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This research establishes a fundamental theoretical limit for equivariant multi-head self-attention (MHSA), proving that fixed architectures cannot universally cover all equivariant maps due to inherent expressivity loss in the parameter space. The study reveals that achieving exact symmetry constraints forces the model into specific algebraic components, significantly restricting its ability to represent diverse equivariant functions compared to unconstrained approaches. This finding is critical for researchers designing geometric deep learning models, as it dictates architectural trade-offs between strict symmetry enforcement and functional capacity.
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No Equivariant Architecture Covers All Equivariant Attention

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arXiv:2608.30417v1 Announce Type: new Abstract: We give a complete characterization of equivariant multi-head self-attention (MHSA): if an MHSA layer is equivariant to a symmetry group $G$, then $G$ can only act by permuting head-clusters, with QK and OV matrices satisfying an equivariance constraint tied to the group action. As a consequence, we prove that any fixed MHSA architecture that achieves exact equivariance by polynomially parameterizing unconstrained MHSA parameters inevitably leads to expressivity loss within the class of equivariant maps: the equivariance locus of unconstrained MHSA forms a union of extremely many Zariski-irreducible components in a reduced parameter space, and any single architecture covers at most one. For $G=D_4$ acting on $C$ copies of the regular representation as the token feature space, we show that there are $\Omega(C^{64})$ components for eight attention heads.

Abstract:We give a complete characterization of equivariant multi-head self-attention (MHSA): if an MHSA layer is equivariant to a symmetry group $G$, then $G$ can only act by permuting head-clusters, with QK and OV matrices satisfying an equivariance constraint tied to the group action. As a consequence, we prove that any fixed MHSA architecture that achieves exact equivariance by polynomially parameterizing unconstrained MHSA parameters inevitably leads to expressivity loss within the class of equivariant maps: the equivariance locus of unconstrained MHSA forms a union of extremely many Zariski-irreducible components in a reduced parameter space, and any single architecture covers at most one. For $G=D_4$ acting on $C$ copies of the regular representation as the token feature space, we show that there are $\Omega(C^{64})$ components for eight attention heads.

Machine Learning (cs.LG); Algebraic Geometry (math.AG); Representation Theory (math.RT)

arXiv:2608.30417 [cs.LG]

(or arXiv:2608.30417v1 [cs.LG] for this version)

https://doi.org/10.48550/arXiv.2608.30417 Focus to learn more arXiv-issued DOI via DataCite (pending registration)

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