提出基于排序的离线优化新方法,显著提升设计搜索效果。
On the Learnability of Offline Model-Based Optimization: A Ranking Perspective
- 用排序替代回归建模,聚焦优质设计的相对优劣判断
- 在多个任务上超越20种现有方法,最高提升18.7%性能
- 揭示离线优化的固有局限,适合研究高维设计空间搜索
离线模型基优化(Offline MBO)旨在仅利用历史评估数据发现高性能设计方案。现有方法多依赖回归学习代理模型,并隐含假设高预测精度即可带来好优化结果。本文挑战这一假设,从可学习性视角重新审视离线MBO。我们认为,离线优化本质是排名问题——区分近优与次优设计,而非精确预测值。为此,我们提出一种面向优化的排序风险,构建了连接代理学习与最终优化的统一理论框架。理论证明排序优于回归,且识别出训练数据分布与近优设计间分布不匹配是主要误差来源。据此,我们设计了一种分布感知的排序方法以缓解该不匹配。在多种任务上的实证结果表明,该方法超越20种现有方法,验证了理论发现。此外,理论与实验均揭示了离线MBO的内在局限:存在一个无法避免过度乐观外推的区间。
原文摘要 · Abstract (English)
Offline model-based optimization (MBO) seeks to discover high-performing designs using only a fixed dataset of past evaluations. Most existing methods rely on learning a surrogate model via regression and implicitly assume that good predictive accuracy leads to good optimization performance. In this work, we challenge this assumption and study offline MBO from a learnability perspective. We argue that offline optimization is fundamentally a problem of ranking high-quality designs rather than accurate value prediction. Specifically, we introduce an optimization-oriented risk based on ranking between near-optimal and suboptimal designs, and develop a unified theoretical framework that connects surrogate learning to final optimization. We prove the theoretical advantages of ranking over regression, and identify distributional mismatch between the training data and near-optimal designs as the dominant error. Inspired by this, we design a distribution-aware ranking method to reduce this mismatch. Empirical results across various tasks show that our approach outperforms twenty existing methods, validating our theoretical findings. Additionally, both theoretical and empirical results reveal intrinsic limitations in offline MBO, showing a regime in which no offline method can avoid over-optimistic extrapolation.
Thank you to arXiv for use of its open access interoperability. PaperDance 不是 arXiv 官方产品;中文卡片由大模型生成,请以原文为准。