Benchmarks and evaluation

Leaderboards, eval harnesses and ablations — the contested business of deciding which model is actually better.

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arXiv AI
Jun 3

GFFMERGE: Efficient Merging of Graph Neural Force Fields and Beyond

arXiv:2606. 03232v1 Announce Type: cross Abstract: Graph Neural Networks (GNNs) have revolutionized Neural Force Fields for atomistic simulations, achieving near-quantum accuracy at reduced cost, yet adapting these models to new chemical systems requires expensive retraining of foundation models.

By Parth Verma, Parv P. Singh, Vipul Garg, Ishita Thakre, N. M. Anoop Krishnan, Sayan Ranu