A Mechanistic Study of Transformers Training Dynamics

This paper studies simple transformers trained on a high-order Markov chain, where the model must incorporate information from multiple past positions, each with different statistical importance. We show that transformers learn the task incrementally, with each stage corresponding to learning how to copy information from a subset of positions via a sparse attention pattern. Notably, the learning dynamics transition from a competitive phase, where all heads focus on the statistically most important positions, to a cooperative phase, where different heads specialize in different patterns. We model these dynamics with simplified differential equations and prove stage-wise convergence of the resulting system. Functionally, these stages correspond to a sequence of increasingly expressive misspecified models, with the full model class reached only at the end. Overall, we give a theoretical account of how structured attention patterns and head specialization emerge in stages without an explicit curriculum, with implications for generalization in sequential tasks.

Transformers perform inference by iteratively transforming token representations across layers. This layerwise computation has been studied empirically, and recent mean-field theories of Transformer dynamics explain how attention can drive token distributions toward clustering. However, existing mean-field analyses largely treat model parameters as prescribed, leaving open how training reshapes this clustering picture. We study this question in a noisy mean-field Transformer in which only a parameter-linear FFN is trained under $L^2$ regularization. We find and analyze a training-induced phase in the dynamics: after initially following attention-driven clustering, the token distribution can leave the clustered regime near the final layers. Our mathematical analysis is based on an entropy-regularized interaction energy that captures the clustering bias of attention. More broadly, our results point toward a training-aware mean-field theory of Transformer dynamics, in which training and inference dynamics are treated together.

Transformer-based models have achieved remarkable success across a wide range of domains, yet our understanding of their training dynamics remains limited. In this work, we identify a recurrent focus-dilution cycle in attention learning and provide a rigorous explanation in a one-layer Transformer setting for Markovian data via gradient-flow analysis. Using stage-wise linearization around critical points, we show that a single focus-dilution cycle can be decomposed into a sequence of distinct stages. First, embedding and projection rapidly condense to a rank-one structure, while attention parameters remain effectively frozen. Then, the attention parameters begin to increase, inducing a frequency-driven focus toward high-frequency tokens. As attention continues to evolve, it generates next-order perturbations in embeddings, leading to a mass-redistribution mechanism that progressively dilutes this focus. Finally, small asymmetries among low-frequency tokens lift a degenerate critical point, opening new embedding directions and initiating the next cycle. Experiments on synthetic Markovian data as well as WikiText and TinyStories corroborate the predicted stages and cyclical dynamics.