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Agentic data science (ADS) systems are rapidly improving their capability to autonomously analyze, fit, and interpret data, potentially moving towards a future where agents conduct the vast majority of data-science work. However, current…

Artificial Intelligence · Computer Science 2026-05-06 Chandan Singh , Yan Shuo Tan , Weijia Xu , Zelalem Gero , Weiwei Yang , Michel Galley , Jianfeng Gao

Modern engineering increasingly relies on vast datasets generated by experiments and simulations, driving a growing demand for efficient, reliable, and broadly applicable modeling strategies. There is also heightened interest in developing…

Artificial Intelligence · Computer Science 2025-10-03 Yang Liu , Zaid Abulawi , Abhiram Garimidi , Doyeong Lim

Large Language Model (LLM) agents have shown great potential in addressing real-world data science problems. LLM-driven data science agents promise to automate the entire machine learning pipeline, yet their real-world effectiveness remains…

Computation and Language · Computer Science 2025-10-09 Yixin Ou , Yujie Luo , Jingsheng Zheng , Lanning Wei , Zhuoyun Yu , Shuofei Qiao , Jintian Zhang , Da Zheng , Yuren Mao , Yunjun Gao , Huajun Chen , Ningyu Zhang

Autonomous data science, from raw data sources to analyst-grade deep research reports, has been a long-standing challenge, and is now becoming feasible with the emergence of powerful large language models (LLMs). Recent workflow-based data…

Artificial Intelligence · Computer Science 2025-10-21 Shaolei Zhang , Ju Fan , Meihao Fan , Guoliang Li , Xiaoyong Du

As scientific research becomes increasingly complex, innovative tools are needed to manage vast data, facilitate interdisciplinary collaboration, and accelerate discovery. Large language models (LLMs) are now evolving into LLM-based…

Artificial Intelligence · Computer Science 2026-02-03 Shuo Ren , Can Xie , Pu Jian , Zhenjiang Ren , Chunlin Leng , Jiajun Zhang

Large language models (LLMs) have sparked growing interest in machine learning research agents that can autonomously propose ideas and conduct experiments. However, existing benchmarks predominantly adopt an engineering-oriented…

Computation and Language · Computer Science 2026-02-26 Qiran Zou , Hou Hei Lam , Wenhao Zhao , Yiming Tang , Tingting Chen , Samson Yu , Tianyi Zhang , Chang Liu , Xiangyang Ji , Dianbo Liu

Scientific data visualization plays a crucial role in research by enabling the direct display of complex information and assisting researchers in identifying implicit patterns. Despite its importance, the use of Large Language Models (LLMs)…

Computation and Language · Computer Science 2024-03-20 Zhiyu Yang , Zihan Zhou , Shuo Wang , Xin Cong , Xu Han , Yukun Yan , Zhenghao Liu , Zhixing Tan , Pengyuan Liu , Dong Yu , Zhiyuan Liu , Xiaodong Shi , Maosong Sun

Recent advances in large language models (LLMs) have propelled research in natural language interfaces to databases. However, most state-of-the-art text-to-SQL systems still depend on complex, multi-stage pipelines. This work proposes a…

Artificial Intelligence · Computer Science 2025-06-03 Fernando Granado , Roberto Lotufo , Jayr Pereira

Large Language Models (LLMs) and Large Vision-Language Models (LVLMs) have demonstrated impressive language/vision reasoning abilities, igniting the recent trend of building agents for targeted applications such as shopping assistants or AI…

Artificial Intelligence · Computer Science 2025-04-14 Liqiang Jing , Zhehui Huang , Xiaoyang Wang , Wenlin Yao , Wenhao Yu , Kaixin Ma , Hongming Zhang , Xinya Du , Dong Yu

Autonomous scientific research is significantly advanced thanks to the development of AI agents. One key step in this process is finding the right scientific literature, whether to explore existing knowledge for a research problem, or to…

Large language models (LLMs) and agent techniques have brought a fundamental shift in the functionality and development paradigm of data analysis tasks (a.k.a LLM/Agent-as-Data-Analyst), demonstrating substantial impact across both academia…

Recent advances in large language models (LLMs) have shown great potential to accelerate drug discovery. However, the specialized nature of biochemical data often necessitates costly domain-specific fine-tuning, posing major challenges.…

Machine Learning · Computer Science 2025-11-17 Namkyeong Lee , Edward De Brouwer , Ehsan Hajiramezanali , Tommaso Biancalani , Chanyoung Park , Gabriele Scalia

In this work, we investigate the potential of large language models (LLMs) based agents to automate data science tasks, with the goal of comprehending task requirements, then building and training the best-fit machine learning models.…

Machine Learning · Computer Science 2024-05-29 Siyuan Guo , Cheng Deng , Ying Wen , Hechang Chen , Yi Chang , Jun Wang

The rapid progress of Large Language Models (LLMs) has given rise to a new category of autonomous AI systems, referred to as Deep Research (DR) agents. These agents are designed to tackle complex, multi-turn informational research tasks by…

Artificial Intelligence · Computer Science 2025-09-04 Yuxuan Huang , Yihang Chen , Haozheng Zhang , Kang Li , Huichi Zhou , Meng Fang , Linyi Yang , Xiaoguang Li , Lifeng Shang , Songcen Xu , Jianye Hao , Kun Shao , Jun Wang

Large language models (LLMs) hold great promise for medical applications and are evolving rapidly, with new models being released at an accelerated pace. However, benchmarking on large-scale real-world data such as electronic health records…

The development of Large Language Models (LLMs) has catalyzed automation in customer service, yet benchmarking their performance remains challenging. Existing benchmarks predominantly rely on static paradigms and single-dimensional metrics,…

Artificial Intelligence · Computer Science 2026-04-13 Ling Shi , Yuqin Dai , Ziyin Wang , Ning Gao , Wei Zhang , Chaozheng Wang , Yujie Wang , Wei He , Jinpeng Wang , Deiyi Xiong

We introduce DA-Code, a code generation benchmark specifically designed to assess LLMs on agent-based data science tasks. This benchmark features three core elements: First, the tasks within DA-Code are inherently challenging, setting them…

Computation and Language · Computer Science 2024-10-14 Yiming Huang , Jianwen Luo , Yan Yu , Yitong Zhang , Fangyu Lei , Yifan Wei , Shizhu He , Lifu Huang , Xiao Liu , Jun Zhao , Kang Liu

Can the rapid advances in code generation, function calling, and data analysis using large language models (LLMs) help automate the search and verification of hypotheses purely from a set of provided datasets? To evaluate this question, we…

This paper introduces Agent-Based Auto Research, a structured multi-agent framework designed to automate, coordinate, and optimize the full lifecycle of scientific research. Leveraging the capabilities of large language models (LLMs) and…

Recent advances in large language models (LLMs) have enabled agentic systems that translate natural language intent into executable scientific visualization (SciVis) tasks. Despite rapid progress, the community lacks a principled and…