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This research advances offline multi-objective optimization by introducing a risk control mechanism to mitigate out-of-distribution errors when surrogate models lack access to true objective functions. The proposed Nested Pareto Set Learning strategy enables adaptation to diverse front geometries, ensuring high-quality and well-distributed solutions even with limited data evaluations. Such methodological improvements are critical for deploying robust AI-driven optimization in real-world scenarios where function queries are expensive or unavailable.
Diversity-Driven Offline Multi-Objective Optimization via Nested Pareto Set Learning
arXiv:2606.15115v1 Announce Type: new Abstract: Multi-objective optimization (MOO) has emerged as a powerful approach to solving complex optimization problems involving multiple objectives. In many practical scenarios, function evaluations are unavailable or prohibitively expensive, necessitating optimization solely based on a fixed offline dataset. In this setting, known as offline MOO, the goal is to find out the Pareto set without access to the true objective functions. This setting suffers from the out-of-distribution (OOD) issue, where the surrogate model is not accurate for unseen designs. Due to the OOD issue, surrogate errors may cause the optimizer to select solutions that do not lie on the true Pareto front and are biased toward its extremes. To address this, this paper proposes Diversity-driven Offline Multi-Objective Optimization (DOMOO), which aims to find out a diverse and high-quality set of solutions. First, DOMOO incorporates an accumulative risk control module that estimates the potential risk of candidate solutions and alleviates the OOD issue between the training data and the generated solutions. In addition, a nested Pareto set learning (PSL) strategy is proposed to jointly learn preference and PSL parameters, then optimize them, enabling adaptation to diverse Pareto front geometries. To further enhance solution quality, we design a diversity-driven selection strategy that extracts a representative and well-distributed set of final solutions. To achieve this diversity-driven selection strategy, we propose $\text{IGD}_\text{offline}$, a tailored indicator for the offline setting that considers both diversity and convergence, and avoids the bias of hypervolume indicator. Extensive experiments on synthetic and real-world benchmarks show that DOMOO achieves the best average rank across tasks in both convergence and diversity among the compared methods.
Abstract:Multi-objective optimization (MOO) has emerged as a powerful approach to solving complex optimization problems involving multiple objectives. In many practical scenarios, function evaluations are unavailable or prohibitively expensive, necessitating optimization solely based on a fixed offline dataset. In this setting, known as offline MOO, the goal is to find out the Pareto set without access to the true objective functions. This setting suffers from the out-of-distribution (OOD) issue, where the surrogate model is not accurate for unseen designs. Due to the OOD issue, surrogate errors may cause the optimizer to select solutions that do not lie on the true Pareto front and are biased toward its extremes. To address this, this paper proposes Diversity-driven Offline Multi-Objective Optimization (DOMOO), which aims to find out a diverse and high-quality set of solutions. First, DOMOO incorporates an accumulative risk control module that estimates the potential risk of candidate solutions and alleviates the OOD issue between the training data and the generated solutions. In addition, a nested Pareto set learning (PSL) strategy is proposed to jointly learn preference and PSL parameters, then optimize them, enabling adaptation to diverse Pareto front geometries. To further enhance solution quality, we design a diversity-driven selection strategy that extracts a representative and well-distributed set of final solutions. To achieve this diversity-driven selection strategy, we propose $\text{IGD}_\text{offline}$, a tailored indicator for the offline setting that considers both diversity and convergence, and avoids the bias of hypervolume indicator. Extensive experiments on synthetic and real-world benchmarks show that DOMOO achieves the best average rank across tasks in both convergence and diversity among the compared methods.
32 pages, 7 figures, accepted by ICML 2026. Project: this https URL
Machine Learning (cs.LG)
arXiv:2606.15115 [cs.LG]
(or arXiv:2606.15115v1 [cs.LG] for this version)
https://doi.org/10.48550/arXiv.2606.15115 Focus to learn more arXiv-issued DOI via DataCite (pending registration)
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