English

Amortized Active Generation of Pareto Sets

Machine Learning 2025-12-18 v3 Machine Learning

Abstract

We introduce active generation of Pareto sets (A-GPS), a new framework for online discrete black-box multi-objective optimization (MOO). A-GPS learns a generative model of the Pareto set that supports a-posteriori conditioning on user preferences. The method employs a class probability estimator (CPE) to predict non-dominance relations and to condition the generative model toward high-performing regions of the search space. We also show that this non-dominance CPE implicitly estimates the probability of hypervolume improvement (PHVI). To incorporate subjective trade-offs, A-GPS introduces preference direction vectors that encode user-specified preferences in objective space. At each iteration, the model is updated using both Pareto membership and alignment with these preference directions, producing an amortized generative model capable of sampling across the Pareto front without retraining. The result is a simple yet powerful approach that achieves high-quality Pareto set approximations, avoids explicit hypervolume computation, and flexibly captures user preferences. Empirical results on synthetic benchmarks and protein design tasks demonstrate strong sample efficiency and effective preference incorporation.

Keywords

Cite

@article{arxiv.2510.21052,
  title  = {Amortized Active Generation of Pareto Sets},
  author = {Daniel M. Steinberg and Asiri Wijesinghe and Rafael Oliveira and Piotr Koniusz and Cheng Soon Ong and Edwin V. Bonilla},
  journal= {arXiv preprint arXiv:2510.21052},
  year   = {2025}
}

Comments

Appears in the 39th Conference on Neural Information Processing Systems (NeurIPS 2025)

R2 v1 2026-07-01T07:03:11.350Z