Compositional Generalization in Autoregressive Models via Logit Composition

Compositional generalization, the ability to solve complex problems by combining solutions to simpler sub-problems, is a fundamental capability of both natural and artificial intelligence, and a key mechanism underlying chain-of-thought reasoning. However, the theoretical underpinnings of compositional generalization remain poorly understood: when and why does decomposing a problem into parts yield more efficient learning than solving it directly? We study this question through the canonical problem of learning to simulate semiautomata (predicting the outcome of $T$ steps of sequential computation), a model that captures state tracking, regular language recognition, and modular arithmetic. We show that an autocurriculum-based approach building on Part I of this series, recursively decomposing longer sequences into shorter sub-problems, learning to solve them, and composing the solutions, achieves dramatically better statistical complexity than direct methods. (i) For a setting inspired by supervised fine-tuning (SFT) where the learner receives interactive feedback on intermediate states of the computation, curriculum facilitates learning from only $2^{\mathcal{O}(\sqrt{\log T})}$ tokens of supervision; i.e., subpolynomial in the sequence length $T$, overcoming the $Ω(T)$ token barrier required by direct simulation. (ii) For a setting inspired by reinforcement learning with verifiable rewards (RLVR), where the learner improves a pre-trained reference model using an outcome verifier, we show that curriculum reduces the requirement on the reference model from coverage at the full sequence length $T$ to coverage at a shorter block length $B \ll T$, an exponentially weaker condition.

Large language models are able to compose skills in order to perform complex tasks, many of which might not have been seen during training. The details of how exactly this composition occurs remain elusive. In this paper, we study a mechanism for compositional generalization in transformers by considering a simple controlled setting involving variable assignment and modular addition. By partitioning our training data into disjoint sets, we observe that small transformers are able to generalize to previously unseen combinations of variables and numbers. Our mechanistic analysis shows that the same ``modular addition'' MLP module is used whether the inputs are given directly or indirectly through a separate variable assignment mechanism. We also analyze the training dynamics from an empirical lens, which reveals three phases of learning: first, modular addition is learned, then the structure required for variable assignment, and finally a refinement phase where the model generalizes to some hard sequences not seen in training. Finally, we provide a theoretical framework to explain how compositionality emerges from training dynamics. These results suggest that compositional generalization can be a natural consequence of the compositionality of internal mechanisms in~transformers.

A common approach for teaching large language models (LLMs) to reason is to train on chain-of-thought (CoT) traces of in-distribution reasoning problems, but such annotated data is costly to obtain for every problem of interest. We want reasoning models to generalize beyond their training distribution, and ideally to generalize compositionally: combine atomic reasoning skills to solve harder, unseen reasoning tasks. We take a step towards compositional generalization of reasoning skills when addressing a target compositional task that has no labeled CoT data. We find that simply training models on CoT data of atomic tasks leads to limited generalization, but minimally modifying CoT formats of constituent atomic tasks to be composable can lead to improvements. We can train "atomic CoT" models on the atomic tasks with Composable CoT data and combine them with multitask learning or model merging for better zero-shot performance on the target compositional task. Such a combined model can be further bootstrapped on a small amount of compositional data using rejection sampling fine-tuning (RFT). Results on string operations and natural language skill compositions show that training LLMs on Composable CoT outperforms multitask learning and continued fine-tuning baselines within a given training data budget.