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Large language models (LLMs) show remarkable potential in scientific hypothesis discovery. However, existing approaches face two critical limitations: they treat divergent exploratory ideation and convergent fine-grained refinement as…

Computation and Language · Computer Science 2026-05-29 Hongran An , Zonglin Yang

The cognitive sciences aim to understand intelligence by formalizing underlying operations as computational models. Traditionally, this follows a cycle of discovery where researchers develop paradigms, collect data, and test predefined…

Artificial Intelligence · Computer Science 2026-03-24 Akshay K. Jagadish , Milena Rmus , Kristin Witte , Marvin Mathony , Marcel Binz , Eric Schulz

Autonomous scientific discovery with large language model (LLM)-based agents has recently made substantial progress, demonstrating the ability to automate end-to-end research workflows. However, existing systems largely rely on…

Computational Engineering, Finance, and Science · Computer Science 2026-01-29 Tengyue Xu , Zhuoyang Qian , Gaoge Liu , Li Ling , Zhentao Zhang , Biao Wu , Shuo Zhang , Ke Lu , Wei Shi , Ziqi Wang , Zheng Feng , Yan Luo , Shu Xu , Yongjin Chen , Zhibo Feng , Zhuo Chen , Bruce Yuan , Harry Wang , Kris Chen

While previous AI Scientist systems can generate novel findings, they often lack the focus to produce scientifically valuable contributions that address pressing human-defined challenges. We introduce DeepScientist, a system designed to…

Computation and Language · Computer Science 2025-10-01 Yixuan Weng , Minjun Zhu , Qiujie Xie , Qiyao Sun , Zhen Lin , Sifan Liu , Yue Zhang

We introduce InternAgent-1.5, a unified system designed for end-to-end scientific discovery across computational and empirical domains. The system is built on a structured architecture composed of three coordinated subsystems for…

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…

Scientific discovery concerns finding patterns in data and creating insightful hypotheses that explain these patterns. Traditionally, this process required human ingenuity, but with the galloping advances in artificial intelligence (AI) it…

Artificial Intelligence · Computer Science 2022-11-01 Julian Skirzynski , Yash Raj Jain , Falk Lieder

Large language models (LLMs) have enabled agentic AI systems for scientific discovery, but most approaches remain limited to textbased reasoning without automated experimental verification. We propose MIND, an LLM-driven framework for…

Multiagent Systems · Computer Science 2026-04-16 Geonhee Ahn , Donghyun Lee , Hayoung Doo , Jonggeol Na , Hyunsoo Cho , Sookyung Kim

The emergence of "big data" offers unprecedented opportunities for not only accelerating scientific advances but also enabling new modes of discovery. Scientific progress in many disciplines is increasingly enabled by our ability to examine…

Computers and Society · Computer Science 2017-07-03 Vasant G. Honavar , Mark D. Hill , Katherine Yelick

With recent advances in frontier multimodal large language models (MLLMs) for data understanding and visual reasoning, the role of LLMs has evolved from passive LLM-as-an-interface to proactive LLM-as-a-judge, enabling deeper integration…

Graphics · Computer Science 2026-04-07 Jianxin Sun , David Lenz , Tom Peterka , Hongfeng Yu

Tackling the most pressing problems for humanity, such as the climate crisis and the threat of global pandemics, requires accelerating the pace of scientific discovery. While science has traditionally relied on trial and error and even…

Machine Learning · Computer Science 2023-06-28 Moksh Jain , Tristan Deleu , Jason Hartford , Cheng-Hao Liu , Alex Hernandez-Garcia , Yoshua Bengio

The "AI Scientist" paradigm is transforming scientific research by automating key stages of the research process, from idea generation to scholarly writing. This shift is expected to accelerate discovery and expand the scope of scientific…

Human-Computer Interaction · Computer Science 2026-02-05 Keyu Zhao , Fengli Xu , Yong Li , Tie-Yan Liu

Artificial intelligence (AI) is reshaping how research is conceived, conducted, and communicated across fields from chemistry to biomedicine. This commentary examines how AI is transforming the research workflow. AI systems now help…

Artificial Intelligence · Computer Science 2025-11-14 Maksim E. Eren , Dorianis M. Perez

Despite interdisciplinary research leading to larger and longer-term impact, most work remains confined to single-domain academic silos. Recent AI-based approaches to scientific discovery show promise for interdisciplinary research, but…

Computation and Language · Computer Science 2026-03-13 Priyanka Kargupta , Shuhaib Mehri , Dilek Hakkani-Tur , Jiawei Han

Self-supervised goal proposal and reaching is a key component for exploration and efficient policy learning algorithms. Such a self-supervised approach without access to any oracle goal sampling distribution requires deep exploration and…

Robotics · Computer Science 2021-04-28 Homanga Bharadhwaj , Animesh Garg , Florian Shkurti

Modern science is reaching a critical inflection point. Instruments across disciplines, from particle physics and astronomy to genomics and climate modeling, now produce data of such scale, diversity, and interdependence that traditional…

High Energy Physics - Experiment · Physics 2026-03-10 Ke Li , Beijiang Liu , Bruce Mellado , Changzheng Yuan , Zhengde Zhang

The emergence of Self-Driving Laboratories (SDLs) transforms scientific discovery methodology by integrating AI with robotic automation to create closed-loop experimental systems capable of autonomous hypothesis generation, experimentation,…

Robotics · Computer Science 2026-02-18 Zihan Zhang , Haohui Que , Junhan Chang , Xin Zhang , Hao Wei , Tong Zhu

Artificial intelligence (AI) is reshaping education, scientific training, and materials discovery. In materials science, AI models increasingly support property prediction, experiment prioritization, and hypothesis generation; however, the…

Physics Education · Physics 2026-05-12 Dongming Mei , Katherine Moore , Ben Sayler

The transition from static Large Language Models (LLMs) to self-improving agents is hindered by the lack of structured reasoning in traditional evolutionary approaches. Existing methods often struggle with premature convergence and…

Artificial Intelligence · Computer Science 2026-01-01 Chunhui Wan , Xunan Dai , Zhuo Wang , Minglei Li , Yanpeng Wang , Yinan Mao , Yu Lan , Zhiwen Xiao

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