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Related papers: MolViBench: Evaluating LLMs on Molecular Vibe Codi…

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Despite deep learning's success in chemistry, its impact is hindered by a lack of interpretability and an inability to resolve activity cliffs, where minor structural nuances trigger drastic property shifts. Current representation learning,…

Machine Learning · Computer Science 2026-03-26 Xiangsen Chen , Ruilong Wu , Yanyan Lan , Ting Ma , Yang Liu

The rapid advancement of Large Language Models (LLMs) presents both challenges and opportunities for Natural Language Processing (NLP) education. This paper introduces ``Vibe Coding,'' a pedagogical approach that leverages LLMs as coding…

Computation and Language · Computer Science 2026-02-03 Hend Al-Khalifa

LLMs have become the go-to choice for code generation tasks, with an exponential increase in the training, development, and usage of LLMs specifically for code generation. To evaluate the ability of LLMs on code, both academic and industry…

Software Engineering · Computer Science 2024-03-29 Chunqiu Steven Xia , Yinlin Deng , Lingming Zhang

How to evaluate Large Language Models (LLMs) in code generation is an open question. Existing benchmarks demonstrate poor alignment with real-world code repositories and are insufficient to evaluate the coding abilities of LLMs. This paper…

Computation and Language · Computer Science 2024-04-02 Jia Li , Ge Li , Xuanming Zhang , Yihong Dong , Zhi Jin

We introduce AInsteinBench, a large-scale benchmark for evaluating whether large language model (LLM) agents can operate as scientific computing development agents within real research software ecosystems. Unlike existing scientific…

Large language models (LLMs) play a crucial role in software engineering, excelling in tasks like code generation and maintenance. However, existing benchmarks are often narrow in scope, focusing on a specific task and lack a comprehensive…

Formal verification is the next frontier for ensuring the correctness of code generated by Large Language Models (LLMs). While methods that co-generate code and formal specifications in formal languages, like Dafny, can, in principle, prove…

Programming Languages · Computer Science 2026-04-21 Lingfei Zeng , Fengdi Che , Xuhan Huang , Fei Ye , Xu Xu , Binhang Yuan , Jie Fu

Large Language Models (LLMs) stand at the forefront of a number of Natural Language Processing (NLP) tasks. Despite the widespread adoption of LLMs in NLP, much of their potential in broader fields remains largely unexplored, and…

Machine Learning · Computer Science 2024-03-11 Zhiqiang Zhong , Kuangyu Zhou , Davide Mottin

Recent frontier-level LLMs have saturated many previously difficult benchmarks, leaving little room for further differentiation. This progress highlights the need for challenging benchmarks that provide objective verification. In this…

Computation and Language · Computer Science 2025-10-10 Hyeonseok Moon , Seongtae Hong , Jaehyung Seo , Heuiseok Lim

Evaluating the nuanced human-centric video understanding capabilities of Multimodal Large Language Models (MLLMs) remains a great challenge, as existing benchmarks often overlook the intricacies of emotion, behavior, and cross-modal…

Computer Vision and Pattern Recognition · Computer Science 2026-04-14 Ting Zhou , Daoyuan Chen , Qirui Jiao , Bolin Ding , Yaliang Li , Ying Shen

The recent development and success of Large Language Models (LLMs) necessitate an evaluation of their performance across diverse NLP tasks in different languages. Although several frameworks have been developed and made publicly available,…

Multimodal Large Language Models (MLLMs) excel at recognizing individual visual elements and reasoning over simple linear diagrams. However, when faced with complex topological structures involving branching paths, converging flows, and…

Artificial Intelligence · Computer Science 2026-04-24 Qiang Xu , Shengyuan Bai , Yu Wang , He Cao , Leqing Chen , Yuanyuan Liu , Bin Feng , Zijing Liu , Yu Li

As LLM-based agents are increasingly deployed in real-life scenarios, existing benchmarks fail to capture their inherent complexity of handling extensive information, leveraging diverse resources, and managing dynamic user interactions. To…

Computation and Language · Computer Science 2025-10-20 Wei He , Yueqing Sun , Hongyan Hao , Xueyuan Hao , Zhikang Xia , Qi Gu , Chengcheng Han , Dengchang Zhao , Hui Su , Kefeng Zhang , Man Gao , Xi Su , Xiaodong Cai , Xunliang Cai , Yu Yang , Yunke Zhao

Large Vision-Language Models (LVLMs) have achieved remarkable performance in many vision-language tasks, yet their capabilities in fine-grained visual understanding remain insufficiently evaluated. Existing benchmarks either contain limited…

Computer Vision and Pattern Recognition · Computer Science 2024-10-30 Fengbin Zhu , Ziyang Liu , Xiang Yao Ng , Haohui Wu , Wenjie Wang , Fuli Feng , Chao Wang , Huanbo Luan , Tat Seng Chua

Creativity is a fundamental aspect of intelligence, involving the ability to generate novel and appropriate solutions across diverse contexts. While Large Language Models (LLMs) have been extensively evaluated for their creative…

Computer Vision and Pattern Recognition · Computer Science 2025-03-20 Xinyu Fang , Zhijian Chen , Kai Lan , Lixin Ma , Shengyuan Ding , Yingji Liang , Xiangyu Zhao , Farong Wen , Zicheng Zhang , Guofeng Zhang , Haodong Duan , Kai Chen , Dahua Lin

Multimodal Large Language models (MLLMs) have shown promise in web-related tasks, but evaluating their performance in the web domain remains a challenge due to the lack of comprehensive benchmarks. Existing benchmarks are either designed…

Computation and Language · Computer Science 2024-04-10 Junpeng Liu , Yifan Song , Bill Yuchen Lin , Wai Lam , Graham Neubig , Yuanzhi Li , Xiang Yue

Large language models (LLMs) are changing the way researchers interact with code and data in scientific computing. While their ability to generate general-purpose code is well established, their effectiveness in producing scientifically…

Software Engineering · Computer Science 2026-05-25 Ethan Holbrook , Juan C. Verduzco , Alejandro Strachan

With the rapid advancement of Generative AI technology, Multimodal Large Language Models(MLLMs) have the potential to act as AI software engineers capable of executing complex web application development. Considering that the model requires…

Computation and Language · Computer Science 2025-06-10 Zhiyu Lin , Zhengda Zhou , Zhiyuan Zhao , Tianrui Wan , Yilun Ma , Junyu Gao , Xuelong Li

Recently, Large Language Models (LLMs) have demonstrated great potential in natural language-driven molecule discovery. However, existing datasets and benchmarks for molecule-text alignment are predominantly built on one-to-one mappings,…

Computation and Language · Computer Science 2026-05-25 Jiatong Li , Junxian Li , Weida Wang , Yunqing Liu , Changmeng Zheng , Yatao Bian , Dongzhan Zhou , Xiao-yong Wei , Qing Li

Multimodal large language models (MLLMs) have made impressive progress in many applications in recent years. However, chemical MLLMs that can handle cross-modal understanding and generation remain underexplored. To fill this gap, we propose…

Machine Learning · Computer Science 2025-08-05 Qian Tan , Dongzhan Zhou , Peng Xia , Wanhao Liu , Wanli Ouyang , Lei Bai , Yuqiang Li , Tianfan Fu
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