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Multi-modal large language models (MLLMs) have demonstrated promising capabilities across various tasks by integrating textual and visual information to achieve visual understanding in complex scenarios. Despite the availability of several…

Artificial Intelligence · Computer Science 2024-12-03 Zhihuan Jiang , Zhen Yang , Jinhao Chen , Zhengxiao Du , Weihan Wang , Bin Xu , Jie Tang

Coding agents powered by large language models (LLMs) have gained traction for automating code generation through iterative problem-solving with minimal human involvement. Despite the emergence of various frameworks, e.g., LangChain,…

Machine Learning · Computer Science 2025-08-19 Junpeng Wang , Yuzhong Chen , Menghai Pan , Chin-Chia Michael Yeh , Mahashweta Das

The rapid advancement of code large language models (LLMs) has sparked significant research interest in systematically evaluating their code generation capabilities, yet existing benchmarks predominantly assess models at a single structural…

Computation and Language · Computer Science 2025-12-30 Fanglin Xu , Wei Zhang , Jian Yang , Guo Chen , Aishan Liu , Zhoujun Li , Xianglong Liu , Bryan Dai

Evaluating whether Multimodal Large Language Models (MLLMs) genuinely reason about physical dynamics remains challenging. Most existing benchmarks rely on recognition-style protocols such as Visual Question Answering (VQA) and Violation of…

Computer Vision and Pattern Recognition · Computer Science 2026-05-22 Jiarong Liang , Max Ku , Ka-Hei Hui , Ping Nie , Wenhu Chen

Despite the remarkable progress of Vision-Language Models (VLMs) in adopting "Thinking-with-Images" capabilities, accurately evaluating the authenticity of their reasoning process remains a critical challenge. Existing benchmarks mainly…

Computer Vision and Pattern Recognition · Computer Science 2026-01-21 Xuchen Li , Xuzhao Li , Renjie Pi , Shiyu Hu , Jian Zhao , Jiahui Gao

With the widespread application of multimodal large language models in scientific intelligence, there is an urgent need for more challenging evaluation benchmarks to assess their ability to understand complex scientific data. Scientific…

Artificial Intelligence · Computer Science 2025-12-12 Yitong Zhou , Mingyue Cheng , Qingyang Mao , Yucong Luo , Qi Liu , Yupeng Li , Xiaohan Zhang , Deguang Liu , Xin Li , Enhong Chen

Vision-language models (VLMs) are essential to Embodied AI, enabling robots to perceive, reason, and act in complex environments. They also serve as the foundation for the recent Vision-Language-Action (VLA) models. Yet most evaluations of…

The promise of AI-driven scientific discovery hinges on whether AI agents can autonomously design and execute the computational workflows that underpin modern science. Molecular dynamics (MD) simulation presents a natural test bed to…

Artificial Intelligence · Computer Science 2026-05-12 Vinay Kumar , Satyendra Rajput , Mausam , N. M. Anoop Krishnan

Molecular Relational Learning (MRL) aims to understand interactions between molecular pairs, playing a critical role in advancing biochemical research. With the recent development of large language models (LLMs), a growing number of studies…

Machine Learning · Computer Science 2025-06-03 Zhuo Chen , Yizhen Zheng , Huan Yee Koh , Hongxin Xiang , Linjiang Chen , Wenjie Du , Yang Wang

Code review is a cornerstone of software quality assurance, and recent advances in Large Language Models (LLMs) have shown promise in its automation. However, existing benchmarks for LLM-based code review face three major limitations. Lack…

Software Engineering · Computer Science 2026-01-01 Ruida Hu , Xinchen Wang , Xin-Cheng Wen , Zhao Zhang , Bo Jiang , Pengfei Gao , Chao Peng , Cuiyun Gao

In contrast to their remarkable performance on general knowledge QA, the true abilities of Large Language Models (LLMs) in tasks demanding deep, specialized reasoning, such as in protein biology, have yet to be thoroughly investigated.…

Quantitative Methods · Quantitative Biology 2025-12-30 Dingyi Rong , Zijian Chen , Qi Jia , Kaiwei Zhang , Haotian Lu , Guangtao Zhai , Ning Liu

Large language models (LLMs) hold considerable potential for advancing scientific discovery, yet systematic assessment of their dynamic reasoning in real-world research remains limited. Current scientific evaluation benchmarks predominantly…

Computation and Language · Computer Science 2026-03-27 Taolin Han , Shuang Wu , Jinghang Wang , Yuhao Zhou , Renquan Lv , Bing Zhao , Wei Hu

LMMs have shown impressive visual understanding capabilities, with the potential to be applied in agents, which demand strong reasoning and planning abilities. Nevertheless, existing benchmarks mostly assess their reasoning abilities in…

Computer Vision and Pattern Recognition · Computer Science 2024-12-09 Miaosen Zhang , Qi Dai , Yifan Yang , Jianmin Bao , Dongdong Chen , Kai Qiu , Chong Luo , Xin Geng , Baining Guo

This paper introduces SecRepoBench, a benchmark to evaluate code agents on secure code completion in real-world repositories. SecRepoBench has 318 code completion tasks in 27 C/C++ repositories, covering 15 CWEs. We evaluate 29 standalone…

Cryptography and Security · Computer Science 2026-02-17 Chihao Shen , Connor Dilgren , Purva Chiniya , Luke Griffith , Yu Ding , Yizheng Chen

Evaluating Large Language Models (LLMs) with respect to real-world code complexity is essential. Otherwise, there is a risk of overestimating LLMs' programming abilities based on simplistic benchmarks, only to be disappointed when using…

Software Engineering · Computer Science 2026-02-24 Yang Chen , Shuyang Liu , Reyhaneh Jabbarvand

Existing evaluation benchmarks of language models of code (code LMs) focus almost exclusively on whether the LMs can generate functionally-correct code. In real-world software engineering, developers think beyond functional correctness.…

Software Engineering · Computer Science 2024-10-01 Manav Singhal , Tushar Aggarwal , Abhijeet Awasthi , Nagarajan Natarajan , Aditya Kanade

Scientific reasoning is a key aspect of human intelligence, requiring the integration of multimodal inputs, domain expertise, and multi-step inference across various subjects. Existing benchmarks for multimodal large language models (MLLMs)…

Computer Vision and Pattern Recognition · Computer Science 2026-05-14 Longteng Guo , Xuanxu Lin , Dongze Hao , Tongtian Yue , Pengkang Huo , Jiatong Ma , Yuchen Liu , Jing Liu

Large language models (LLMs) have demonstrated good performance in general code generation; however, their capabilities in quantum code generation remain insufficiently studied. This paper presents QuanBench, a benchmark for evaluating LLMs…

Software Engineering · Computer Science 2025-10-21 Xiaoyu Guo , Minggu Wang , Jianjun Zhao

Large Language Models (LLMs) excel in code-related tasks like code generation, but benchmark evaluations often overlook task characteristics, such as difficulty. Moreover, benchmarks are usually built using tasks described with a single…

Software Engineering · Computer Science 2025-10-27 Florian Tambon , Amin Nikanjam , Cyrine Zid , Foutse Khomh , Giuliano Antoniol

AI agents could accelerate scientific discovery by automating hypothesis formation, experiment design, coding, execution, and analysis, yet existing benchmarks probe narrow skills in simplified settings. To address this gap, we introduce…