This perspective article develops a definition of foundational MLIPs and poses six open questions that the authors believe will define future research in machine-learned interatomic potentials.
Understanding virtual nodes: Oversmoothing, oversquashing, and node heterogeneity
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A survey compiling graph rewiring techniques for mitigating over-squashing and over-smoothing in GNNs.
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Six Open Questions in Machine-Learned Interatomic Potential Foundation Models
This perspective article develops a definition of foundational MLIPs and poses six open questions that the authors believe will define future research in machine-learned interatomic potentials.
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Graph Rewiring in GNNs to Mitigate Over-Squashing and Over-Smoothing: A Survey
A survey compiling graph rewiring techniques for mitigating over-squashing and over-smoothing in GNNs.