arXiv:2605.09775cs.LGmath.OC2026-05被引 2

用向量值核空间建模结构化输出,提升贝叶斯优化效率

Bayesian Optimization with Structured Measurements: A Vector-Valued RKHS Framework

论文配图:Bayesian Optimization with Structured Measurements: A Vector-Valued RKHS Framework
图 1 · 摘自论文原文
  • 基于向量值RKHS构建测量空间的高概率误差界
  • 在轨迹等结构化观测下实现样本效率提升
  • 适合多目标、动态系统优化场景

贝叶斯优化常用于优化昂贵的黑箱函数,但通常仅学习输入到标量目标的端到端映射,忽略了结构化输出中的丰富信息。本文研究具有结构化测量的向量值算子上的贝叶斯优化,其中每次测量为多维或函数型输出(如轨迹、空间场),目标定义为这些测量的线性泛函。这使得每次观测能揭示比标量观测更丰富的系统信息。假设未知算子属于向量值再生核希尔伯特空间(RKHS),我们直接在测量空间中推导出核岭回归(KRR)估计器的高概率浓度界,刻画了通用希尔伯特空间中的不确定性。基于此,提出一种基于上置信界(UCB)的算法,在温和假设下具备后悔率保证,并恢复常见核函数的次线性收敛率。实验表明,利用结构化测量可显著提升样本效率,实现跨目标的信息高效迁移和对时变设置的自适应。

原文摘要 · Abstract (English)

Bayesian optimization (BO) is an efficient framework for optimizing expensive black-box functions. However, it is typically formulated as learning an end-to-end mapping from inputs to scalar objectives, thereby discarding the potentially rich information whenever a structured system output is available. In this work, we study Bayesian optimization over a vector-valued operator with structured measurements, where each measurement observes multidimensional or functional outputs, e.g., trajectories or spatial fields, rather than a single scalar value. The objective is then defined as a linear functional of these measurements. This allows each observation to reveal substantially richer information about the underlying system compared to scalar observations. Assuming the unknown operator lies in a vector-valued reproducing kernel Hilbert space (RKHS), we derive high-probability concentration bounds for the kernel ridge regression (KRR) estimator directly in the measurement space, characterizing uncertainty in a general Hilbert space. Building on these results, we propose an algorithm based on the upper confidence bound (UCB) acquisition function with regret guarantees under mild assumptions, recovering sublinear rates for common kernels. Empirically, we demonstrate that leveraging structured measurements leads to improved sample efficiency by enabling efficient transfer of information across objectives and adaptation to time-varying settings.

贝叶斯优化向量值核结构化输出鲁棒优化

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