Scaling Probabilistic Transformer via Efficient Cross-Scale Hyperparameter Transfer

Modern large-scale neural networks are often trained and released in multiple sizes to accommodate diverse inference budgets. To improve efficiency, recent work has explored model upscaling: initializing larger models from trained smaller ones to accelerate convergence. However, this method can be sensitive to hyperparameters that need to be tuned at the target upscaled model size, which is prohibitively costly to do directly. It remains unclear whether tuning hyperparameters on smaller models and extrapolating via scaling laws is sound in this setting. We address this with principled approaches to width-based upscaling and efficient hyperparameter tuning in this setting. Motivated by $μ$P and any-dimensional architectures, we introduce a general upscaling method that, like Net2Net, copies and perturbs weights, but uses theoretically grounded, width-dependent scalings for the perturbation noise and optimizer hyperparameters. First, we prove that under zero perturbation, the upscaled model is functionally equivalent to the base model throughout training. Second, we extend the $μ$P theory to enable infinite-width limit analysis and establish hyperparameter transfer for upscaled models, greatly reducing the tuning cost. We empirically demonstrate that this method is effective on realistic datasets and architectures.

Hyperparameter transfer allows extrapolating optimal optimization hyperparameters from small to large scales, making it critical for training large language models (LLMs). This is done either by fitting a scaling law to the hyperparameters or by a judicious choice of parameterization, such as Maximal Update ($μ$P), that renders optimal hyperparameters approximately scale invariant. In this paper, we first develop a framework to quantify hyperparameter transfer through three metrics: (1) the quality of the scaling law fit, (2) the robustness to extrapolation errors, and (3) the asymptotic loss penalty due to choice of parameterization. Next, we investigate through a comprehensive series of ablations why $μ$P appears to offer high-quality learning rate transfer relative to standard parameterization (SP), as existing theory is inadequate. We find that the overwhelming benefit of $μ$P relative to SP when training with AdamW arises simply from maximizing the learning rate of the embedding layer. In SP, the embedding layer learning rate acts as a bottleneck that induces training instabilities; increasing it by a factor of width to match $μ$P dramatically smooths out training while improving hyperparameter transfer. We also find that weight decay improves the scaling law fits, while, in the fixed token-per-parameter setting, it hurts the robustness of the extrapolation.

Scaling a language model is not only a question of final quality: the architectural choice determines how much computation is spent during training, prompt processing, and autoregressive decoding to achieve certain model quality. An ideal model architecture should lower all above computation costs to facilitate scaling to a larger model, while ensure the larger model indeed outperforms smaller baselines. We introduce KV-Invariant Transformer Expansion (KITE), a scaling paradigm that achieves this goal. It trains the model from a smaller size to a larger size (i.e., saving training costs via upcycling), while places newly added parameters in regions that do not affect attention KV. Consequently, during inference, prefilling KV only relies on the smaller part of the model, so the inference costs are saved. As a concrete instantiation, we present Step Scale Transformer (SST), a two-tower decoder in which one tower produces KV and the other reads them. At comparable cumulative training compute, SST, a 67B MoE model with 2.15B active body parameters per decode token, achieves lower training loss than 47B and 63B MoE Transformers with 1.48B and 2.02B active body parameters, respectively, while reducing estimated inference cost by 6.7% and 31.6%.