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Bayesian Additive Adaptive Basis Tensor Product Models for Modeling High Dimensional Surfaces: An application to high-throughput toxicity testing

Machine Learning 2017-06-16 v2

Abstract

Many modern data sets are sampled with error from complex high-dimensional surfaces. Methods such as tensor product splines or Gaussian processes are effective/well suited for characterizing a surface in two or three dimensions but may suffer from difficulties when representing higher dimensional surfaces. Motivated by high throughput toxicity testing where observed dose-response curves are cross sections of a surface defined by a chemical's structural properties, a model is developed to characterize this surface to predict untested chemicals' dose-responses. This manuscript proposes a novel approach that models the multidimensional surface as a sum of learned basis functions formed as the tensor product of lower dimensional functions, which are themselves representable by a basis expansion learned from the data. The model is described, a Gibbs sampling algorithm proposed, and is investigated in a simulation study as well as data taken from the US EPA's ToxCast high throughput toxicity testing platform.

Keywords

Cite

@article{arxiv.1702.04775,
  title  = {Bayesian Additive Adaptive Basis Tensor Product Models for Modeling High Dimensional Surfaces: An application to high-throughput toxicity testing},
  author = {Matthew W. Wheeler},
  journal= {arXiv preprint arXiv:1702.04775},
  year   = {2017}
}
R2 v1 2026-06-22T18:19:38.533Z