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Multimodal scientific reasoning remains a significant challenge for large language models (LLMs), particularly in chemistry, where problem-solving relies on symbolic diagrams, molecular structures, and structured visual data. Here, we…

Computation and Language · Computer Science 2025-12-18 Yiming Cui , Xin Yao , Yuxuan Qin , Xin Li , Shijin Wang , Guoping Hu

With the rapid advancements in Multimodal Large Language Models (MLLMs), securing these models against malicious inputs while aligning them with human values has emerged as a critical challenge. In this paper, we investigate an important…

Cryptography and Security · Computer Science 2024-11-26 Weidi Luo , Siyuan Ma , Xiaogeng Liu , Xiaoyu Guo , Chaowei Xiao

Neuroblastoma (NB), a leading cause of childhood cancer mortality, exhibits significant histopathological variability, necessitating precise subtyping for accurate prognosis and treatment. Traditional diagnostic methods rely on subjective…

Computer Vision and Pattern Recognition · Computer Science 2025-03-20 Huangwei Chen , Yifei Chen , Zhenyu Yan , Mingyang Ding , Chenlei Li , Zhu Zhu , Feiwei Qin

As large language models (LLMs) continue to advance and gain widespread use, establishing systematic and reliable evaluation methodologies for LLMs and vision-language models (VLMs) has become essential to ensure their real-world…

Artificial Intelligence · Computer Science 2025-06-03 Jie Feng , Jun Zhang , Tianhui Liu , Xin Zhang , Tianjian Ouyang , Junbo Yan , Yuwei Du , Siqi Guo , Yong Li

The ability to understand causality significantly impacts the competence of large language models (LLMs) in output explanation and counterfactual reasoning, as causality reveals the underlying data distribution. However, the lack of a…

Machine Learning · Computer Science 2024-09-30 Yu Zhou , Xingyu Wu , Beicheng Huang , Jibin Wu , Liang Feng , Kay Chen Tan

Binary analysis remains pivotal in software security, offering insights into compiled programs without source code access. As large language models (LLMs) continue to excel in diverse language understanding and generation tasks, their…

Software Engineering · Computer Science 2025-05-13 Xiuwei Shang , Guoqiang Chen , Shaoyin Cheng , Benlong Wu , Li Hu , Gangyang Li , Weiming Zhang , Nenghai Yu

Large Language Models (LLMs) with strong abilities in natural language processing tasks have emerged and have been applied in various kinds of areas such as science, finance and software engineering. However, the capability of LLMs to…

Computation and Language · Computer Science 2023-12-29 Taicheng Guo , Kehan Guo , Bozhao Nan , Zhenwen Liang , Zhichun Guo , Nitesh V. Chawla , Olaf Wiest , Xiangliang Zhang

This paper investigates using knowledge editing techniques to detoxify Large Language Models (LLMs). We construct a benchmark, SafeEdit, which covers nine unsafe categories with various powerful attack prompts and equips comprehensive…

Computation and Language · Computer Science 2024-05-29 Mengru Wang , Ningyu Zhang , Ziwen Xu , Zekun Xi , Shumin Deng , Yunzhi Yao , Qishen Zhang , Linyi Yang , Jindong Wang , Huajun Chen

The effective assessment of the instruction-following ability of large language models (LLMs) is of paramount importance. A model that cannot adhere to human instructions might be not able to provide reliable and helpful responses. In…

Computation and Language · Computer Science 2023-11-17 Yimin Jing , Renren Jin , Jiahao Hu , Huishi Qiu , Xiaohua Wang , Peng Wang , Deyi Xiong

Data science plays a critical role in biomedical research, but it requires professionals with expertise in coding and medical data analysis. Large language models (LLMs) have shown great potential in supporting medical tasks and performing…

Artificial Intelligence · Computer Science 2025-04-10 Zifeng Wang , Benjamin Danek , Ziwei Yang , Zheng Chen , Jimeng Sun

Recently, large language models (LLMs) have shown significant progress, approaching human perception levels. In this work, we demonstrate that despite these advances, LLMs still struggle to reason using molecular structural information.…

Machine Learning · Computer Science 2025-05-26 Yunhui Jang , Jaehyung Kim , Sungsoo Ahn

Disclaimer: Samples in this paper may be harmful and cause discomfort. Multimodal large language models (MLLMs) enable multimodal generation but inherit toxic, biased, and NSFW signals from weakly curated pretraining corpora, causing safety…

Computation and Language · Computer Science 2026-02-16 Hongbo Wang , MaungMaung AprilPyone , Isao Echizen

Autonomous agent systems powered by Large Language Models (LLMs) have demonstrated promising capabilities in automating complex tasks. However, current evaluations largely rely on success rates without systematically analyzing the…

Artificial Intelligence · Computer Science 2025-08-19 Ruofan Lu , Yichen Li , Yintong Huo

Understanding and continuously refining multimodal molecular knowledge is crucial for advancing biomedicine, chemistry, and materials science. Molecule language models (MoLMs) have become powerful tools in these domains, integrating…

Machine Learning · Computer Science 2025-12-01 Zhenyu Lei , Patrick Soga , Yaochen Zhu , Yinhan He , Yushun Dong , Jundong Li

Many evaluations of Large Language Models (LLMs) target tasks that are inherently ill-defined, with unclear input and output spaces and ambiguous success criteria. We analyze why existing evaluation benchmarks and metrics fail to provide…

Computation and Language · Computer Science 2026-03-19 Yi Zhou , Basel Shbita

A prior-informed large language model (LLM) driven multi-task learning framework is proposed for the unified description of multiple nuclear observables. By fine-tuning the pre-trained DeepSeek-R1-1.5B model with Low-Rank Adaptation (LoRA),…

Nuclear Theory · Physics 2026-05-29 S. J. Guo , S. Y. Wang , E. H. Wang , Z. M. Niu , Y. M. Ding

Multimodal Large Language Models (MLLMs) show promise for medical applications, yet progress in dermatology lags due to limited training data, narrow task coverage, and lack of clinically-grounded supervision that mirrors expert diagnostic…

Computation and Language · Computer Science 2026-01-06 Jinghan Ru , Siyuan Yan , Yuguo Yin , Yuexian Zou , Zongyuan Ge

Recently, multimodal large language models (MLLMs) have achieved significant advancements across various domains, and corresponding evaluation benchmarks have been continuously refined and improved. In this process, benchmarks in the…

Computation and Language · Computer Science 2025-08-20 Jiacheng Ruan , Dan Jiang , Xian Gao , Ting Liu , Yuzhuo Fu , Yangyang Kang

Recently, Large Language Models (LLM) have demonstrated impressive capability to solve a wide range of tasks. However, despite their success across various tasks, no prior work has investigated their capability in the biomedical domain yet.…

Computation and Language · Computer Science 2024-02-21 Israt Jahan , Md Tahmid Rahman Laskar , Chun Peng , Jimmy Huang

Detecting toxic content using language models is important but challenging. While large language models (LLMs) have demonstrated strong performance in understanding Chinese, recent studies show that simple character substitutions in toxic…

Computation and Language · Computer Science 2025-06-02 Shujian Yang , Shiyao Cui , Chuanrui Hu , Haicheng Wang , Tianwei Zhang , Minlie Huang , Jialiang Lu , Han Qiu
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