Title
Bayesian Optimization With Approximate Set Kernels
Abstract
We propose a practical Bayesian optimization method over sets, to minimize a black-box function that takes a set as a single input. Because set inputs are permutation-invariant, traditional Gaussian process-based Bayesian optimization strategies which assume vector inputs can fall short. To address this, we develop a Bayesian optimization method with set kernel that is used to build surrogate functions. This kernel accumulates similarity over set elements to enforce permutation-invariance, but this comes at a greater computational cost. To reduce this burden, we propose two key components: (i) a more efficient approximate set kernel which is still positive-definite and is an unbiased estimator of the true set kernel with upper-bounded variance in terms of the number of subsamples, (ii) a constrained acquisition function optimization over sets, which uses symmetry of the feasible region that defines a set input. Finally, we present several numerical experiments which demonstrate that our method outperforms other methods.
Year
DOI
Venue
2021
10.1007/s10994-021-05949-0
MACHINE LEARNING
Keywords
DocType
Volume
Global optimization, Bayesian optimization, Set optimization
Journal
110
Issue
ISSN
Citations 
5
0885-6125
0
PageRank 
References 
Authors
0.34
0
5
Name
Order
Citations
PageRank
Jungtaek Kim185.33
Michael McCourt2274.87
Tackgeun You31374.90
Saehoon Kim451.12
Seungjin Choi51444133.30