Redundancy Meets Synergy: Dependency-aware Expert Selection for MoE via Submodular Optimization

Mixture-of-Experts (MoE) models have become a leading approach for decoupling parameter count from computational cost in large language models, yet effectively scaling MoE performance remains a challenge. Prior work shows that fine-grained experts enlarge the space of expert combinations and improve flexibility, but they also impose substantial routing overhead, creating a new scalability bottleneck. In this paper, we explore a complementary axis for scaling -- how expert outputs are aggregated. We theoretically show that replacing the standard weighted-summation aggregation with structural aggregation expands the expert-combination space without altering the experts or router, and enables possible multi-step reasoning within a single MoE layer. To this end, we propose DAG-MoE, a sparse MoE framework that employs a lightweight module to automatically learn the optimal aggregation structure among the selected experts. Extensive experiments under standard language modeling settings show that DAG-MoE consistently improves performance in both pretraining and fine-tuning, surpassing traditional MoE baselines.

Mixture-of-Experts (MoE) models scale by activating only a small subset of experts per token. However, training such models remains challenging because top-$k$ routing is discrete and non-differentiable, requiring gradient estimators for expert selection whose design remains a central open problem. We introduce ProbMoE, a probabilistic routing framework that models expert selection as a distribution over cardinality-constrained expert subsets and formulates routing as probabilistic inference in this discrete subset space. We first propose ProbMoE Exact-$k$ routing, which samples $k$-expert subsets in the forward pass, and the backward pass uses gradients through each expert's exact marginal probability as a tractable surrogate for the true gradient. ProbMoE naturally generalizes to a dynamic-$k$ routing setting, where both training and inference constrain the routing cardinality to the same predefined range, allowing adaptive expert allocation per token. Across benchmarks and model backbones, ProbMoE Exact-$k$ achieves strong performance compared to competitive baselines, with improved expert utilization and routing diversity; ProbMoE Dynamic-$k$ achieves comparable performance with fewer activated experts.

Mixture-of-experts (MoE) models have recently moved beyond routing a fixed number of complete experts. Shared-expert designs preserve reusable knowledge, fine-grained methods vary computation within experts, and dynamic routers adapt the number of active experts. Yet these decisions are usually made independently, overlooking a basic dependency: extracting reusable computation changes both what remains and how much expert capacity the remainder needs. We study this dependency by decomposing sparsely upcycled feed-forward experts into key-value channels. Co-activated experts align at a subset of value positions; removing these positions changes expert preference; and greater shared coverage is associated with lower residual expert demand. These observations lead to one principle: share first, then route what remains. We instantiate it in UniF-MoE, a unified framework for token-adaptive MoE computation. Each expert is partitioned into aligned blocks. A shared-demand score sets the shared block count and pathway weight, key prototypes select the shared content, and the complementary demand determines the residual expert count through cumulative routing mass. A Gram regularizer separates and normalizes router embeddings, promoting diverse routing directions, sparse expert overlap, and a simple routing geometry. Experiments on DomainBed and GLUE show that this unified design improves predictive performance over representative static and dynamic MoEs while reducing activated computation, inference latency, and memory. Code is available at https://github.com/existence0420/UniF-MoE.