MLLMs Fail to Refuse when Using Tools Agentically

Large language models (LLMs) are increasingly deployed with access to external tools, yet harmful tool-mediated interactions are less likely to be refused when compared to regular conversational ones. As this change in refusal behavior remains underexplored, we investigate its underlying mechanisms across a diverse set of open-weight language models. We find that information about the harmfulness of a request remains strongly encoded in the model's representations and transfers across conversational and tool-mediated inputs. Evidence from representation geometry and neuron-level analysis further indicates that the two interaction modes systematically distribute harm-related computation differently. Crucially, while conversational inputs can be refused at relatively low levels of perceived harmfulness, tool-mediated inputs remain permissive until harmfulness crosses a substantially higher effective refusal threshold. Moreover, tool-mediated refusal is also more brittle: progressively weakening the refusal computation disrupts tool-mediated refusal at lower intervention strengths than conversational refusal, even when benign capabilities remain intact. Together, our findings indicate that tool mediation does not simply reduce the internal perception of harm, but instead impacts its conversion into refusal. Overall, this suggests tool-mediated environments may intrinsically reduce robustness of models to harmful requests, and that conventional safety evaluations may not fully transfer to LLM agents.

Large language models increasingly act as agents that call external tools, yet most tool-safety research examines only what follows a tool call. The prior decision of whether to call the tool remains largely unexamined and can influence downstream safety. Across the seven open-weight models, the unweighted model-average harm rate after admitted harmful requests is 74.5%. To identify what governs this decision, we apply a factorial intervention to the input request. Within our generated construction, neutralizing the requested-operation component produces the largest admission contrast (19 pp). A linear direction estimated from this contrast influences held-out admission in four of seven models; effects on operation-neutralized requests in some models show that it is not an operation-specific mechanism. We then test whether written refusal is behaviorally and representationally coupled to the same decision. Written refusal accompanies 33.6% of admitted harmful calls. Plain-text refusal training reduces unsafe admission in models that retain benign tool use, showing that response-level safety training can transfer to the call decision. Together, these results establish a partial, model-dependent relation between written refusal and tool admission. They motivate direct evaluation and supervision of tool admission rather than treating text refusal as its proxy.

Safety alignment for large language models (LLMs) in conversational settings is largely framed around whether to answer or refuse a request. In agentic settings, however, the same models must decide whether to act as permission-critical evidence emerges during execution. This creates a distinct challenge: apparent risk, action permissibility, and task competence are easily confounded, making agentic over-refusal difficult to distinguish from ordinary task failure. To address this, we introduce AgentBound, the first four-way counterfactual generation-and-evaluation framework for tool-using agent safety. AgentBound transforms the same executable workflow by independently varying apparent risk and action permissibility, enabling controlled comparisons of risky-looking but authorized tasks and routine-looking but unauthorized tasks. These comparisons jointly diagnose over-refusal and unsafe compliance while controlling for task competence. We instantiate AgentBound as a human-validated 4,000-task evaluation suite with trajectory-based and post-state-based judgments. Across 17 model and harness configurations, high safety frequently coexists with poor authorized-task completion: GPT-5.5 blocks 99.5% of routine-looking unauthorized actions yet completes only 28.7% of risky-looking authorized tasks. We further train a lightweight runtime calibration module that improves authorized-task completion by 18.2% on average across 10 evaluated configurations, while improving unsafe-action blocking by 5.4% on average. These show that effective agentic alignment requires action decisions to track permission-relevant execution evidence, rather than refusal strength alone.