Felix Strieth-Kalthoff
@felix-s-k.bsky.social
Assistant Professor of Digital Chemistry (@uni-wuppertal.bsky.social) – building digital tools for synthesis and catalysis. Former: U Toronto (Postdoc) | U Münster (PhD) | MIT (Visiting Researcher)
https://fsk-lab.github.io
https://fsk-lab.github.io
Lastly, a huge thanks to Mohammad and Leonie for making it happen!
January 29, 2025 at 6:23 AM
Lastly, a huge thanks to Mohammad and Leonie for making it happen!
The code is available at github.com/fsk-lab/botier, and it can be directly installed from #pip. pypi.org/project/boti... . Feel free to give it a try, and leave any feedback!
GitHub - fsk-lab/botier: Bayesian Optimization with multiple tiers of objectives, which can flexibly depend on model inputs and outputs
Bayesian Optimization with multiple tiers of objectives, which can flexibly depend on model inputs and outputs - fsk-lab/botier
github.com
January 29, 2025 at 6:23 AM
The code is available at github.com/fsk-lab/botier, and it can be directly installed from #pip. pypi.org/project/boti... . Feel free to give it a try, and leave any feedback!
...and their hierarchy in a modular fashion – and has helped us in practical optimization problems already. It's fully auto-differentiable, and can be used as a composite objective with #botorch, which gives a big boost in optimization efficiency (check the paper for systematic benchmarks).
January 29, 2025 at 6:23 AM
...and their hierarchy in a modular fashion – and has helped us in practical optimization problems already. It's fully auto-differentiable, and can be used as a composite objective with #botorch, which gives a big boost in optimization efficiency (check the paper for systematic benchmarks).
In the lab, we often face multi-objective problems, where objectives come as preferences over both the outcomes of an experiment (e.g. maximize the yield of a reaction) and experiment inputs (e.g. minimize the load of an expensive catalyst). BoTier helps you to express these preferences ...
January 29, 2025 at 6:23 AM
In the lab, we often face multi-objective problems, where objectives come as preferences over both the outcomes of an experiment (e.g. maximize the yield of a reaction) and experiment inputs (e.g. minimize the load of an expensive catalyst). BoTier helps you to express these preferences ...