Hanlin Zhu

Tianyu Guo, Hanlin Zhu, Ruiqi Zhang et al.

``Socrates is human. All humans are mortal. Therefore, Socrates is mortal.'' This form of argument illustrates a typical pattern of two-hop reasoning. Formally, two-hop reasoning refers to the process of inferring a conclusion by making two logical steps, each connecting adjacent concepts, such that the final conclusion depends on the integration of both steps. It is one of the most fundamental components of human reasoning and plays a crucial role in both formal logic and everyday decision-making. Despite recent progress in large language models (LLMs), we surprisingly find that they can fail at solving simple two-hop reasoning problems when distractors are present. We observe on a synthetic dataset that pre-trained LLMs often resort to random guessing among all plausible conclusions. However, after few steps of fine-tuning, models achieve near-perfect accuracy and exhibit strong length generalization. To understand the underlying mechanisms, we train a 3-layer Transformer from scratch on a synthetic two-hop reasoning task and reverse-engineer its internal information flow. We observe a clear progression in the attention logits throughout training. This pictures a sharp phase transition from an initial stage of random guessing to the emergence of a structured sequential query mechanism, where the model first retrieves the preceding and the bridge concepts in the early layers and then uses them to infer the final answer. Finally, we show that these dynamics can be captured by a minimal three-parameter attention-only network.

Yixiao Huang, Hanlin Zhu, Tianyu Guo et al.

Large language models (LLMs) can acquire new knowledge through fine-tuning, but this process exhibits a puzzling duality: models can generalize remarkably from new facts, yet are also prone to hallucinating incorrect information. However, the reasons for this phenomenon remain poorly understood. In this work, we argue that both behaviors stem from a single mechanism known as out-of-context reasoning (OCR): the ability to deduce implications by associating concepts, even those without a causal link. Our experiments across five prominent LLMs confirm that OCR indeed drives both generalization and hallucination, depending on whether the associated concepts are causally related. To build a rigorous theoretical understanding of this phenomenon, we then formalize OCR as a synthetic factual recall task. We empirically show that a one-layer single-head attention-only transformer with factorized output and value matrices can learn to solve this task, while a model with combined weights cannot, highlighting the crucial role of matrix factorization. Our theoretical analysis shows that the OCR capability can be attributed to the implicit bias of gradient descent, which favors solutions that minimize the nuclear norm of the combined output-value matrix. This mathematical structure explains why the model learns to associate facts and implications with high sample efficiency, regardless of whether the correlation is causal or merely spurious. Ultimately, our work provides a theoretical foundation for understanding the OCR phenomenon, offering a new lens for analyzing and mitigating undesirable behaviors from knowledge injection.