Provable Knowledge Acquisition and Extraction in One-Layer Transformers

TL;DR

This paper provides a theoretical analysis of how one-layer transformers acquire and extract factual knowledge, revealing the conditions under which facts are stored and retrieved, and explaining hallucination phenomena.

Contribution

It introduces a formal framework for understanding knowledge acquisition and extraction in simplified transformer models, linking pre-training, fine-tuning, and factual recall mechanisms.

Findings

Pre-training learns structured attention and relation-specific features.

Fine-tuning can trigger fact extraction without revisiting all subject-answer pairs.

Knowledge extraction depends on relation coverage and pre-training multiplicity.

Abstract

Large language models may encounter factual knowledge during pre-training yet fail to reliably use that knowledge after fine-tuning. Despite growing empirical evidence that MLP layers store factual associations and fine-tuning affects factual recall, the training-dynamics mechanisms linking next-token pre-training, knowledge storage, and post-fine-tuning extraction remain poorly understood. We study this problem in a stylized one-layer transformer with self-attention and MLP modules, trained by next-token prediction and subsequently fine-tuned on question-answering data. Under suitable regularity conditions, we first prove that the model reaches near-optimal pre-training loss while learning structured attention patterns and relation-specific feature directions, giving a mechanism for factual knowledge acquisition. We then show that fine-tuning can turn the Q&A prompt format into a trigger for pre-trained relation features, enabling the model to extract facts that are not revisited during fine-tuning. Our analysis yields a relation-covering characterization of knowledge extraction: fine-tuning need not revisit every stored subject-answer pair, but it must cover enough latent relation-template directions through which facts were encoded during pre-training. Consequently, extraction improves with pre-training multiplicity and fine-tuning coverage, but becomes harder as the relation-template universe grows. Conversely, insufficient coverage leads to a failure regime in which facts may be stored but remain inaccessible, providing a stylized mechanism for hallucination. The theory applies to both full and low-rank fine-tuning, offering insight into why low-rank adaptation can recover pre-trained factual knowledge when relation coverage is sufficient. Experiments on synthetic data and PopQA-based GPT-2/Llama models support the predicted trends.