将专家经验与元贝叶斯优化结合,加速融合能源等高成本科学领域的实验发现。
Human-in-the-Loop Meta Bayesian Optimization for Fusion Energy and Scientific Applications
- 用元学习构建可复用的代理模型,融合专家先验指导实验设计。
- 在惯性约束聚变中提升能量输出,优于现有贝叶斯优化方法。
- 提供可解释建议,适合需要高可靠性、数据稀缺的科学实验场景。
惯性约束聚变(ICF)有望实现可持续、近乎无限的清洁能源,但受限于高昂成本和有限的实验机会。本文提出人类在环路的元贝叶斯优化(HL-MBO),将专家知识与少样本、不确定性感知的机器学习相结合,加速数据稀缺、高风险科学领域中的发现进程。HL-MBO引入元学习的代理模型与专家驱动的采集函数,以推荐候选实验;为增强信任并支持决策,还提供建议的可解释性说明。实验表明,该方法在ICF能量产率优化上超越现有贝叶斯优化技术,并在分子优化和超导材料临界温度最大化基准任务中表现优异。
原文摘要 · Abstract (English)
Inertial Confinement Fusion (ICF) holds transformative promise for sustainable, near-limitless clean energy, yet remains constrained by prohibitively high costs and limited experimental opportunities. This paper presents Human-in-the-Loop Meta Bayesian Optimization (HL-MBO), a framework that integrates expert knowledge with few-shot, uncertainty-aware machine learning to accelerate discovery in data-scarce, high-stakes scientific domains. HL-MBO introduces a meta-learned surrogate model with an expert-informed acquisition function to recommend candidate experiments. To foster trust and enable informed decisions, HL-MBO also provides interpretable explanations of its suggestions. We show HL-MBO outperforms current BO methods on ICF energy yield optimization, as well as benchmarks in molecular optimization and critical temperature maximization for superconducting materials.
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