Interactive Hyperparameter Optimization in Multi-Objective Problems via Preference Learning

Hyperparameter optimization (HPO) is important to leverage the full potential of machine learning (ML). In practice, users are often interested in multi-objective (MO) problems, i.e., optimizing potentially conflicting objectives, like accuracy and energy consumption. To tackle this, the vast majority of MO-ML algorithms return a Pareto front of non-dominated machine learning models to the user. Optimizing the hyperparameters of such algorithms is non-trivial as evaluating a hyperparameter configuration entails evaluating the quality of the resulting Pareto front. In literature, there are known indicators that assess the quality of a Pareto front (e.g., hypervolume, R2) by quantifying different properties (e.g., volume, proximity to a reference point). However, choosing the indicator that leads to the desired Pareto front might be a hard task for a user. In this paper, we propose a human-centered interactive HPO approach tailored towards multi-objective ML leveraging preference learning to extract desiderata from users that guide the optimization. Instead of relying on the user guessing the most suitable indicator for their needs, our approach automatically learns an appropriate indicator. Concretely, we leverage pairwise comparisons of distinct Pareto fronts to learn such an appropriate quality indicator. Then, we optimize the hyperparameters of the underlying MO-ML algorithm towards this learned indicator using a state-of-the-art HPO approach. In an experimental study targeting the environmental impact of ML, we demonstrate that our approach leads to substantially better Pareto fronts compared to optimizing based on a wrong indicator pre-selected by the user, and performs comparable in the case of an advanced user knowing which indicator to pick

Multi-Objective GFlowNets

We study the problem of generating diverse candidates in the context of Multi-Objective Optimization. In many applications of machine learning such as drug discovery and material design, the goal is to generate candidates which simultaneously optimize a set of potentially conflicting objectives. Moreover, these objectives are often imperfect evaluations of some underlying property of interest, making it important to generate diverse candidates to have multiple options for expensive downstream evaluations. We propose Multi-Objective GFlowNets (MOGFNs), a novel method for generating diverse Pareto optimal solutions, based on GFlowNets. We introduce two variants of MOGFNs: MOGFN-PC, which models a family of independent sub-problems defined by a scalarization function, with reward-conditional GFlowNets, and MOGFN-AL, which solves a sequence of sub-problems defined by an acquisition function in an active learning loop. Our experiments on wide variety of synthetic and benchmark tasks demonstrate advantages of the proposed methods in terms of the Pareto performance and importantly, improved candidate diversity, which is the main contribution of this work.Comment: 23 pages, 8 figures. ICML 2023. Code at: https://github.com/GFNOrg/multi-objective-gf

Feature learning in feature-sample networks using multi-objective optimization

Data and knowledge representation are fundamental concepts in machine learning. The quality of the representation impacts the performance of the learning model directly. Feature learning transforms or enhances raw data to structures that are effectively exploited by those models. In recent years, several works have been using complex networks for data representation and analysis. However, no feature learning method has been proposed for such category of techniques. Here, we present an unsupervised feature learning mechanism that works on datasets with binary features. First, the dataset is mapped into a feature--sample network. Then, a multi-objective optimization process selects a set of new vertices to produce an enhanced version of the network. The new features depend on a nonlinear function of a combination of preexisting features. Effectively, the process projects the input data into a higher-dimensional space. To solve the optimization problem, we design two metaheuristics based on the lexicographic genetic algorithm and the improved strength Pareto evolutionary algorithm (SPEA2). We show that the enhanced network contains more information and can be exploited to improve the performance of machine learning methods. The advantages and disadvantages of each optimization strategy are discussed.Comment: 7 pages, 4 figure

Solving Dynamic Multi-objective Optimization Problems Using Incremental Support Vector Machine

The main feature of the Dynamic Multi-objective Optimization Problems (DMOPs) is that optimization objective functions will change with times or environments. One of the promising approaches for solving the DMOPs is reusing the obtained Pareto optimal set (POS) to train prediction models via machine learning approaches. In this paper, we train an Incremental Support Vector Machine (ISVM) classifier with the past POS, and then the solutions of the DMOP we want to solve at the next moment are filtered through the trained ISVM classifier. A high-quality initial population will be generated by the ISVM classifier, and a variety of different types of population-based dynamic multi-objective optimization algorithms can benefit from the population. To verify this idea, we incorporate the proposed approach into three evolutionary algorithms, the multi-objective particle swarm optimization(MOPSO), Nondominated Sorting Genetic Algorithm II (NSGA-II), and the Regularity Model-based multi-objective estimation of distribution algorithm(RE-MEDA). We employ experiments to test these algorithms, and experimental results show the effectiveness.Comment: 6 page

Multi-Objective Bayesian Optimization with Active Preference Learning

There are a lot of real-world black-box optimization problems that need to optimize multiple criteria simultaneously. However, in a multi-objective optimization (MOO) problem, identifying the whole Pareto front requires the prohibitive search cost, while in many practical scenarios, the decision maker (DM) only needs a specific solution among the set of the Pareto optimal solutions. We propose a Bayesian optimization (BO) approach to identifying the most preferred solution in the MOO with expensive objective functions, in which a Bayesian preference model of the DM is adaptively estimated by an interactive manner based on the two types of supervisions called the pairwise preference and improvement request. To explore the most preferred solution, we define an acquisition function in which the uncertainty both in the objective functions and the DM preference is incorporated. Further, to minimize the interaction cost with the DM, we also propose an active learning strategy for the preference estimation. We empirically demonstrate the effectiveness of our proposed method through the benchmark function optimization and the hyper-parameter optimization problems for machine learning models