The linearized-Laplace approximation (LLA) has been shown to be effective and efficient in constructing Bayesian neural networks. It is theoretically compelling since it can be seen as a Gaussian process posterior with the mean function given by the neural network's maximum-a-posteriori predictive function and the covariance function induced by the empirical neural tangent kernel. However, while its efficacy has been studied in large-scale tasks like image classification, it has not been studied in sequential decision-making problems like Bayesian optimization where Gaussian processes -- with simple mean functions and kernels such as the radial basis function -- are the de-facto surrogate models. In this work, we study the usefulness of the LLA in Bayesian optimization and highlight its strong performance and flexibility. However, we also present some pitfalls that might arise and a potential problem with the LLA when the search space is unbounded.
翻译:线性化拉普拉斯逼近(LLA)已被证明在构建贝叶斯神经网络中是高效且有效的。该方法从理论上讲非常有吸引力,因为它可以视为后验高斯过程,其中均值函数由神经网络的最大后验预测函数给出,协方差函数由经验神经切向核引发。然而,虽然它在大规模任务中的功效已得到研究,例如图像分类,但它在贝叶斯优化之类的序贯决策问题中的实用性尚未得到研究,其中高斯过程具有简单的均值函数和核函数(例如径向基函数),是默认的代理模型。在本文中,我们研究了LLA在贝叶斯优化中的实用性和灵活性,突出了其强大性能和灵活性。然而,我们还提出了可能出现的缺陷和当搜索空间无限大时LLA可能存在的问题。