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cs.LG2025
QE-Catalytic: A Graph-Language Multimodal Base Model for Relaxed-Energy Prediction in Catalytic Adsorption
Yanjie Li, Jian Xu, Xueqing Chen +4
Adsorption energy is a key descriptor of catalytic reactivity. It is fundamentally defined as the difference between the relaxed total energy of the adsorbate-surface system and th…
cs.LG2025
Air Quality Prediction with A Meteorology-Guided Modality-Decoupled Spatio-Temporal Network
Hang Yin, Yan-Ming Zhang, Jian Xu +3
Air quality prediction plays a crucial role in public health and environmental protection. Accurate air quality prediction is a complex multivariate spatiotemporal problem, that in…