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While large language models (LLMs) have transformed AI agents into proficient executors of computational materials science, performing a hundred simulations does not make a researcher. What distinguishes research from routine execution is…

Computational Physics · Physics 2026-03-16 Haonan Huang

Recent advances in AI agents for software engineering and scientific discovery have demonstrated remarkable capabilities, yet their application to developing novel ranking models in commercial search engines remains unexplored. In this…

Information Retrieval · Computer Science 2026-03-25 Liwei Wu , Cho-Jui Hsieh

Recent advances in large language models (LLMs) have significantly impacted data science workflows, giving rise to specialized data science agents designed to automate analytical tasks. Despite rapid adoption, systematic benchmarks…

Artificial Intelligence · Computer Science 2025-08-08 Ram Mohan Rao Kadiyala , Siddhant Gupta , Jebish Purbey , Giulio Martini , Ali Shafique , Suman Debnath , Hamza Farooq

The rapid growth of scientific literature calls for automated methods to assess and predict research impact. Prior work has largely focused on citation-based metrics, leaving limited evaluation of models' capability to reason about other…

Computation and Language · Computer Science 2026-04-22 Hangxiao Zhu , Yuyu Zhang , Ping Nie , Yu Zhang

AI for science (AI4S) is an emerging research field that aims to enhance the accuracy and speed of scientific computing tasks using machine learning methods. Traditional AI benchmarking methods struggle to adapt to the unique challenges…

Machine Learning · Computer Science 2023-08-14 Yatao Li , Wanling Gao , Lei Wang , Lixin Sun , Zun Wang , Jianfeng Zhan

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

The automation of scientific discovery has been a long-standing goal within the research community, driven by the potential to accelerate knowledge creation. While significant progress has been made using commercial large language models…

Computation and Language · Computer Science 2025-03-11 Yixuan Weng , Minjun Zhu , Guangsheng Bao , Hongbo Zhang , Jindong Wang , Yue Zhang , Linyi Yang

As language models accelerate scientific research by automating hypothesis generation and implementation, a new bottleneck emerges: evaluating and filtering hundreds of AI-generated ideas without exhaustive experimentation. We ask whether…

Machine Learning · Computer Science 2026-05-22 Srujan P Mule , Aniketh Garikaparthi , Manasi Patwardhan

This paper examines how estimates of AI use in scientific writing can be biased when evaluation methods ignore contextual differences across countries and fields. Using large-scale data on journal publications from Dimensions, we construct…

Computation and Language · Computer Science 2026-05-27 Shang Wu , Randol Yao

Scientific research proceeds through iterative cycles of hypothesis generation, experiment design, execution, and revision. AI agents can automate parts of this process, but existing approaches typically follow a single research trajectory…

Artificial Intelligence · Computer Science 2026-05-28 Shanghua Gao , Ada Fang , Marinka Zitnik

Large Language Models (LLMs) are being increasingly employed in data science for tasks like data preprocessing and analytics. However, data scientists encounter substantial obstacles when conversing with LLM-powered chatbots and acting on…

Human-Computer Interaction · Computer Science 2023-10-26 Bhavya Chopra , Ananya Singha , Anna Fariha , Sumit Gulwani , Chris Parnin , Ashish Tiwari , Austin Z. Henley

Large Language Models (LLMs) have achieved significant advances in natural language processing, yet their potential for high-stake political decision-making remains largely unexplored. This paper addresses the gap by focusing on the…

Computation and Language · Computer Science 2026-01-26 Yueqing Liang , Liangwei Yang , Chen Wang , Congying Xia , Rui Meng , Xiongxiao Xu , Haoran Wang , Ali Payani , Kai Shu

Autonomous research systems capable of generating complete scientific manuscripts have advanced rapidly, yet robust and realistic evaluation frameworks have failed to keep pace. To bridge this gap, we introduce MLReplicate, an end-to-end…

Machine Learning · Computer Science 2026-05-19 Sasi Kiran Gaddipati , Diyana Muhammed , Farhana Keya , Gollam Rabby , Sören Auer

Scientific breakthroughs often emerge from synthesizing prior ideas into novel contributions. While language models (LMs) show promise in scientific discovery, their ability to perform this targeted, literature-grounded synthesis remains…

Computation and Language · Computer Science 2026-04-14 Joy He-Yueya , Anikait Singh , Ge Gao , Michael Y. Li , Sherry Yang , Chelsea Finn , Emma Brunskill , Noah D. Goodman

Scientific machine learning research spans diverse domains and data modalities, yet existing benchmark efforts remain siloed and lack standardization. This makes novel and transformative applications of machine learning to critical…

AI research agents have shown strong potential in automating literature search and manuscript refinement, yet most assume a clear and actionable initial input, operating only after a research question has been made explicit. In contrast,…

Artificial Intelligence · Computer Science 2026-05-08 Jie Yu , Song Qiu

The use of artificial intelligence (AI) in research across all disciplines is becoming ubiquitous. However, this ubiquity is largely driven by hyperspecific AI models developed during scientific studies for accomplishing a well-defined,…

Computers and Society · Computer Science 2023-12-19 Rishab Jain , Aditya Jain

Artificial intelligence and machine learning are reshaping how we approach scientific discovery, not by replacing established methods but by extending what researchers can probe, predict, and design. In this roadmap we provide a…

The rapid growth of scientific literature makes it challenging for researchers to identify novel and impactful ideas, especially across disciplines. Modern artificial intelligence (AI) systems offer new approaches, potentially inspiring…

Artificial Intelligence · Computer Science 2025-01-09 Xuemei Gu , Mario Krenn

Prediction of the future performance of academic journals is a task that can benefit a variety of stakeholders including editorial staff, publishers, indexing services, researchers, university administrators and granting agencies. Using…

Digital Libraries · Computer Science 2022-10-25 William Croft , Jörg-Rüdiger Sack
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