Multi-Objective Constrained Optimization for Energy Applications via Tree Ensembles. - Alexander Thebelt; Calvin Tsay; Robert M. Lee; Nathan Sudermann-Merx; David Walz; Tom Tranter; Ruth Misener (CoRR, 2021)

SnAKe: Bayesian Optimization with Pathwise Exploration. - Jose Pablo Folch; Shiqiang Zhang; Robert M. Lee; Behrang Shafei; David Walz; Calvin Tsay; Mark van der Wilk; Ruth Misener (NeurIPS, 2022)

Tree ensemble kernels for Bayesian optimization with known constraints over mixed-feature spaces. - Alexander Thebelt; Calvin Tsay; Robert M. Lee; Nathan Sudermann-Merx; David Walz; Behrang Shafei; Ruth Misener (NeurIPS, 2022)

Optimizing over trained GNNs via symmetry breaking. - Shiqiang Zhang; Juan S. Campos; Christian Feldmann; David Walz; Frederik Sandfort; Miriam Mathea; Calvin Tsay; Ruth Misener (NeurIPS, 2023)

Practical Path-based Bayesian Optimization. - Jose Pablo Folch; James Odgers; Shiqiang Zhang; Robert M. Lee; Behrang Shafei; David Walz; Calvin Tsay; Mark van der Wilk; Ruth Misener (CoRR, 2023)

Combining multi-fidelity modelling and asynchronous batch Bayesian Optimization. - Jose Pablo Folch; Robert M. Lee; Behrang Shafei; David Walz; Calvin Tsay; Mark van der Wilk; Ruth Misener (Comput. Chem. Eng., 2023)

BoFire: Bayesian Optimization Framework Intended for Real Experiments. - Johannes P. Dürholt; Thomas S. Asche; Johanna Kleinekorte; Gabriel Mancino-Ball; Benjamin Schiller; Simon Sung; Julian Keupp; Aaron Osburg; Toby Boyne; Ruth Misener; Rosona Eldred; Wagner Steuer Costa; et al. (CoRR, 2024)

Dependence in constrained Bayesian optimization. - Shiqiang Zhang; Robert M. Lee; Behrang Shafei; David Walz; Ruth Misener (Optim. Lett., 2024)

CarAT: Carbon Atom Tracing across Industrial Chemical Value Chains via Chemistry Language Models. - Emma Pajak; David Walz; Olga Walz; Laura Marie Helleckes; Klaus Hellgardt; Antonio del Rio-Chanona (CoRR, 2025)