Enhancing Mixture-of-Experts Specialization via Cluster-Aware Upcycling

Mixture-of-Experts (MoE) has become the dominant architecture for scaling large language models: frontier models routinely decouple total parameters from per-token computation through sparse expert routing. Scaling laws show that under fixed active computation, model quality scales predictably with total parameters, and MoEs realize this by increasing expert count. However, training large MoEs is expensive, as memory requirements and inter-device communication both scale with total parameter count. We propose expert upcycling, a method for progressively expanding MoE capacity by increasing the number of experts during continued pre-training (CPT). Given a trained E-expert model, the upcycling operator constructs an mE-expert model through expert duplication and router extension while holding top-K routing fixed, preserving per-token inference cost. Duplication provides a warm initialization: the expanded model inherits the source checkpoint's learned representations, starting from a substantially lower loss than random initialization. Subsequent CPT then breaks the symmetry among duplicated experts to drive specialization. We formalize the upcycling operator and develop a theoretical framework decomposing the quality gap into a capacity term and an initialization term. We further introduce utility-based expert selection, which uses gradient-based importance scores to guide non-uniform duplication, more than tripling gap closure when CPT is limited. In our 7B-13B total parameter experiments, the upcycled model matches the fixed-size baseline on validation loss while saving 32% of GPU hours. Comprehensive ablations across model scales, activation ratios, MoE architectures, and training budgets yield a practical recipe for deploying expert upcycling, establishing it as a principled, compute-efficient alternative to training large MoE models from scratch.

Mixture-of-Experts (MoE) models enable efficient scaling, but training them from scratch remains prohibitively expensive. MoE upcycling mitigates this cost by converting pretrained dense models into sparse MoE models. However, existing upcycling methods typically rely on large-scale continued training and often perform poorly under data-constrained supervised adaptation, due to either homogeneous experts or overly disruptive perturbations to pretrained parameters. In this setting, effective upcycling must leverage pretrained weight structure while introducing sufficient diversity among routed experts. To this end, we propose SVD-Partitioned Residual Initialization (SPRI), which distributes SVD-partitioned residuals derived from pretrained feed-forward network (FFN) weights across routed experts, introducing controlled expert diversity grounded in pretrained spectral structure. We further introduce a two-stage training strategy to improve adaptation stability. We evaluate SPRI on multilingual speech-to-text translation, where limited supervised data challenges MoE upcycling and multiple target languages provide natural routing heterogeneity. On CoVoST2 across 15 En-to-XX directions, SPRI improves average BLEU and COMET over fully fine-tuned dense models by 2.58 and 3.32 points, respectively, and outperforms the prior best MoE upcycling baseline by 3.39 BLEU and 4.34 COMET points.

Mixture-of-Experts (MoE) architectures have become essential for scaling large language models, with recent work demonstrating the benefits of fine-grained expert designs. Training such models from scratch is expensive, and sparse upcycling from pre-trained dense models is an attractive alternative. However, we identify a structural pathology of fine-grained upcycling: when fine-grained experts are derived from a single source model, naive routing collapses and downstream accuracy drops to near-random (e.g., on Qwen3-1.7B, Drop-Upcycling-fine-grained reaches only 23.2% average accuracy across 15 benchmarks, essentially matching from-scratch training at 22.2%, while the same method's coarse-grained variant reaches 50.2%). We propose DivMoE, the first framework achieving fine-grained MoE Upcycling with structurally-balanced routing. DivMoE introduces domain-specialized fine-grained expert initialization, deriving experts from dense models that have undergone domain-adaptive continual pre-training, and diversity-constrained routing, a hard structural constraint guaranteeing that each token activates experts from distinct domain groups. Across two base models and 15 benchmarks, DivMoE consistently outperforms six upcycling baselines (55.6% vs. 51.6% for the strongest baseline on Qwen3-1.7B) and strictly improves over the dense base model on every benchmark after Stage 2 continual pre-training -- closing the regression gap that has plagued prior fine-grained upcycling. After supervised fine-tuning on a public reasoning mixture, our 12B-parameter DivMoE model matches Moonlight-MoE (16B) at 64.5% average accuracy while outperforming a controlled NVIDIA-Upcycling baseline by 6.1 percentage points.