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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…

Recently, researchers have proposed many multi-agent frameworks for function-level code generation, which aim to improve software development productivity by automatically generating function-level source code based on task descriptions. A…

Software Engineering · Computer Science 2025-04-08 Yueheng Zhu , Chao Liu , Xuan He , Xiaoxue Ren , Zhongxin Liu , Ruwei Pan , Hongyu Zhang

We introduce DS-1000, a code generation benchmark with a thousand data science problems spanning seven Python libraries, such as NumPy and Pandas. Compared to prior works, DS-1000 incorporates three core features. First, our problems…

Software Engineering · Computer Science 2022-11-22 Yuhang Lai , Chengxi Li , Yiming Wang , Tianyi Zhang , Ruiqi Zhong , Luke Zettlemoyer , Scott Wen-tau Yih , Daniel Fried , Sida Wang , Tao Yu

Reproducing computational research is often assumed to be as simple as rerunning the original code with provided data. In practice, missing packages, fragile file paths, version conflicts, or incomplete logic frequently cause analyses to…

Software Engineering · Computer Science 2026-04-24 Syed Mehtab Hussain Shah , Frank Hopfgartner , Arnim Bleier

Large Language Model (LLM)-based multi-agent systems (MAS) demonstrate remarkable potential for scientific discovery. Existing approaches, however, often automate scientific discovery using predefined workflows that lack rationality…

Machine Learning · Computer Science 2026-02-10 Yingming Pu , Tao Lin , Hongyu Chen

We introduce DSCodeBench, a new benchmark designed to evaluate large language models (LLMs) on complicated and realistic data science code generation tasks. DSCodeBench consists of 1,000 carefully constructed problems sourced from realistic…

Software Engineering · Computer Science 2025-11-18 Shuyin Ouyang , Dong Huang , Jingwen Guo , Zeyu Sun , Qihao Zhu , Jie M. Zhang

Knowledge Distillation (KD) can transfer the reasoning abilities of large models to smaller ones, which can reduce the costs to generate Chain-of-Thoughts for reasoning tasks. KD methods typically ask the student to mimic the teacher's…

Computation and Language · Computer Science 2026-03-17 Minsang Kim , Seung Jun Baek

Adapting large language models (LLMs) to specialized financial reasoning typically requires expensive fine-tuning that produces model-locked expertise. Training-free alternatives have emerged, yet our experiments show that leading methods…

Computation and Language · Computer Science 2026-03-18 Tik Yu Yim , Wenting Tan , Sum Yee Chan , Tak-Wah Lam , Siu Ming Yiu

While large language model (LLM) multi-agent systems achieve superior reasoning performance through iterative debate, practical deployment is limited by their high computational cost and error propagation. This paper proposes AgentArk, a…

Artificial Intelligence · Computer Science 2026-05-26 Yinyi Luo , Yiqiao Jin , Weichen Yu , Mengqi Zhang , Srijan Kumar , Xiaoxiao Li , Weijie Xu , Xin Chen , Jindong Wang

Self-driving laboratories promise to accelerate materials discovery. Yet current automated solid-state synthesis platforms are limited to ambient conditions, thereby precluding their use for air-sensitive materials. Here, we present A-Lab…

While language models (LMs) have proven remarkably adept at generating code, many programs are challenging for LMs to generate using their parametric knowledge alone. Providing external contexts such as library documentation can facilitate…

Software Engineering · Computer Science 2025-02-28 Zora Zhiruo Wang , Akari Asai , Xinyan Velocity Yu , Frank F. Xu , Yiqing Xie , Graham Neubig , Daniel Fried

Large language models (LLMs) exhibit strong capabilities as decision-making agents by interleaving reasoning and actions, as seen in ReAct-style frameworks. Yet, their practical deployment is constrained by high inference costs and large…

Machine Learning · Computer Science 2026-05-28 Jun Liu , Zhenglun Kong , Peiyan Dong , Changdi Yang , Tianqi Li , Hao Tang , Geng Yuan , Wei Niu , Wenbin Zhang , Pu Zhao , Xue Lin , Dong Huang , Yanzhi Wang

Large language models (LLMs) have become integral to modern software development, producing vast amounts of AI-generated source code. While these models boost programming productivity, their misuse introduces critical risks, including code…

Software Engineering · Computer Science 2025-06-16 Hanxi Guo , Siyuan Cheng , Kaiyuan Zhang , Guangyu Shen , Xiangyu Zhang

The unit testing of Deep Learning (DL) libraries is challenging due to complex numerical semantics and implicit tensor constraints. Traditional Search-Based Software Testing (SBST) often suffers from semantic blindness, failing to satisfy…

Software Engineering · Computer Science 2026-02-17 Zhengyu Zhan , Ye Shang , Jiawei Liu , Chunrong Fang , Quanjun Zhang , Zhenyu Chen

Large Language Models (LLMs) have advanced rapidly as tools for automating code generation in scientific research, yet their ability to interpret and use unfamiliar Python APIs for complex computational experiments remains poorly…

Software Engineering · Computer Science 2025-09-17 Nuno Fachada , Daniel Fernandes , Carlos M. Fernandes , Bruno D. Ferreira-Saraiva , João P. Matos-Carvalho

Coding agents accumulate extensive context during long-running tasks, yet fixed context windows force practitioners to choose between truncation and task failure. While numerous memory condensation strategies have been proposed, from simple…

Machine Learning · Computer Science 2026-05-20 Renuka Chintalapati , Sid Raskar , Anurag Acharya , Jared Willard , Patrick Emami , Sameera Horawalavithana

Large Language Models (LLMs) have shown strong potential for code generation, yet they remain limited in private-library-oriented code generation, where the goal is to generate code using APIs from private libraries. Existing approaches…

Software Engineering · Computer Science 2026-03-30 Yitong Zhang , Chengze Li , Ruize Chen , Guowei Yang , Xiaoran Jia , Yijie Ren , Jia Li

Large language models (LLMs) serve as an active and promising field of generative artificial intelligence and have demonstrated abilities to perform complex tasks in multiple domains, including mathematical and scientific reasoning. In this…

Artificial Intelligence · Computer Science 2026-03-03 Ao Cheng , Lei Zhang , Guowei He

Open-source Large Language Models (LLMs) and their specialized variants, particularly Code LLMs, have recently delivered impressive performance. However, previous Code LLMs are typically fine-tuned on single-source data with limited quality…

Computation and Language · Computer Science 2025-02-04 Zifan Song , Yudong Wang , Wenwei Zhang , Kuikun Liu , Chengqi Lyu , Demin Song , Qipeng Guo , Hang Yan , Dahua Lin , Kai Chen , Cairong Zhao

By leveraging the text-to-image diffusion priors, score distillation can synthesize 3D contents without paired text-3D training data. Instead of spending hours of online optimization per text prompt, recent studies have been focused on…

Computer Vision and Pattern Recognition · Computer Science 2024-07-03 Zhiyuan Ma , Yuxiang Wei , Yabin Zhang , Xiangyu Zhu , Zhen Lei , Lei Zhang