Amortized Active Generation of Pareto Sets
Not on the map. Why?
Abstract (arXiv)
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.
Key facts. Cited by 1 paper in the map (data through 14 Oct 2026). Builds on 32 of its 52 references that are in the map. First posted on arXiv 23 Oct 2025.
Builds on
32 of 52 references.
References · 32
- 2020Denoising Diffusion Probabilistic Modelscited by 21,076
- 2021Diffusion Models Beat GANs on Image Synthesiscited by 8,255
- 2022Flow Matching for Generative Modelingcited by 5,702
- 2017FiLM: Visual Reasoning with a General Conditioning Layercited by 2,333
- 2015Importance Weighted Autoencoderscited by 456
- 2019Monte Carlo Gradient Estimation in Machine Learningcited by 283
- 2020Differentiable Expected Hypervolume Improvement for Parallel Multi-Objective Bayesian Optimizationcited by 179
- 2020ProtTrans: Towards Cracking the Language of Life's Code Through Self-Supervised Deep Learning and High Performance Computingcited by 162
- 2023Protein Design with Guided Discrete Diffusioncited by 157
- 2023Unexpected Improvements to Expected Improvement for Bayesian Optimizationcited by 149
- 2021Parallel Bayesian Optimization of Multiple Noisy Objectives with Expected Hypervolume Improvementcited by 118
- 2020Normalizing Flows on Tori and Spherescited by 117
20 more
- 2019Conditioning by adaptive sampling for robust designcited by 111
- 2022Accelerating Bayesian Optimization for Biological Sequence Design with Denoising Autoencoderscited by 102
- 2022Multi-Objective GFlowNetscited by 101
- 2018A Flexible Framework for Multi-Objective Bayesian Optimization using Random Scalarizationscited by 99
- 2015Predictive Entropy Search for Multi-objective Bayesian Optimizationcited by 88
- 2020Max-value Entropy Search for Multi-Objective Bayesian Optimization with Constraintscited by 81
- 2024Fine-Tuning Discrete Diffusion Models via Reward Optimization with Applications to DNA and Protein Designcited by 79
- 2022Formal Algorithms for Transformerscited by 72
- 2022Pareto Set Learning for Expensive Multi-Objective Optimizationcited by 51
- 2022Robust Multi-Objective Bayesian Optimization Under Input Noisecited by 37
- 2020The Power Spherical distributioncited by 27
- 2019Efficient Computation of Expected Hypervolume Improvement Using Box Decomposition Algorithmscited by 24
- 2024ParetoFlow: Guided Flows in Multi-Objective Optimizationcited by 17
- 2024PROUD: PaRetO-gUided Diffusion Model for Multi-objective Generationcited by 16
- 2025Preference-Guided Diffusion for Multi-Objective Offline Optimizationcited by 12
- 2024Context-Guided Diffusion for Out-of-Distribution Molecular and Protein Designcited by 11
- 2024Closed-Form Test Functions for Biophysical Sequence Optimization Algorithmscited by 8
- 2024Variational Search Distributionscited by 6
- 2022MBORE: Multi-objective Bayesian Optimisation by Density-Ratio Estimationcited by 5
- 2022Bi-objective Ranking and Selection Using Stochastic Krigingcited by 2
Built on by
Citing papers per year: 2026: 1.
1 paper.
- 2026Active Flow Matchingcited by 0
- 2026Active Flow Matching1 Mar 2026