arXiv:2603.21180cs.LGstat.CO2026-03

用主动学习与多臂老虎机优化昂贵实验,加速黑箱问题求解。

ALMAB-DC: Active Learning, Multi-Armed Bandits, and Distributed Computing for Sequential Experimental Design and Black-Box Optimization

  • 基于高斯过程和贝叶斯优化,动态选择最有信息量的实验点。
  • 在多个任务中显著降低误差,分布式设置下提速7.5倍。
  • 适合需要高效实验设计的机器学习、工程优化场景。

在评估成本高昂、无梯度信息的黑箱优化中,如何高效利用有限的计算预算是一大挑战。本文提出ALMAB-DC框架,融合主动学习、多臂老虎机(MAB)与异步分布式计算,用于序列化实验设计。采用不确定性感知的高斯过程代理模型选取关键查询点;通过UCB或Thompson采样策略分配并行计算任务;异步调度器应对不同运行时差异。理论分析给出带宽组件的累积遗憾界,并基于Amdahl定律刻画并行可扩展性。在五个基准测试中验证:在剂量-反应优化中,简单遗憾低于等距、随机和D最优设计;在自适应空间场估计中性能匹配贪婪最大方差法,优于拉丁超立方采样;当并行数K=4时,分布式版本仅需1/4的串行轮次即可达到目标性能。在三个机器学习/工程任务中:CIFAR-10超参优化达93.4%准确率(优于BOHB 1.7pp,Optuna 1.1pp);空气动力学阻力最小化将阻力系数降至C_D = 0.059(较网格搜索降低36.9%);强化学习任务回报提升50%。所有优势经邦弗朗尼校正的Mann–Whitney U检验均显著。并行执行在K=16时实现7.5倍加速,符合Amdahl定律。

原文摘要 · Abstract (English)

Sequential experimental design under expensive, gradient-free objectives is a central challenge in computational statistics: evaluation budgets are tightly constrained and information must be extracted efficiently from each observation. We propose \textbf{ALMAB-DC}, a GP-based sequential design framework combining active learning, multi-armed bandits (MAB), and distributed asynchronous computing for expensive black-box experimentation. A Gaussian process surrogate with uncertainty-aware acquisition identifies informative query points; a UCB or Thompson-sampling bandit controller allocates evaluations across parallel workers; and an asynchronous scheduler handles heterogeneous runtimes. We present cumulative regret bounds for the bandit components and characterize parallel scalability via Amdahl's Law. We validate ALMAB-DC on five benchmarks. On the two statistical experimental-design tasks, ALMAB-DC achieves lower simple regret than Equal Spacing, Random, and D-optimal designs in dose--response optimization, and in adaptive spatial field estimation matches the Greedy Max-Variance benchmark while outperforming Latin Hypercube Sampling; at $K=4$ the distributed setting reaches target performance in one-quarter of sequential wall-clock rounds. On three ML/engineering tasks (CIFAR-10 HPO, CFD drag minimization, MuJoCo RL), ALMAB-DC achieves 93.4\% CIFAR-10 accuracy (outperforming BOHB by 1.7\,pp and Optuna by 1.1\,pp), reduces airfoil drag to $C_D = 0.059$ (36.9\% below Grid Search), and improves RL return by 50\% over Grid Search. All advantages over non-ALMAB baselines are statistically significant under Bonferroni-corrected Mann--Whitney $U$ tests. Distributed execution achieves $7.5\times$ speedup at $K = 16$ agents, consistent with Amdahl's Law.

黑箱优化主动学习分布式计算实验设计

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