@article{seismoincreasingsampleefficiencyinmolecu, title = {SEISMO: Explanation-Aware, Trajectory-Conditioned LLM Agents for Sample-Efficient Molecular Optimisation}, author = {Fabian P. Krüger and Andrea Hunklinger and Adrian Wolny and Tim J. Adler and Igor Tetko and Santiago David Villalba}, year = {2026}, eprint = {2602.00663}, archivePrefix = {arXiv}, url = {https://arxiv.org/abs/2602.00663}, }