Farther the Shift, Sparser the Representation: Analyzing OOD Mechanisms in LLMs

Abstract: In this work, we investigate how LLMs adapt their internal representations when encountering inputs of increasing difficulty, quantified as the degree of out-of-distribution (OOD) shift. We reveal a consistent and quantifiable phenomenon: as task difficulty increases, whether through harder reasoning questions, longer contexts, or adding answer choices, the last hidden states of LLMs become substantially sparser. In short, \textbf{\textit{the farther the shift, the sparser the representations}}. This sparsity--difficulty relation is observable across diverse models and domains, suggesting that LLMs respond to unfamiliar or complex inputs by concentrating computation into specialized subspaces in the last hidden state. Through a series of controlled analyses with a learning dynamic explanation, we demonstrate that this sparsity is not incidental but an adaptive mechanism for stabilizing reasoning under OOD. Leveraging this insight, we design \textit{Sparsity-Guided Curriculum In-Context Learning (SG-ICL)}, a strategy that explicitly uses representation sparsity to schedule few-shot demonstrations, leading to considerable performance enhancements. Our study provides new mechanistic insights into how LLMs internalize OOD challenges. The source code is available at the URL: https://github.com/MingyuJ666/sparsityLLM.