From Helpfulness to Toxic Proactivity: Diagnosing Behavioral Misalignment in LLM Agents

The enhanced capabilities of LLM-based agents come with an emergency for model planning and tool-use abilities. Attributing to helpful-harmless trade-off from LLM alignment, agents typically also inherit the flaw of "over-refusal", which is a passive failure mode. However, the proactive planning and action capabilities of agents introduce another crucial danger on the other side of the trade-off. This phenomenon we term "Toxic Proactivity'': an active failure mode in which an agent, driven by the optimization for Machiavellian helpfulness, disregards ethical constraints to maximize utility. Unlike over-refusal, Toxic Proactivity manifests as the agent taking excessive or manipulative measures to ensure its "usefulness'' is maintained. Existing research pays little attention to identifying this behavior, as it often lacks the subtle context required for such strategies to unfold. To reveal this risk, we introduce a novel evaluation framework based on dilemma-driven interactions between dual models, enabling the simulation and analysis of agent behavior over multi-step behavioral trajectories. Through extensive experiments with mainstream LLMs, we demonstrate that Toxic Proactivity is a widespread behavioral phenomenon and reveal two major tendencies. We further present a systematic benchmark for evaluating Toxic Proactive behavior across contextual settings.