, MOBONS incorporates constraints, supports parallel evaluations, and preserves the sample efficiency of Bayesian optimization while leveraging network structure for improved scalability. We demonstrate the effectiveness of MOBONS through two case studies, including one related to sustainable process design. By enabling efficient MOO under general graph representations, MOBONS has the potential to significantly enhance the design of more profitable, resilient, and sustainable engineering systems.

Several scenarios require the optimization of non-convex black-box functions, that are noisy expensive to evaluate functions with unknown analytical expression, whose gradients are hence not accessible. For example, the hyper-parameter tuning problem of machine learning models. Bayesian optimization is a class of methods with state-of-the-art performance delivering a solution to this problem in real scenarios. It uses an iterative process that employs a probabilistic surrogate model, typically a Gaussian process, of the objective function to be optimized computing a posterior predictive distribution of the black-box function. Based on the information given by this posterior predictive distribution, Bayesian optimization includes the computation of an acquisition function that represents, for every input space point, the utility of evaluating that point in the next iteraiton if the objective of the process is to retrieve a global extremum. This paper is a survey of the information theoretical acquisition functions, whose performance typically outperforms the rest of acquisition functions. The main concepts of the field of information theory are also described in detail to make the reader aware of why information theory acquisition functions deliver great results in Bayesian optimization and how can we approximate them when they are intractable. We also cover how information theory acquisition functions can be adapted to complex optimization scenarios such as the multi-objective, constrained, non-myopic, multi-fidelity, parallel and asynchronous settings and provide further lines of research.

We consider the problem of finite-horizon sequential experimental design to solve multi-objective optimization (MOO) of expensive black-box objective functions. This problem arises in many real-world applications, including materials design, where we have a small resource budget to make and evaluate candidate materials in the lab. We solve this problem using the framework of Bayesian optimization (BO) and propose the first set of non-myopic methods for MOO problems. Prior work on non-myopic BO for single-objective problems relies on the Bellman optimality principle to handle the lookahead reasoning process. However, this principle does not hold for most MOO problems because the reward function needs to satisfy some conditions: scalar variable, monotonicity, and additivity. We address this challenge by using hypervolume improvement (HVI) as our scalarization approach, which allows us to use a lower-bound on the Bellman equation to approximate the finite-horizon using a batch expected hypervolume improvement (EHVI) acquisition function (AF) for MOO. Our formulation naturally allows us to use other improvement-based scalarizations and compare their efficacy to HVI. We derive three non-myopic AFs for MOBO: 1) the Nested AF, which is based on the exact computation of the lower bound, 2) the Joint AF, which is a lower bound on the nested AF, and 3) the BINOM AF, which is a fast and approximate variant based on batch multi-objective acquisition functions. Our experiments on multiple diverse real-world MO problems demonstrate that our non-myopic AFs substantially improve performance over the existing myopic AFs for MOBO.

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 outputs. We present several analytical approximations to the JES acquisition function and also introduce an extension to the batch setting.

We consider the problem of multi-objective (MO) blackbox optimization using expensive function evaluations, where the goal is to approximate the true Pareto-set of solutions by minimizing the number of function evaluations. For example, in hardware design optimization, we need to find the designs that trade-off performance, energy, and area overhead using expensive simulations. We propose a novel approach referred to as Max-value Entropy Search for Multi-objective Optimization (MESMO) to solve this problem. MESMO employs an output-space entropy based acquisition function to efficiently select the sequence of inputs for evaluation for quickly uncovering high-quality solutions. We also provide theoretical analysis to characterize the efficacy of MESMO.

Deploying Deep Neural Networks (DNNs) on tiny devices is a common trend to process the increasing amount of sensor data being generated. Multi-objective optimization approaches can be used to compress DNNs by applying network pruning and weight quantization to minimize the memory footprint (RAM), the number of parameters (ROM) and the number of floating point operations (FLOPs) while maintaining the predictive accuracy. In this paper, we show that existing multi-objective Bayesian optimization (MOBOpt) approaches can fall short in finding optimal candidates on the Pareto front and propose a novel solver based on an ensemble of competing parametric policies trained using an Augmented Random Search Reinforcement Learning (RL) agent. Our methodology aims at finding feasible tradeoffs between a DNN's predictive accuracy, memory consumption on a given target system, and computational complexity. Our experiments show that we outperform existing MOBOpt approaches consistently on different data sets and architectures such as ResNet-18 and MobileNetV3.