We identify and systematically characterize a class of task-structural alignment failures in large language models (LLMs): even when the harmful intent remains unchanged, changing the task presentation and output constraints can substantially alter model safety behavior. Specifically, when a harmful request is reformulated as a forced-choice multiple-choice question (MCQ) in which all options are harmful and no refusal option is provided, some models that refuse the equivalent open-ended query instead select, prefer, or justify a harmful option. We evaluate 14 proprietary and open-source models on a bilingual Chinese-English human-authored dataset covering five harm categories, together with 900 model-generated Chinese adversarial MCQs. On human-authored data, attack success rate (ASR) increases sharply as prompts shift from open-ended queries to explicit forced-choice formats, typically peaking under intermediate levels of choice constraint. Model-generated Chinese MCQs further weaken or eliminate the recovery regime observed on human-authored data, driving ASR close to saturation for multiple models. The observed transfer patterns are consistent with stronger generators producing more difficult or boundary-adjacent MCQs, although other properties of the generated inputs may also contribute. We also find that adding an explicit refusal option or a safety preamble substantially reduces ASR for several high-capability models, often to near-zero levels, although their effectiveness varies across target models. These findings suggest that safety evaluations centered on open-ended generation may underestimate risks in structured deployment settings, and that task structure should be treated as an important and diagnosable dimension of safety evaluation and alignment training.

We demonstrate that features, rather than neurons, serve as superior analytical units for understanding the mechanisms of factual knowledge in Language Models (LMs). Previous studies primarily utilize MLP neurons as units of analysis; however, neurons suffer from polysemanticity, leading to limited knowledge expression and poor interpretability. We first conduct preliminary experiments to validate that SAE can effectively decompose neurons into features. With this established, our core findings reveal three key advantages of features over neurons: (1) Features exhibit stronger influence on knowledge expression and superior interpretability. (2) Features demonstrate enhanced monosemanticity, showing distinct activation patterns between related and unrelated facts. (3) Feature-based method demonstrates superior performance over neuron-based approaches in erasing privacy-sensitive information from LMs. Additionally, we propose FeatureEdit, the first feature-based editing method. Code and dataset will be available.

Knowledge neuron theory provides a key approach to understanding the mechanisms of factual knowledge in Large Language Models (LLMs), which suggests that facts are stored within multi-layer perceptron neurons. This paper further explores Degenerate Knowledge Neurons (DKNs), where distinct sets of neurons can store identical facts, but unlike simple redundancy, they also participate in storing other different facts. Despite the novelty and unique properties of this concept, it has not been rigorously defined and systematically studied. Our contributions are: (1) We pioneer the study of structures in knowledge neurons by analyzing weight connection patterns, providing a comprehensive definition of DKNs from both functional and structural aspects. (2) Based on this definition, we develop the Neuronal Topology Clustering method, leading to a more accurate DKN identification. (3) We demonstrate the practical applications of DKNs in two aspects: guiding LLMs to learn new knowledge and relating to LLMs’ robustness against input errors.

In this paper, we investigate whether Large Language Models (LLMs) actively recall or retrieve their internal repositories of factual knowledge when faced with reasoning tasks. Through an analysis of LLMs’ internal factual recall at each reasoning step via Knowledge Neurons, we reveal that LLMs fail to harness the critical factual associations under certain circumstances. Instead, they tend to opt for alternative, shortcut-like pathways to answer reasoning questions. By manually manipulating the recall process of parametric knowledge in LLMs, we demonstrate that enhancing this recall process directly improves reasoning performance whereas suppressing it leads to notable degradation. Furthermore, we assess the effect of Chain-of-Thought (CoT) prompting, a powerful technique for addressing complex reasoning tasks. Our findings indicate that CoT can intensify the recall of factual knowledge by encouraging LLMs to engage in orderly and reliable reasoning. Furthermore, we explored how contextual conflicts affect the retrieval of facts during the reasoning process to gain a comprehensive understanding of the factual recall behaviors of LLMs. Code and data will be available soon.