Biases in Evaluation of Molecular Optimization Methods and Bias Reduction Strategies

Hiroshi Kajino, Kohei Miyaguchi, Takayuki Osogami. Biases in Evaluation of Molecular Optimization Methods and Bias Reduction Strategies. In Andreas Krause 0001, Emma Brunskill, KyungHyun Cho, Barbara Engelhardt, Sivan Sabato, Jonathan Scarlett, editors, International Conference on Machine Learning, ICML 2023, 23-29 July 2023, Honolulu, Hawaii, USA. Volume 202 of Proceedings of Machine Learning Research, pages 15567-15585, PMLR, 2023. [doi]

@inproceedings{KajinoMO23,
  title = {Biases in Evaluation of Molecular Optimization Methods and Bias Reduction Strategies},
  author = {Hiroshi Kajino and Kohei Miyaguchi and Takayuki Osogami},
  year = {2023},
  url = {https://proceedings.mlr.press/v202/kajino23a.html},
  researchr = {https://researchr.org/publication/KajinoMO23},
  cites = {0},
  citedby = {0},
  pages = {15567-15585},
  booktitle = {International Conference on Machine Learning, ICML 2023, 23-29 July 2023, Honolulu, Hawaii, USA},
  editor = {Andreas Krause 0001 and Emma Brunskill and KyungHyun Cho and Barbara Engelhardt and Sivan Sabato and Jonathan Scarlett},
  volume = {202},
  series = {Proceedings of Machine Learning Research},
  publisher = {PMLR},
}