简单随机搜索算法在高维优化中表现接近主流方法。
Pushing the Limits of the Reactive Affine Shaker Algorithm to Higher Dimensions
- 用仿射变换动态调整采样盒,仅凭是否改进目标函数决定方向。
- 在上千维空间中用更多采样次数达到与贝叶斯优化相当的性能。
- 适合对实现复杂度敏感、需快速部署的高维优化场景。
针对连续变量昂贵函数的贝叶斯优化(BO)通常基于高斯过程构建代理模型,通过探索与利用平衡策略选择下一个采样点。最初用于低维空间,近年已扩展至约一千维的高维空间。本文研究一种更简单的算法——反应式仿射抖动器(RAS)。每次采样在平行六面体(“盒子”)内均匀生成,盒子形状通过仿射变换随迭代动态调整,仅依据当前点位置及目标函数是否改进来更新,不直接使用函数值修改搜索区域。整个维度始终保留(无主动子空间)。尽管算法极简且仅采用随机局部搜索,结果却与高维贝叶斯优化的先进方法相当,仅需更多函数评估。通过消融实验和对高维空间中方向概率分布(改进步与主导盒子方向)的分析,深入理解了RAS行为,并评估了各模块对最终结果的相对重要性。
原文摘要 · Abstract (English)
Bayesian Optimization (BO) for the minimization of expensive functions of continuous variables uses all the knowledge acquired from previous samples (${\boldsymbol x}_i$ and $f({\boldsymbol x}_i)$ values) to build a surrogate model based on Gaussian processes. The surrogate is then exploited to define the next point to sample, through a careful balance of exploration and exploitation. Initially intended for low-dimensional spaces, BO has recently been modified and used also for very large-dimensional spaces (up to about one thousand dimensions). In this paper we consider a much simpler algorithm, called "Reactive Affine Shaker" (RAS). The next sample is always generated with a uniform probability distribution inside a parallelepiped (the "box"). At each iteration, the form of the box is adapted during the search through an affine transformation, based only on the point $\boldsymbol x$ position and on the success or failure in improving the function. The function values are therefore not used directly to modify the search area and to generate the next sample. The entire dimensionality is kept (no active subspaces). Despite its extreme simplicity and its use of only stochastic local search, surprisingly the produced results are comparable to and not too far from the state-of-the-art results of high-dimensional versions of BO, although with some more function evaluations. An ablation study and an analysis of probability distribution of directions (improving steps and prevailing box orientation) in very large-dimensional spaces are conducted to understand more about the behavior of RAS and to assess the relative importance of the algorithmic building blocks for the final results.
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