Transformers learn variable-order Markov chains in-context (2410.05493v1)

Abstract: LLMs have demonstrated impressive in-context learning (ICL) capability. However, it is still unclear how the underlying transformers accomplish it, especially in more complex scenarios. Toward this goal, several recent works studied how transformers learn fixed-order Markov chains (FOMC) in context, yet natural languages are more suitably modeled by variable-order Markov chains (VOMC), i.e., context trees (CTs). In this work, we study the ICL of VOMC by viewing LLMing as a form of data compression and focus on small alphabets and low-order VOMCs. This perspective allows us to leverage mature compression algorithms, such as context-tree weighting (CTW) and prediction by partial matching (PPM) algorithms as baselines, the former of which is Bayesian optimal for a class of CTW priors. We empirically observe a few phenomena: 1) Transformers can indeed learn to compress VOMC in-context, while PPM suffers significantly; 2) The performance of transformers is not very sensitive to the number of layers, and even a two-layer transformer can learn in-context quite well; and 3) Transformers trained and tested on non-CTW priors can significantly outperform the CTW algorithm. To explain these phenomena, we analyze the attention map of the transformers and extract two mechanisms, on which we provide two transformer constructions: 1) A construction with $D+2$ layers that can mimic the CTW algorithm accurately for CTs of maximum order $D$, 2) A 2-layer transformer that utilizes the feed-forward network for probability blending. One distinction from the FOMC setting is that a counting mechanism appears to play an important role. We implement these synthetic transformer layers and show that such hybrid transformers can match the ICL performance of transformers, and more interestingly, some of them can perform even better despite the much-reduced parameter sets.