Bayesian optimization of nanoporous materials

HIGHLIGHTS

• who: Aryan Deshwal and colleagues from the School of Electrical Engineering and Computer Science, Washington State UniversityPullman have published the Article: Bayesian optimization of nanoporous materials, in the Journal: (JOURNAL)
• what: The authors demonstrate BO by searching an open database of ~ 70 000 hypothetical covalent organic frameworks (COFs) for the COF with the highest simulated methane deliverable capacity. The experiment is then conducted on the NPM represented by the leaf node. The authors provide three common examples of acquisition functions and explain how they use the surrogate model to trade-off exploration and exploitation to . . .
  

   

  

  If you want to have access to all the content you need to log in!

  Thanks :)

  Username or E-mail:

  If you don't have an account, you can create one here.