@article{moleculardesignbeyondtrainingdatawithnov, title = {Molecular Design beyond Training Data with Novel Extended Objective Functionals of Generative AI Models Driven by Quantum Annealing Computer}, author = {Hayato Kunugi and Mohsen Rahmani and Yosuke Iyama and Yutaro Hirono and Akira Suma and Matthew Woolway and Vladimir Vargas-Calderón and William Kim and Kevin Chern and Mohammad Amin and Masaru Tateno}, year = {2026}, eprint = {2602.15451}, archivePrefix = {arXiv}, url = {https://arxiv.org/abs/2602.15451}, }