10 citations · 15 across the 5 of their papers we have counts for
3 papers · 1 filter
QUBO-inspired Molecular Fingerprint for Chemical Property Prediction
Koichiro Yawata, Yoshihiro Osakabe, Takuya Okuyama +1
Molecular fingerprints are widely used for predicting chemical properties, and selecting appropriate fingerprints is important. We generate new fingerprints based on the assumption…
QUBO Decision Tree: Annealing Machine Extends Decision Tree Splitting
Koichiro Yawata, Yoshihiro Osakabe, Takuya Okuyama +1
This paper proposes an extension of regression trees by quadratic unconstrained binary optimization (QUBO). Regression trees are very popular prediction models that are trainable w…
Proposing Novel Extrapolative Compounds by Nested Variational Autoencoders
Yoshihiro Osakabe, Akinori Asahara
Materials informatics (MI), which uses artificial intelligence and data analysis techniques to improve the efficiency of materials development, is attracting increasing interest fr…