AI RESEARCH
When Does Global Attention Help? A Unified Empirical Study on Atomistic Graph Learning
arXiv CS.LG
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ArXi:2510.05583v2 Announce Type: replace Graph neural networks (GNNs) are widely used as surrogates for costly experiments and first-principles simulations to study the behavior of compounds at atomistic scale, and their architectural complexity is constantly increasing to enable the modeling of complex physics.