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Symbolic regression (SR), the task of discovering mathematical expressions that best describe a given dataset, remains a fundamental challenge in scientific discovery. Traditional approaches, primarily based on genetic algorithms and…

Artificial Intelligence · Computer Science 2026-05-06 Hao Liu , Xiao-Wen Yang , Atharva Sehgal , Yixin Wang , Lan-Zhe Guo , Yu-Feng Li , Yisong Yue

With the rapid development of Large Language Models (LLMs), AI agents have demonstrated increasing proficiency in scientific tasks, ranging from hypothesis generation and experimental design to manuscript writing. Such agent systems are…

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

Scientific discovery is often slowed by the manual development of computational tools needed to analyze complex experimental data. Building such tools is costly and time-consuming because scientists must iteratively review literature, test…

Artificial Intelligence · Computer Science 2026-05-19 Alistair Turcan , Kexin Huang , Lei Li , Martin Jinye Zhang

Recent work in scientific machine learning aims to tackle scientific tasks directly by predicting target values with neural networks (e.g., physics-informed neural networks, neural ODEs, neural operators, etc.), but attaining high accuracy…

Large language models (LLMs) are increasingly used in scientific research and discovery, supporting tasks ranging from literature retrieval and synthesis to hypothesis generation, autonomous experimentation, and research evaluation.…

Digital Libraries · Computer Science 2026-05-13 Haoxuan Zhang , Ruochi Li , Yang Zhang , Ting Xiao , Jiangping Chen , Junhua Ding , Haihua Chen

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

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

Large language models (LLMs) have moved far beyond their initial form as simple chatbots, now carrying out complex reasoning, planning, writing, coding, and research tasks. These skills overlap significantly with those that human scientists…

This paper introduces AnalyticsGPT, an intuitive and efficient large language model (LLM)-powered workflow for scientometric question answering. This underrepresented downstream task addresses the subcategory of meta-scientific questions…

Computation and Language · Computer Science 2026-02-11 Khang Ly , Georgios Cheirmpos , Adrian Raudaschl , Christopher James , Seyed Amin Tabatabaei

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

Symbolic regression is a fundamental tool for discovering interpretable mathematical expressions from data, with broad applications across scientific and engineering domains. Recently, large language models (LLMs) have demonstrated strong…

Machine Learning · Computer Science 2025-06-06 Runxiang Wang , Boxiao Wang , Kai Li , Yifan Zhang , Jian Cheng

With recent Nobel Prizes recognising AI contributions to science, Large Language Models (LLMs) are transforming scientific research by enhancing productivity and reshaping the scientific method. LLMs are now involved in experimental design,…

Large language model (LLM)-based systems are increasingly deployed to conduct scientific research autonomously, yet whether their reasoning adheres to the epistemic norms that make scientific inquiry self-correcting is poorly understood.…

Large Language Models (LLMs) have shown human-like reasoning abilities but still struggle with complex logical problems. This paper introduces a novel framework, Logic-LM, which integrates LLMs with symbolic solvers to improve logical…

Computation and Language · Computer Science 2023-10-20 Liangming Pan , Alon Albalak , Xinyi Wang , William Yang Wang

Autonomous science agents built on large language models (LLMs) are increasingly used to generate hypotheses, design experiments, and produce reports. However, prior work mainly targets open-ended scientific problems with subjective outputs…

Computation and Language · Computer Science 2026-03-24 Tianshu Zhang , Huan Sun

The rapid advancement of scientific progress requires innovative tools that can accelerate knowledge discovery. Although recent AI methods, particularly large language models (LLMs), have shown promise in tasks such as hypothesis generation…

Artificial Intelligence · Computer Science 2025-05-28 Haoyang Su , Renqi Chen , Shixiang Tang , Zhenfei Yin , Xinzhe Zheng , Jinzhe Li , Biqing Qi , Qi Wu , Hui Li , Wanli Ouyang , Philip Torr , Bowen Zhou , Nanqing Dong

Large language models (LLMs) have exhibited exceptional capabilities in natural language understanding and generation, image recognition, and multimodal tasks, charting a course towards AGI and emerging as a central issue in the global…

Computation and Language · Computer Science 2025-11-20 Guoqiang Liang , Jingqian Gong , Mengxuan Li , Gege Lin , Shuo Zhang

Scientific workflow systems automate execution -- scheduling, fault tolerance, resource management -- but not the semantic translation that precedes it. Scientists still manually convert research questions into workflow specifications, a…

Artificial Intelligence · Computer Science 2026-04-24 Bartosz Balis , Michal Orzechowski , Piotr Kica , Michal Dygas , Michal Kuszewski

The performance gap between closed-source and open-source large language models (LLMs) is largely attributed to disparities in access to high-quality training data. To bridge this gap, we introduce a novel framework for the automated…