arXiv:2510.21052cs.LGstat.ML2025-10NeurIPS

用生成模型在线优化多目标问题,快速生成符合用户偏好的解集。

Amortized Active Generation of Pareto Sets

  • 通过概率估计器预测解的非支配关系,指导生成模型聚焦优质区域。
  • 无需计算超体积,就能高效逼近高质量解集,样本效率高。
  • 支持用户自定义偏好方向,适合需要灵活调整权衡的场景。

我们提出主动生成帕累托集(A-GPS),一种用于在线离散黑箱多目标优化的新框架。A-GPS学习帕累托集的生成模型,并支持基于用户偏好的后验条件生成。该方法使用类别概率估计器(CPE)预测非支配关系,引导生成模型向搜索空间中高性能区域集中。我们还证明,该非支配CPE隐式估计了超体积改进概率(PHVI)。为融入主观权衡,A-GPS引入偏好方向向量,编码用户在目标空间中的偏好。每轮迭代中,模型同时依据帕累托成员资格与偏好方向对齐进行更新,实现无需重训练即可采样整个帕累托前沿的渐进式生成模型。该方法简单而强大,可获得高质量帕累托集近似,避免显式超体积计算,并灵活捕捉用户偏好。在合成基准和蛋白质设计任务上的实验表明,其具有优异的样本效率和偏好融合能力。

原文摘要 · Abstract (English)

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.

多目标优化生成模型偏好学习

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