A Theoretical Interpretation of In-Context Learning via Probabilistic Modeling

While many-shot ICL achieves remarkable performance, prior studies of its scaling behavior have mainly focused on non-reasoning tasks. In this work, we study many-shot ICL on reasoning tasks, with a particular focus on many-shot chain-of-thought in-context learning (CoT-ICL). Analyzing across non-reasoning and reasoning tasks and across non-reasoning and reasoning-oriented LLMs, we identify several distinctive properties of many-shot CoT-ICL. We further interpret these findings by viewing many-shot CoT-ICL as in-context test-time learning rather than scaled pattern matching, and suggest two principles: (i) demonstrations should be easy for the target model to understand, and (ii) they should be ordered to support a smooth conceptual progression. Guided by the principle, we propose Curvilinear Demonstration Selection (CDS), a simple ordering method that yields up to a 5.42 percentage-point gain on a math task with 64 demonstrations. Overall, our results reframe the long context window from a retrieval buffer into a structured curriculum for in-context test-time learning.

Large language models (LLMs) trained on next-token prediction exhibit remarkable in-context learning (ICL) abilities, yet the representations that support ICL remain poorly understood. We consider such representations in a controlled setting: prompting LLMs with data emitted from hidden Markov models (HMMs) and probing for the corresponding belief state -- the posterior distribution over the HMM's hidden states given the observed token history. Across six open-source LLMs prompted with data from 40 HMMs selected for non-trivial belief structure, we find that belief states are linearly decodable from residual stream activations, with peak probe $R^2$-values from 0.83-0.99 across HMM and LLM combinations, ranging from early to late layers. To establish functional relevance, we intervene directly on the probe-identified subspace via patching and steering, resulting in downstream prediction quality on the order of the untampered model, while controls degrade performance substantially. Together, these results provide representation-level evidence that ICL in open-source LLMs approximates optimal Bayesian prediction over a context-inferred generative model. More broadly, our findings extend prior results linking input-distribution structure to activation geometry: from toy networks trained explicitly on HMM data to production-scale LLMs.

The factors driving the performance of in-context learning (ICL) in large language models (LLMs) remain poorly understood despite ICL's surprising effectiveness, enabling models to adapt to new tasks from only a handful of examples. To clarify and improve these capabilities, we characterize how the statistical properties of the pretraining distribution (e.g., tail behavior, coverage) shape ICL. We develop a theoretical framework that encompasses generalization and task selection and show how distributional properties govern sample efficiency, task retrieval, and robustness. To this end, we generalize existing concentration results to heavy-tailed priors and dependent sequences, better reflecting the structure of LLM pretraining data. Our framework reveals a fundamental design trade-off: heavy-tailed pretraining distributions facilitate robust task selection under distribution shifts but are detrimental to generalization, especially in low-data regimes. We then empirically evaluate our predictions by studying how ICL performance varies with the pretraining distribution on challenging tasks such as stochastic differential equations and stochastic processes with memory. Together, these findings suggest that controlling key statistical properties of the pretraining distribution is essential for building ICL-capable and reliable LLMs.