A new diagnostic reveals that L=2 equivariant force field backbones preserve frequencies up to l=4 but collapse at l=5 on aspirin, consistent with a finite-degree span theorem and controls.
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Diagnosing Spectral Ceilings in Equivariant Neural Force Fields
A new diagnostic reveals that L=2 equivariant force field backbones preserve frequencies up to l=4 but collapse at l=5 on aspirin, consistent with a finite-degree span theorem and controls.