@article{unsupervisedatomicdataminingviamultikern, title = {Unsupervised Atomic Data Mining via Multi-Kernel Graph Autoencoders for Machine Learning Force Fields}, author = {Hong Sun and Joshua A. Vita and Amit Samanta and Vincenzo Lordi}, year = {2025}, eprint = {2509.12358}, archivePrefix = {arXiv}, url = {https://arxiv.org/abs/2509.12358}, }