Exploring Chemical Space with Score-based Out-of-distribution Generation

Seul Lee, Jaehyeong Jo, Sung Ju Hwang. Exploring Chemical Space with Score-based Out-of-distribution Generation. 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 18872-18892, PMLR, 2023. [doi]

@inproceedings{LeeJH23-0,
  title = {Exploring Chemical Space with Score-based Out-of-distribution Generation},
  author = {Seul Lee and Jaehyeong Jo and Sung Ju Hwang},
  year = {2023},
  url = {https://proceedings.mlr.press/v202/lee23f.html},
  researchr = {https://researchr.org/publication/LeeJH23-0},
  cites = {0},
  citedby = {0},
  pages = {18872-18892},
  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},
}