Beam Enumeration: Probabilistic Explainability For Sample Efficient Self-conditioned Molecular Design.

Jeff Guo Philippe Schwaller

Published in: ICLR (2024)

Keyphrases

design process
cost effective
three dimensional
search space
computationally efficient
user interface
design decisions
engineering design
computer aided
computationally expensive
knowledge based systems
probabilistic model
database
bayesian networks
case study
decision trees
neural network
databases
data sets