Dongrui Liu
Publications
SafeSci: Safety Evaluation of Large Language Models in Science Domains and Beyond
The success of large language models (LLMs) in scientific domains has heightened safety concerns, prompting numerous benchmarks to evaluate their scientific safety. Existing benchmarks often suffer from limited risk coverage and a reliance on subjective evaluation. To address these problems, we introduce SafeSci, a comprehensive framework for safety evaluation and enhancement in scientific contexts. SafeSci comprises SafeSciBench, a multi-disciplinary benchmark with 0.25M samples, and SafeSciTrain, a large-scale dataset containing 1.5M samples for safety enhancement. SafeSciBench distinguishes between safety knowledge and risk to cover extensive scopes and employs objective metrics such as deterministically answerable questions to mitigate evaluation bias. We evaluate 24 advanced LLMs, revealing critical vulnerabilities in current models. We also observe that LLMs exhibit varying degrees of excessive refusal behaviors on safety-related issues. For safety enhancement, we demonstrate that fine-tuning on SafeSciTrain significantly enhances the safety alignment of models. Finally, we argue that knowledge is a double-edged sword, and determining the safety of a scientific question should depend on specific context, rather than universally categorizing it as safe or unsafe. Our work provides both a diagnostic tool and a practical resource for building safer scientific AI systems.
Interpreting Emergent Extreme Events in Multi-Agent Systems
Large language model-powered multi-agent systems have emerged as powerful tools for simulating complex human-like systems. The interactions within these systems often lead to extreme events whose origins remain obscured by the black box of emergence. Interpreting these events is critical for system safety. This paper proposes the first framework for explaining emergent extreme events in multi-agent systems, aiming to answer three fundamental questions: When does the event originate? Who drives it? And what behaviors contribute to it? Specifically, we adapt the Shapley value to faithfully attribute the occurrence of extreme events to each action taken by agents at different time steps, i.e., assigning an attribution score to the action to measure its influence on the event. We then aggregate the attribution scores along the dimensions of time, agent, and behavior to quantify the risk contribution of each dimension. Finally, we design a set of metrics based on these contribution scores to characterize the features of extreme events. Experiments across diverse multi-agent system scenarios (economic, financial, and social) demonstrate the effectiveness of our framework and provide general insights into the emergence of extreme phenomena.
RvB: Automating AI System Hardening via Iterative Red-Blue Games
The dual offensive and defensive utility of Large Language Models (LLMs) highlights a critical gap in AI security: the lack of unified frameworks for dynamic, iterative adversarial adaptation hardening. To bridge this gap, we propose the Red Team vs. Blue Team (RvB) framework, formulated as a training-free, sequential, imperfect-information game. In this process, the Red Team exposes vulnerabilities, driving the Blue Team to learning effective solutions without parameter updates. We validate our framework across two challenging domains: dynamic code hardening against CVEs and guardrail optimization against jailbreaks. Our empirical results show that this interaction compels the Blue Team to learn fundamental defensive principles, leading to robust remediations that are not merely overfitted to specific exploits. RvB achieves Defense Success Rates of 90\% and 45\% across the respective tasks while maintaining near 0\% False Positive Rates, significantly surpassing baselines. This work establishes the iterative adversarial interaction framework as a practical paradigm that automates the continuous hardening of AI systems.
Loop as a Bridge: Can Looped Transformers Truly Link Representation Space and Natural Language Outputs?
Large Language Models (LLMs) often exhibit a gap between their internal knowledge and their explicit linguistic outputs. In this report, we empirically investigate whether Looped Transformers (LTs)--architectures that increase computational depth by iterating shared layers--can bridge this gap by utilizing their iterative nature as a form of introspection. Our experiments reveal that while increasing loop iterations narrows the gap, it is partly driven by a degradation of their internal knowledge carried by representations. Moreover, another empirical analysis suggests that current LTs' ability to perceive representations does not improve across loops; it is only present in the final loop. These results suggest that while LTs offer a promising direction for scaling computational depth, they have yet to achieve the introspection required to truly link representation space and natural language.
ReasonAny: Incorporating Reasoning Capability to Any Model via Simple and Effective Model Merging
Large Reasoning Models (LRMs) with long chain-of-thought reasoning have recently achieved remarkable success. Yet, equipping domain-specialized models with such reasoning capabilities, referred to as "Reasoning + X", remains a significant challenge. While model merging offers a promising training-free solution, existing methods often suffer from a destructive performance collapse: existing methods tend to both weaken reasoning depth and compromise domain-specific utility. Interestingly, we identify a counter-intuitive phenomenon underlying this failure: reasoning ability predominantly resides in parameter regions with low gradient sensitivity, contrary to the common assumption that domain capabilities correspond to high-magnitude parameters. Motivated by this insight, we propose ReasonAny, a novel merging framework that resolves the reasoning-domain performance collapse through Contrastive Gradient Identification. Experiments across safety, biomedicine, and finance domains show that ReasonAny effectively synthesizes "Reasoning + X" capabilities, significantly outperforming state-of-the-art baselines while retaining robust reasoning performance.