SafeMol: Dual-Modality Safety Alignment for Molecular Multimodal Models

While Multimodal Large Language Models (MLLMs) show remarkable advancements, their cross-modal capabilities introduce complex vulnerabilities that easily bypass unimodal filters. Existing benchmarks lack fine-grained intent-related annotations and rely on unidimensional metrics, hindering comprehensive robustness evaluation. To address this, we propose MME-Safety, a rigorously verified benchmark featuring a unique four-dimensional annotation schema that categorizes risk scenarios, harm severity, and modality-specific stealth levels. Furthermore, we introduce a hierarchical evaluation framework to assess fundamental response reliability, actual risk exposure, and the structural integrity of defensive behaviors. Extensive zero-shot evaluations across 17 state-of-the-art MLLMs provide a comprehensive safety profile of current multimodal systems. Our analysis systematically investigates cross-modal input configurations and uncovers safety implications associated with Chain-of-Thought (CoT) reasoning. These multifaceted findings underscore the urgent need for robust, reasoning-aware safety alignment in the multimodal landscape.

Despite remarkable capability in multi-modal understanding, deploying Multi-modal Large Language Models (MLLMs) in open-ended conversational scenarios introduces safety risks that remain poorly addressed by existing alignment methods. Unlike simple malicious visual question and answer (VQA) pairs , multi-turn interactions enable adversaries to incrementally reconstruct harmful intent across dialogues, progressively bypassing safety constraints in ways that are difficult to detect at any individual turn. Meanwhile, conventional reinforcement learning from human feedback (RLHF) approaches are unsuitable for this situation: designed primarily for VQA tasks, they neither capture cross-turn risk dynamics nor scale efficiently without costly manual preference annotation. To close this gap, we introduce \textbf{MINT-Safe}, an open-source visual multi-turn training dataset comprising 11,270 multi-image dialogues and 500 refusal VQA pairs, constructed via multi-agent interaction with text-to-image (T2I) tool-call augmentation. Building on MINT-Safe, we propose \textbf{TAD-Align}, a dialogue safety alignment framework centered on a turn-aware dual-objective reward function. Rather than treating all dialogue turns uniformly, TAD-Align leverages rollout-based safety score variance to dynamically identify turns where the model exhibits inconsistent safety behavior, and adaptively up-weights these turns during optimization. Experiments on Qwen2.5-VL-7B-Instruct and LLaVA-NeXT-7B demonstrate reductions of over 10% in Attack Success Rate (ASR), alongside improvements of at least 8% in harmlessness and 13% in helpfulness on multi-modal multi-turn safety benchmarks, while preserving general model capabilities.

Even modern AI models often remain vulnerable to multimodal queries in which harmful intent is embedded in images. A widely used approach for safety alignment is training with extensive multimodal safety datasets, but the costs of data curation and training are often prohibitive. To mitigate these costs, inference-time alignment has recently been explored, but they often lack generalizability across diverse multimodal jailbreaks and still incur notable overhead due to extra forward passes for response refinement or heavy pre-deployment calibration procedures. Here, we identify insufficient visual attention to safety-critical image regions as one of the key causes of multimodal safety failures. Building on this insight, we propose Multimodal Risk-Adaptive Steering (MoRAS), which enhances safety-critical visual attention via concise visual contexts for accurate multimodal risk assessment. This risk signal enables risk-adaptive steering for direct refusals, reducing inference overhead while remaining generalizable across diverse multimodal jailbreaks. Notably, MoRAS requires only a small calibration set to estimate multimodal risk, substantially reducing pre-deployment overhead. We conduct various empirical validations across multiple benchmarks and MLLM backbones, and observe that the proposed MoRAS consistently mitigates jailbreaks, preserves utility, and reduces computational overhead compared to state-of-the-art inference-time defenses.