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arXiv 2303.01682cs.LG
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Neural-BO:一种使用深度神经网络的黑盒优化算法

Neural-BO: A Black-box Optimization Algorithm using Deep Neural Networks

Deakin University(迪肯大学);Applied Artificial Intelligence Institute(应用人工智能研究所)

Dat Phan-Trong, Hung Tran-The, Sunil Gupta

AI总结:

本文提出Neural-BO算法,用深度神经网络替代高斯过程建模黑盒函数,避免核方法扩展性差和高维失效问题,并通过NTK理论证明其收敛性,实验显示其样本效率优于现有方法。

摘要:

贝叶斯优化(BO)是在函数评估代价高昂时对黑盒函数进行全局优化的一种有效方法。大多数先前的工作使用高斯过程来建模黑盒函数,然而,在高斯过程中使用核会导致两个问题:第一,基于核的方法在数据点数量增加时扩展性差;第二,由于维度灾难,核方法通常在复杂结构的高维数据上效果不佳。因此,我们提出了一种新的黑盒优化算法,其中黑盒函数使用神经网络进行建模。我们的算法不需要贝叶斯神经网络来估计预测不确定性,因此在计算上更具优势。我们利用神经正切核(NTK)理论的最新进展,从遗憾界(regret bound)的角度分析了算法的理论行为,证明了其高效收敛性。我们在合成优化任务和真实世界优化任务上进行了实验,结果表明我们的算法相比现有方法具有更高的样本效率。

英文摘要:

Bayesian Optimization (BO) is an effective approach for global optimization of black-box functions when function evaluations are expensive. Most prior works use Gaussian processes to model the black-box function, however, the use of kernels in Gaussian processes leads to two problems: first, the kernel-based methods scale poorly with the number of data points and second, kernel methods are usually not effective on complex structured high dimensional data due to curse of dimensionality. Therefore, we propose a novel black-box optimization algorithm where the black-box function is modeled using a neural network. Our algorithm does not need a Bayesian neural network to estimate predictive uncertainty and is therefore computationally favorable. We analyze the theoretical behavior of our algorithm in terms of regret bound using advances in NTK theory showing its efficient convergence. We perform experiments with both synthetic and real-world optimization tasks and show that our algorithm is more sample efficient compared to existing methods.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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