The Geometry of Categorical and Hierarchical Concepts in Large Language Models

Abstract

The linear representation hypothesis is the informal idea that semantic concepts are encoded as linear directions in the representation spaces of large language models (LLMs). Previous work has shown how to make this notion precise for representing binary concepts that have natural contrasts (e.g., {male, female}) as directions in representation space. However, many natural concepts do not have natural contrasts (e.g., whether the output is about an animal). In this work, we show how to extend the formalization of the linear representation hypothesis to represent features (e.g., is_animal) as vectors. This allows us to immediately formalize the representation of categorical concepts as polytopes in the representation space. Further, we use the formalization to prove a relationship between the hierarchical structure of concepts and the geometry of their representations. We validate these theoretical results on the Gemma and LLaMA-3 large language models, estimating representations for 900+ hierarchically related concepts using data from WordNet.

Accepted for an oral presentation at ICLR 2025. Best Paper Award at the ICML 2024 Workshop on Mechanistic Interpretability. Code is available at https://github.com/KihoPark/LLM_Categorical_Hierarchical_Representations