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David Walz

3 accepted papers

2023

Optimizing over trained GNNs via symmetry breaking

NeurIPS 2023poster

Optimization over trained machine learning models has applications including: verification, minimizing neural acquisition functions, and integrating a trained surrogate into a larger decision-making problem. This paper formulates and solves optimization problems constrained by trained graph neural n…

2022

SnAKe: Bayesian Optimization with Pathwise Exploration

NeurIPS 2022accept

"Bayesian Optimization is a very effective tool for optimizing expensive black-box functions. Inspired by applications developing and characterizing reaction chemistry using droplet microfluidic reactors, we consider a novel setting where the expense of evaluating the function can increase significa…

Cited by 20SourcePDFScholar
2022

Tree ensemble kernels for Bayesian optimization with known constraints over mixed-feature spaces

NeurIPS 2022accept

Tree ensembles can be well-suited for black-box optimization tasks such as algorithm tuning and neural architecture search, as they achieve good predictive performance with little or no manual tuning, naturally handle discrete feature spaces, and are relatively insensitive to outliers in the trainin…