@article{integerlinearprogrammingforunsupervised, title = {Integer linear programming for unsupervised training set selection in molecular machine learning}, author = {Matthieu Haeberle and Puck van Gerwen and Ruben Laplaza and Ksenia R. Briling and Jan Weinreich and Friedrich Eisenbrand and Clemence Corminboeuf}, year = {2024}, eprint = {2410.16122}, archivePrefix = {arXiv}, url = {https://arxiv.org/abs/2410.16122v2}, }