LLM-based multi-agent systems (MAS) solve complex tasks through inter-agent collaboration, but their communication-driven nature also allows security risks to spread across agents and trigger system-wide failures. Existing MAS defenses mainly follow a reactive paradigm after execution by detecting and isolating harmful agents, which may cause irreversible damage and degrade collaborative utility. To address this, we propose a proactive defense framework for MAS security, namely a Simulation-aware Interception Guard (SAIGuard). SAIGuard performs communication-state simulation over the MAS interaction graph, estimates the impact of incoming messages on local agent states and the global MAS state, and detects risky messages via reconstruction deviations from benign communication patterns. Instead of isolating agents, SAIGuard sanitizes or regenerates suspicious messages before it propagation into system. Experiments across diverse topologies and attack scenarios show that SAIGuard reduces attack success rates while maintaining MAS utility, outperforming reactive defenses.

Although Sparse Autoencoders (SAEs) have mitigated the opacity of large language models (LLMs) by decomposing dense representations into sparse features, explaining these features still remains a central challenge. Current explanation methods, however, typically operate within an open-loop paradigm, failing to leverage mechanistic feedback for further refinement. In this paper, we propose SAEExplainer, a training framework that utilizes activation scores as an objective reward signal to train the model for self-correction and iterative bootstrapping. By iteratively verifying and correcting foundational explanations through a two-round optimization process, SAEExplainer achieves continuous improvement in its explanatory capabilities. This mechanism significantly reduces explanation hallucinations and reinforces causal triggering patterns. Extensive experiments demonstrate our approach improves upon established baselines across most metrics, especially in causal triggering and discriminative activation. The code is available at https://github.com/he-jingyi/SAEExplainer.