We study internalization processes, by which neural-network-based systems absorb an explicit computational procedure into their own weights, and how they facilitate learning. We investigate how transformers internalize the simulation of semiautomata by internalizing chain-of-thought (CoT) tokens, which classes of semiautomata are harder to internalize, and expose the flip side of internalization, that is, a progressive degradation of out-of-distribution performance. We then provide the first provable analysis of successful internalization: for the task of learning parities, we show that a simplified one-layer transformer provably first learns the target with explicit CoT supervision and then internalizes the autoregressive generation as CoT tokens are progressively removed, learning to directly compute the parity. This task is computationally hard to learn from data without CoT supervision. Finally, we discuss how learning through internalization relates to the \textit{Positive Distribution Shift} phenomenon recently introduced by~\citet{Med+26}.
Chain-of-Thought (CoT) prompting substantially improves the sample efficiency of transformers, reducing the complexity of tasks like parity learning from exponential to polynomial in the input length. However, generating explicit reasoning steps at inference is computationally expensive. Implicit Chain-of-Thought (ICoT) has emerged as a promising empirical remedy that trains models to internalize intermediate steps within their hidden states, but its theoretical foundations remain poorly understood. We give the first theoretical analysis of ICoT, proving that an L-layer transformer trained under our proposed Log-ICoT curriculum learns k-parity with poly(n) samples and L=log2k training stages. This matches the sample efficiency of explicit CoT while eliminating its inference overhead, and extends prior one-layer parity guarantees to multi-layer architectures. Compared to standard ICoT, which removes thinking tokens one at a time, Log-ICoT removes them in geometric chunks, reducing the number of stages from linear in k to logarithmic. Experiments on multi-layer transformers confirm the theory and visualize how reasoning is progressively absorbed into deeper layers.
Transformers are effective at inferring the latent task from context via two inference modes: recognizing a task seen during training, and adapting to a novel one. Recent interpretability studies have identified from middle-layer representations task-specific directions, or task vectors, that steer model behavior. However, a lack of rigorous foundations hinders connecting internal representations to external model behavior: existing work fails to explain how task-vector geometry is shaped by the training distribution, and what geometry enables out-of-distribution (OOD) generalization. In this paper, we study these questions in a controlled synthetic setting by training small transformers from scratch on latent-task sequence distributions, which allows a principled mathematical characterization. We show that two inference modes can coexist within a single model. In-distribution behavior is governed by Bayesian task retrieval, implemented internally through convex combinations of learned task vectors. OOD behavior, by contrast, arises through extrapolative task learning, whose representations occupy a subspace nearly orthogonal to the task-vector subspace. Taken together, our results suggest that task-vector geometry, training distributions, and generalization behaviors are closely related.
In self-supervised learning, self-distilled methods have shown impressive performance, learning representations useful for downstream tasks and even displaying emergent properties. However, state-of-the-art methods usually rely on ensembles of complex mechanisms, with many design choices that are empirically motivated and not well understood. In this work, we explore the role of self-distillation within learning dynamics. Specifically, we isolate the effect of self-distillation by training a group of randomly initialized networks, removing all other common components such as projectors, predictors, and even pretext tasks. Our findings show that even this minimal setup can lead to learned representations with non-trivial improvements over a random baseline on downstream tasks. We also demonstrate how this effect varies with different hyperparameters and present a short analysis of what is being learned by the models under this setup.
Esteban Rodríguez-Betancourt, Edgar Casasola-Murillo