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cs.LG2023
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…
cs.LG2023★ 5 cited
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…