4 research outputs found
Estimating Local Function Complexity via Mixture of Gaussian Processes
Real world data often exhibit inhomogeneity, e.g., the noise level, the
sampling distribution or the complexity of the target function may change over
the input space. In this paper, we try to isolate local function complexity in
a practical, robust way. This is achieved by first estimating the locally
optimal kernel bandwidth as a functional relationship. Specifically, we propose
Spatially Adaptive Bandwidth Estimation in Regression (SABER), which employs
the mixture of experts consisting of multinomial kernel logistic regression as
a gate and Gaussian process regression models as experts. Using the locally
optimal kernel bandwidths, we deduce an estimate to the local function
complexity by drawing parallels to the theory of locally linear smoothing. We
demonstrate the usefulness of local function complexity for model
interpretation and active learning in quantum chemistry experiments and fluid
dynamics simulations.Comment: 19 pages, 16 figure