论文标题

多保真成本感知贝叶斯优化

Multi-Fidelity Cost-Aware Bayesian Optimization

论文作者

Foumani, Zahra Zanjani, Shishehbor, Mehdi, Yousefpour, Amin, Bostanabad, Ramin

论文摘要

贝叶斯优化(BO)越来越多地用于材料设计和药物发现等关键应用中。 BO中越来越流行的策略是放弃唯一依赖高保真数据,而是使用提供廉价低保真数据的信息源集合。该策略的总体前提是通过查询廉价的低保真资源来降低总体采样成本,这些低保真源与高保真样本相关。在这里,我们提出了一个多保真成本感知的BO框架,该框架在效率,一致性和鲁棒性方面极大地超过了最先进的技术。 We demonstrate the advantages of our framework on analytic and engineering problems and argue that these benefits stem from our two main contributions: (1) we develop a novel acquisition function for multi-fidelity cost-aware BO that safeguards the convergence against the biases of low-fidelity data, and (2) we tailor a newly developed emulator for multi-fidelity BO which enables us to not only simultaneously learn from an ensemble of多保真数据集,但也确定了应从BO中排除的严重偏见的低保真源。

Bayesian optimization (BO) is increasingly employed in critical applications such as materials design and drug discovery. An increasingly popular strategy in BO is to forgo the sole reliance on high-fidelity data and instead use an ensemble of information sources which provide inexpensive low-fidelity data. The overall premise of this strategy is to reduce the overall sampling costs by querying inexpensive low-fidelity sources whose data are correlated with high-fidelity samples. Here, we propose a multi-fidelity cost-aware BO framework that dramatically outperforms the state-of-the-art technologies in terms of efficiency, consistency, and robustness. We demonstrate the advantages of our framework on analytic and engineering problems and argue that these benefits stem from our two main contributions: (1) we develop a novel acquisition function for multi-fidelity cost-aware BO that safeguards the convergence against the biases of low-fidelity data, and (2) we tailor a newly developed emulator for multi-fidelity BO which enables us to not only simultaneously learn from an ensemble of multi-fidelity datasets, but also identify the severely biased low-fidelity sources that should be excluded from BO.

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