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Main Authors: Yu, Yanke, Li, Jin, Sun, Ying, Li, Ping, Wang, Zhefeng, Zheng, Yi
Format: Preprint
Published: 2026
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Online Access:https://arxiv.org/abs/2603.17823
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author Yu, Yanke
Li, Jin
Sun, Ying
Li, Ping
Wang, Zhefeng
Zheng, Yi
author_facet Yu, Yanke
Li, Jin
Sun, Ying
Li, Ping
Wang, Zhefeng
Zheng, Yi
contents Understanding the internal functional organization of Large Language Models (LLMs) is crucial for improving their trustworthiness and performance. However, how LLMs organize different functions into modules remains highly unexplored. To bridge this gap, we formulate a functional module discovery problem and propose an Unsupervised LLM Cross-layer MOdule Discovery (ULCMOD) framework that simultaneously disentangles the large set of neurons in the entire LLM into modules while discovering the topics of input samples related to these modules. Our framework introduces a novel objective function and an efficient Iterative Decoupling (IterD) algorithm. Extensive experiments show that our method discovers high-quality, disentangled modules that capture more meaningful semantic information and achieve superior performance in various downstream tasks. Moreover, our qualitative analysis reveals that the discovered modules show semantic coherence, correspond to interpretable specializations, and a clear spatial and hierarchical organization within the LLM. Our work provides a novel tool for interpreting the functional modules of LLMs, filling a critical blank in LLM's interpretability research.
format Preprint
id arxiv_https___arxiv_org_abs_2603_17823
institution arXiv
publishDate 2026
record_format arxiv
spellingShingle Discovering Decoupled Functional Modules in Large Language Models
Yu, Yanke
Li, Jin
Sun, Ying
Li, Ping
Wang, Zhefeng
Zheng, Yi
Machine Learning
Computation and Language
Understanding the internal functional organization of Large Language Models (LLMs) is crucial for improving their trustworthiness and performance. However, how LLMs organize different functions into modules remains highly unexplored. To bridge this gap, we formulate a functional module discovery problem and propose an Unsupervised LLM Cross-layer MOdule Discovery (ULCMOD) framework that simultaneously disentangles the large set of neurons in the entire LLM into modules while discovering the topics of input samples related to these modules. Our framework introduces a novel objective function and an efficient Iterative Decoupling (IterD) algorithm. Extensive experiments show that our method discovers high-quality, disentangled modules that capture more meaningful semantic information and achieve superior performance in various downstream tasks. Moreover, our qualitative analysis reveals that the discovered modules show semantic coherence, correspond to interpretable specializations, and a clear spatial and hierarchical organization within the LLM. Our work provides a novel tool for interpreting the functional modules of LLMs, filling a critical blank in LLM's interpretability research.
title Discovering Decoupled Functional Modules in Large Language Models
topic Machine Learning
Computation and Language
url https://arxiv.org/abs/2603.17823