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A primary challenge facing modern scientific research is the limited availability of gold-standard data which can be costly, labor-intensive, or invasive to obtain. With the rapid development of machine learning (ML), scientists can now…

Methodology · Statistics 2024-09-17 Jiacheng Miao , Xinran Miao , Yixuan Wu , Jiwei Zhao , Qiongshi Lu

Artificial Intelligence (AI) is beginning to transform the research process by automating the discovery of new solutions. This shift depends on the availability of reliable verifiers, which AI-driven approaches require to validate candidate…

The design and development of effective drug formulations is a critical process in pharmaceutical research, particularly for small molecule active pharmaceutical ingredients. This paper introduces a novel agentic preformulation pathway…

Chemical Physics · Physics 2025-03-24 Julius Lange , Leonid Komissarov , Nicole Wyttenbach , Andrea Anelli

Recent research in robot exploration and mapping has focused on sampling environmental hotspot fields. This exploration task is formalized by Low, Dolan, and Khosla (2008) in a sequential decision-theoretic planning under uncertainty…

Machine Learning · Computer Science 2013-05-28 Kian Hsiang Low , John M. Dolan , Pradeep Khosla

Automated Scoring (AS), the natural language processing task of scoring essays and speeches in an educational testing setting, is growing in popularity and being deployed across contexts from government examinations to companies providing…

Computation and Language · Computer Science 2021-11-18 Yaman Kumar Singla , Sriram Krishna , Rajiv Ratn Shah , Changyou Chen

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 PaSa, an advanced Paper Search agent powered by large language models. PaSa can autonomously make a series of decisions, including invoking search tools, reading papers, and selecting relevant references, to ultimately obtain…

Information Retrieval · Computer Science 2025-05-28 Yichen He , Guanhua Huang , Peiyuan Feng , Yuan Lin , Yuchen Zhang , Hang Li , Weinan E

Automated scientific idea generation systems have made remarkable progress, yet the automatic evaluation of idea novelty remains a critical and underexplored challenge. Manual evaluation of novelty through literature review is…

Information Retrieval · Computer Science 2025-06-30 Simra Shahid , Marissa Radensky , Raymond Fok , Pao Siangliulue , Daniel S. Weld , Tom Hope

Large language models (LLMs) demonstrate exceptional performance across a variety of tasks, yet they are often affected by hallucinations and the timeliness of knowledge. Leveraging knowledge graphs (KGs) as external knowledge sources has…

Computation and Language · Computer Science 2024-12-31 Siyuan Fang , Kaijing Ma , Tianyu Zheng , Xinrun Du , Ningxuan Lu , Ge Zhang , Qingkun Tang

The integration of Agentic AI into scientific discovery marks a new frontier in research automation. These AI systems, capable of reasoning, planning, and autonomous decision-making, are transforming how scientists perform literature…

Computation and Language · Computer Science 2025-03-13 Mourad Gridach , Jay Nanavati , Khaldoun Zine El Abidine , Lenon Mendes , Christina Mack

This paper explores a top-down approach to automating incremental advances in machine learning research through component-level innovation, facilitated by Large Language Models (LLMs). Our framework systematically generates novel…

Machine Learning · Computer Science 2024-09-10 Shervin Ardeshir

Recent advancements in large language models (LLMs) have sparked optimism about their potential to accelerate scientific discovery, with a growing number of works proposing research agents that autonomously generate and validate new ideas.…

Computation and Language · Computer Science 2024-09-09 Chenglei Si , Diyi Yang , Tatsunori Hashimoto

Scientific discovery is an inherently creative and uncertain process, requiring reasoning beyond the recall of known knowledge. While many benchmarks have been proposed to evaluate large language model (LLM) performance on deep research…

Artificial Intelligence · Computer Science 2026-05-29 A. J. Lew , Y. Cao , M. J. Buehler

Modern AI assistants have made significant progress in natural language understanding and tool-use, with emerging efforts to interact with Web interfaces. However, current approaches that heavily rely on repeated LLM-driven HTML parsing are…

Artificial Intelligence · Computer Science 2025-04-07 Shambhavi Krishna , Zheng Chen , Yuan Ling , Xiaojiang Huang , Yingjie Li , Fan Yang , Xiang Li

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

Hallucinations in large language models (LLMs) present a growing challenge across real-world applications, from healthcare to law, where factual reliability is essential. Despite advances in alignment and instruction tuning, LLMs can still…

Computation and Language · Computer Science 2025-05-02 Makoto Sato

Scientific publication compresses a branching, iterative research process into a linear narrative, discarding the majority of what was discovered along the way. This compilation imposes two structural costs: a Storytelling Tax, where failed…

Conversational recommender systems (CRSs) operate under incremental preference revelation, requiring systems to make recommendation decisions under uncertainty. While recent approaches particularly those built on large language models…

Information Retrieval · Computer Science 2026-04-14 Subham Raj , Aman Vaibhav Jha , Mayank Anand , Sriparna Saha

Scientific discovery has long been constrained by human limitations in expertise, physical capability, and sleep cycles. The recent rise of AI scientists and automated laboratories has accelerated both the cognitive and operational aspects…

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.…

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