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This paper provides the first formal theoretical proof explaining how Mixture-of-Experts (MoE) transformers route queries to task-specific experts using discrete language models, bridging a critical gap between empirical observations and mathematical rigor. By demonstrating that expert size scales with intrinsic task complexity rather than continuous approximations, it offers new insights into optimizing inference efficiency for frontier AI systems.
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A theoretical model for task routing in mixture-of-expert transformers

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arXiv:2606.14398v2 Announce Type: replace Abstract: Mixture-of-experts (MoE) layers enable the scaling of transformer models while keeping the inference compute fixed. While task-expert specialization has been observed in empirical studies of frontier MoE transformer models, existing theoretical work analyzes this using continuous mixture models that cannot be used to model natural language effectively. An important open question is to \textit{theoretically explain task-expert specialization in transformer MoE models using discrete models of language}. To address this, we represent structured knowledge via syntactic templates and finite key-value dictionaries, and prove formally that a single-layer MoE transformer can encode knowledge by using experts that specialize in the corresponding tasks. Our construction shows how queries are routed to unique, task-specific experts whose size depends solely on the intrinsic complexity of the given task (i.e. the combined size of its syntactic templates and factual dictionary). Our construction provides a theoretical support for empirical results on localized knowledge circuits in MoE models. We support our theoretical findings with experiments evaluating model performance under varying MoE loss functions.

Abstract:Mixture-of-experts (MoE) layers enable the scaling of transformer models while keeping the inference compute fixed. While task-expert specialization has been observed in empirical studies of frontier MoE transformer models, existing theoretical work analyzes this using continuous mixture models that cannot be used to model natural language effectively. An important open question is to \textit{theoretically explain task-expert specialization in transformer MoE models using discrete models of language}. To address this, we represent structured knowledge via syntactic templates and finite key-value dictionaries, and prove formally that a single-layer MoE transformer can encode knowledge by using experts that specialize in the corresponding tasks. Our construction shows how queries are routed to unique, task-specific experts whose size depends solely on the intrinsic complexity of the given task (i.e. the combined size of its syntactic templates and factual dictionary). Our construction provides a theoretical support for empirical results on localized knowledge circuits in MoE models. We support our theoretical findings with experiments evaluating model performance under varying MoE loss functions.

Machine Learning (cs.LG)

I.2.7; I.2.6; I.2.4

arXiv:2606.14398 [cs.LG]

(or arXiv:2606.14398v2 [cs.LG] for this version)

https://doi.org/10.48550/arXiv.2606.14398 Focus to learn more arXiv-issued DOI via DataCite

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