Mechanistic interpretability (MI) research aims to understand large language models (LLMs) by identifying computational circuits, subgraphs of model components with associated functional interpretations, that explain specific behaviors. Current MI approaches focus on discovering task-specific circuits, which has two key limitations: (1) poor generalizability across different language tasks, and (2) high costs associated with requiring human or advanced LLM interpretation of each computational node. To address these challenges, we propose developing a “modular circuit (MC) vocabulary” consisting of task-agnostic functional units. Each unit consists of a small computational subgraph with its interpretation. This approach enables global interpretability by allowing different language tasks to share common MCs, while reducing costs by reusing established interpretations for new tasks. We establish five criteria for characterizing the MC vocabulary and present ModCirc, a novel global-level mechanistic interpretability framework for discovering MC vocabularies in LLMs. We demonstrate ModCirc’s effectiveness by showing that it can identify modular circuits that perform well on various metrics.

In-Context Learning (ICL) is a technique where large language models (LLMs) leverage multiple demonstrations (i.e., examples) to perform tasks. With the recent expansion of LLM context windows, many-shot ICL (generally with more than 50 demonstrations) can lead to significant performance improvements on a variety of language tasks such as text classification and question answering. Nevertheless, ICL faces the issue of demonstration order instability (ICL-DOI), which means that performance varies significantly depending on the order of demonstrations. Moreover, ICL-DOI persists in many-shot ICL, validated by our thorough experimental investigation. Current strategies for handling ICL-DOI are not applicable to many-shot ICL due to two critical challenges: (1) Most existing methods assess demonstration order quality by first prompting the LLM, then using heuristic metrics based on the LLM's predictions. In the many-shot scenarios, these metrics without theoretical grounding become unreliable, where the LLMs struggle to effectively utilize information from long input contexts, making order distinctions less clear. The requirement to examine all orders for the large number of demonstrations is computationally infeasible due to the super-exponential complexity of the order space in many-shot ICL. To tackle the first challenge, we design a demonstration order evaluation metric based on information theory for measuring order quality, which effectively quantifies the usable information gain of a given demonstration order. To address the second challenge, we propose a hierarchical demonstration order optimization method named \texttt{HIDO} that enables a more refined exploration of the order space, achieving high ICL performance without the need to evaluate all possible orders. Extensive experiments on multiple LLMs and real-world datasets demonstrate that our \texttt{HIDO} method consistently and efficiently outperforms other baselines. Our code project can be found at https://github.com/YinhanHe123/HIDO/.

Chain-of-Thought (CoT) enhances the performance of Large Language Models (LLMs) on reasoning tasks by encouraging step-by-step solutions. However, the verbosity of CoT reasoning hinders its mass deployment in efficiency-critical applications. Recently, implicit CoT approaches have emerged, which encode reasoning steps within LLM's hidden embeddings (termed ``implicit reasoning'') rather than explicit tokens. This approach accelerates CoT reasoning by reducing the reasoning length and bypassing some LLM components. However, existing implicit CoT methods face two significant challenges: (1) they fail to preserve the semantic alignment between the implicit reasoning (when transformed to natural language) and the ground-truth reasoning, resulting in a significant CoT performance degradation, and (2) they focus on reducing the length of the implicit reasoning; however, they neglect the considerable time cost for an LLM to generate one individual implicit reasoning token. To tackle these challenges, we propose a novel semantically-aligned implicit CoT framework termed **SemCoT**. In particular, for the first challenge, we design a contrastively trained sentence transformer that evaluates semantic alignment between implicit and explicit reasoning, which is used to enforce semantic preservation during implicit reasoning optimization. To address the second challenge, we introduce an efficient implicit reasoning generator by finetuning a lightweight language model using knowledge distillation. This generator is guided by our sentence transformer to distill ground-truth reasoning into semantically aligned implicit reasoning, while also optimizing for accuracy. SemCoT is the first approach that enhances CoT efficiency by jointly optimizing token-level generation speed and preserving semantic alignment with ground-truth reasoning. Extensive experiments demonstrate the superior performance of SemCoT compared to state-of-the-art methods in both efficiency and effectiveness. Our code can be found at https://github.com/YinhanHe123/SemCoT/.