Data distribution matters: enhancing model generalization in datadriven materials discovery by intentionally exploiting both positive and negative data
Yiheng Wu, Lijun Liu, Wei Deng, Haodong Jiang, Ruotong Li, Ming Hu, Bo Peng, Dapeng Wang
Acta Phys. -Chim. Sin. . 2026, (): 100291 .  DOI: 10.1016/j.actphy.2026.100291