Identifying Semantic Component for Robust Molecular Property Prediction

Although graph neural networks have achieved great success in the task of molecular property prediction in recent years, their generalization ability under out-of-distribution (OOD) settings is still under-explored. Most of the existing methods rely on learning discriminative representations for pre...

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Veröffentlicht in:IEEE transactions on pattern analysis and machine intelligence. - 1979. - PP(2025) vom: 13. Aug.
1. Verfasser: Li, Zijian (VerfasserIn)
Weitere Verfasser: Xu, Zunhong, Cai, Ruichu, Yang, Zhenhui, Yan, Yuguang, Hao, Zhifeng, Chen, Guangyi, Zhang, Kun
Format: Online-Aufsatz
Sprache:English
Veröffentlicht: 2025
Zugriff auf das übergeordnete Werk:IEEE transactions on pattern analysis and machine intelligence
Schlagworte:Journal Article