Ruiqing Sun, Dawei Feng, Sen Yang, Ronghang Wang, Huaiyuan Song, Bo Ding, Yijie Wang, Huaimin Wang
De novo 3D molecular design with multiple properties and fragment-retention constraints is formulated as a constrained multi-objective optimization problem. Existing 3D diffusion models provide strong capabilities for generating novel molecules, but adapting them to new conditions and multi-objective optimization tasks remains difficult. We present Diffusion-based Evolutionary Molecular Optimization (DEMO), a framework that draws solely on the unconditional molecular prior of a frozen pretrained diffusion model to generate chemically valid 3D candidates, while evolutionary search handles conditional generation and constrained multi-objective optimization, without retraining or fine-tuning. DEMO performs crossover and mutation on intermediate diffusion states through an Evolutionary-Guided Diffusion (EGD) operator, combines 2D topology and 3D geometry in Structure-Aware Environmental Selection (SAES) to preserve structural diversity, and uses three cooperating populations to coordinate structural exploration, fragment-constraint satisfaction, and property optimization. Experimental results demonstrate that EGD outperforms task-specific conditional generators in property targeting; SAES preserves structural diversity while retaining competitive hypervolume in multi-objective optimization; and DEMO improves objective convergence and generates diverse feasible molecules under fragment constraints. These results show how evolutionary search can reuse existing diffusion models for diverse molecular design requirements.
Huawei Zheng Zhejiang University, Xinqi Jiang Zhejiang University, Sen Yang Zhejiang University, Shouling Ji Zhejiang University, Yingcai Wu Zhejiang University, Dazhen Deng Zhejiang University
Large language models (LLMs) are increasingly applied in specialized domains such as finance and healthcare, where they introduce unique safety risks. Domain-specific datasets of harmful prompts remain scarce and still largely rely on manual construction; public datasets mainly focus on explicit harmful prompts, which modern LLM defenses can often detect and refuse. In contrast, implicit harmful prompts—expressed through indirect domain knowledge—are harder to detect and better reflect real-world threats. We identify two challenges: transforming domain knowledge into actionable constraints and increasing the implicitness of generated harmful prompts. To address them, we propose an end-to-end framework that first performs knowledge-graph-guided harmful prompt generation to systematically produce domain-relevant prompts, and then applies two-strategy obfuscation rewriting to convert explicit harmful prompts into implicit variants via direct and context-enhanced rewriting. This framework yields high-quality datasets combining strong domain relevance with implicitness, enabling more realistic red-teaming and advancing LLM safety research. We release our code and datasets on GitHub.
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cs.CL
Proceedings of the 64th Annual Meeting of the Association for Computational Linguistics (Volume 1: Long Papers) · 2026 · 正式发表
Yuzhen Shi Alibaba Group, Huanghai Liu Tsinghua University, Tsinghua University, Yiran HU, Song Gaojie, Xu Xinran, Yubo Ma, Tianyi Tang Alibaba Group, Li Zhang 等 30 位作者
As large language models (LLMs) are increasingly applied to legal domain-specific tasks, evaluating their ability to perform legal work in real-world settings has become essential. However, existing legal benchmarks rely on simplified and highly standardized tasks, failing to capture the ambiguity, complexity, and reasoning demands of real legal practice. Moreover, prior evaluations often adopt coarse, single-dimensional metrics and do not explicitly assess fine-grained legal reasoning. To address these limitations, we introduce PLawBench, a Practical Law Benchmark designed to evaluate LLMs in realistic legal practice scenarios. Grounded in real-world legal workflows, PLawBench models the core processes of legal practitioners through three task categories: public legal consultation, practical case analysis, and legal document generation. These tasks assess a model’s ability to identify legal issues and key facts, perform structured legal reasoning, and generate legally coherent documents. PLawBench comprises 850 questions across 13 practical legal scenarios, with each question accompanied by expert-designed evaluation rubrics, resulting in approximately 12,500 rubric items for fine-grained assessment. Using an LLM-based evaluator aligned with human expert judgments, we evaluate 10 state-of-the-art LLMs. Experimental results show that none achieves strong performance on PLawBench, revealing substantial limitations in the fine-grained legal reasoning capabilities of current LLMs and highlighting important directions for future evaluation and development of legal LLMs. Data is available at: https://anonymous.4open.science/r/PLawbench-B524/.
尚无 AI 解读，展示原文摘要
cs.CL
Proceedings of the 64th Annual Meeting of the Association for Computational Linguistics (Volume 1: Long Papers) · 2026 · 正式发表