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Large language models (LLMs) have shown great promise in generating structured diagrams from natural language descriptions, particularly Mermaid sequence diagrams for software engineering. However, the lack of existing benchmarks to assess…

Software Engineering · Computer Science 2026-04-28 Basel Shbita , Farhan Ahmed , Chad DeLuca

Computational drug discovery, particularly the complex workflows of drug molecule screening and optimization, requires orchestrating dozens of specialized tools in multi-step workflows, yet current AI agents struggle to maintain robust…

While LLM-Based agents, which use external tools to solve complex problems, have made significant progress, benchmarking their ability is challenging, thereby hindering a clear understanding of their limitations. In this paper, we propose…

Computation and Language · Computer Science 2024-11-07 Chuyu Zhang , Songyang Zhang , Yingfan Hu , Haowen Shen , Kuikun Liu , Zerun Ma , Fengzhe Zhou , Wenwei Zhang , Xuming He , Dahua Lin , Kai Chen

Understanding and reasoning over diagrams is a fundamental aspect of human intelligence. While Large Multimodal Models (LMMs) have demonstrated impressive capabilities across various tasks, existing benchmarks lack comprehensive evaluation…

Computer Vision and Pattern Recognition · Computer Science 2025-02-19 Fengji Zhang , Linquan Wu , Huiyu Bai , Guancheng Lin , Xiao Li , Xiao Yu , Yue Wang , Bei Chen , Jacky Keung

LLM-powered coding agents are redefining how real-world software is developed. To drive the research towards better coding agents, we require challenging benchmarks that can rigorously evaluate the ability of such agents to perform various…

Molecule generation requires satisfying multiple chemical and biological constraints while searching a large and structured chemical space. This makes it a non-binary problem, where effective models must identify non-obvious solutions under…

Computation and Language · Computer Science 2026-04-21 Wen Tao , Yiwei Wang , Peng Zhou , Bryan Hooi , Wanlong Fang , Tianle Zhang , Xiao Luo , Yuansheng Liu , Alvin Chan

Large Language Models (LLMs) have demonstrated remarkable performance on assisting humans in programming and facilitating programming automation. However, existing benchmarks for evaluating the code understanding and generation capacities…

Computation and Language · Computer Science 2024-06-10 Weixiang Yan , Haitian Liu , Yunkun Wang , Yunzhe Li , Qian Chen , Wen Wang , Tingyu Lin , Weishan Zhao , Li Zhu , Hari Sundaram , Shuiguang Deng

Large Language Models (LLMs) are increasingly deployed as scientific AI as- sistants, and a growing body of benchmarks evaluates their capabilities across knowledge retrieval, reasoning, code generation, and tool use. These evaluations,…

Multimodal large language models (MLLMs) have significantly advanced the integration of visual and textual understanding. However, their ability to generate code from multimodal inputs remains limited. In this work, we introduce VisCodex, a…

Computation and Language · Computer Science 2025-08-14 Lingjie Jiang , Shaohan Huang , Xun Wu , Yixia Li , Dongdong Zhang , Furu Wei

Large language models are increasingly applied to various development scenarios. However, in on-chain transaction scenarios, even a minor error can cause irreversible loss for users. Existing evaluations often overlook execution accuracy…

Computation and Language · Computer Science 2026-04-08 Pei Yang , Wanyi Chen , Ke Wang , Lynn Ai , Eric Yang , Tianyu Shi

Molecular optimization is a central task in drug discovery that requires precise structural reasoning and domain knowledge. While large language models (LLMs) have shown promise in generating high-level editing intentions in natural…

Machine Learning · Computer Science 2025-10-17 Wenyu Zhu , Chengzhu Li , Xiaohe Tian , Yifan Wang , Yinjun Jia , Jianhui Wang , Bowen Gao , Ya-Qin Zhang , Wei-Ying Ma , Yanyan Lan

Humans can imagine and manipulate visual images mentally, a capability known as spatial visualization. While many multi-modal benchmarks assess reasoning on visible visual information, the ability to infer unseen relationships through…

Computer Vision and Pattern Recognition · Computer Science 2026-03-17 Siting Wang , Minnan Pei , Luoyang Sun , Cheng Deng , Yuchen Li , Kun Shao , Zheng Tian , Haifeng Zhang , Jun Wang

Chemical language models (CLMs) are prominent for their effectiveness in exploring chemical space and enabling molecular engineering. However, while exploring chemical-linguistic space, CLMs suffer from the gap between natural language and…

Computational Engineering, Finance, and Science · Computer Science 2025-01-07 Liuzhenghao Lv , Hao Li , Yu Wang , Zhiyuan Yan , Zijun Chen , Zongying Lin , Li Yuan , Yonghong Tian

Large language models (LLMs) have been widely adopted across diverse domains of software engineering, such as code generation, program repair, and vulnerability detection. These applications require understanding beyond surface-level code…

Software Engineering · Computer Science 2026-01-21 Danning Xie , Mingwei Zheng , Xuwei Liu , Jiannan Wang , Chengpeng Wang , Lin Tan , Xiangyu Zhang

Code completion, a key downstream task in code generation, is one of the most frequent and impactful methods for enhancing developer productivity in software development. As intelligent completion tools evolve, we need a robust evaluation…

Software Engineering · Computer Science 2024-10-25 Zhenyu Pan , Rongyu Cao , Yongchang Cao , Yingwei Ma , Binhua Li , Fei Huang , Han Liu , Yongbin Li

Recent reasoning-based large language models have shown strong performance on tasks with verifiable outcomes, but their use in de novo molecular generation remains limited by the lack of training environments where rewards can be computed…

Machine Learning · Computer Science 2026-05-12 Philippe Formont , Maxime Darrin , Ismail Ben Ayed , Pablo Piantanida

We introduce OSVBench, a new benchmark for evaluating Large Language Models (LLMs) on the task of generating complete formal specifications for verifying the functional correctness of operating system kernels. This benchmark is built upon a…

Computation and Language · Computer Science 2025-12-09 Shangyu Li , Juyong Jiang , Tiancheng Zhao , Jiasi Shen

DevBench is a telemetry-driven benchmark designed to evaluate Large Language Models (LLMs) on realistic code completion tasks. It includes 1,800 evaluation instances across six programming languages and six task categories derived from real…

Machine Learning · Computer Science 2026-05-19 Adarsh Kumarappan , Pareesa Ameneh Golnari , Wen Wen , Xiaoyu Liu , Gabriel Ryan , Yuting Sun , Shengyu Fu , Elsie Nallipogu

Multimodal Large Language Models (MLLMs) have shown impressive capabilities in image understanding and generation. However, current benchmarks fail to accurately evaluate the chart comprehension of MLLMs due to limited chart types and…

Computer Vision and Pattern Recognition · Computer Science 2024-06-21 Zhengzhuo Xu , Sinan Du , Yiyan Qi , Chengjin Xu , Chun Yuan , Jian Guo

Evaluating the robustness of Large Vision-Language Models (LVLMs) is essential for their continued development and responsible deployment in real-world applications. However, existing robustness benchmarks typically focus on hallucination…

Computer Vision and Pattern Recognition · Computer Science 2026-05-28 Huiyi Chen , Jiawei Peng , Dehai Min , Changchang Sun , Kaijie Chen , Yan Yan , Xu Yang , Lu Cheng