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LLM-based agents are rapidly being adopted for scientific data analysis, automating tasks once limited by human time and expertise. This capability is often framed as an acceleration of discovery, but it also accelerates a familiar failure…

Artificial Intelligence · Computer Science 2026-05-21 Dionizije Fa , Marko Culjak

With the exponential increase in online scientific literature, identifying reliable domain-specific data has become increasingly important but also very challenging. Manual data collection and filtering for domain-specific scientific…

Information Retrieval · Computer Science 2026-03-10 Nikita Gautam , Doina Caragea , Ignacio Ciampitti , Federico Gomez

Large Language Models (LLMs) can be seen as compressed knowledge bases, but it remains unclear what knowledge they truly contain and how far their knowledge boundary extends. Existing benchmarks are mostly static and provide limited support…

Machine Learning · Computer Science 2026-05-27 Yuheng Yang , Siqi Zhu , Tao Feng , Ge Liu , Jiaxuan You

The process of scientific discovery relies on an interplay of observations, analysis, and hypothesis generation. Machine learning is increasingly being adopted to address individual aspects of this process. However, it remains an open…

Artificial Intelligence · Computer Science 2026-05-26 Maximilian Nägele , Florian Marquardt

Agent systems based on large language models (LLMs) have shown great potential in complex reasoning tasks, but building efficient and generalizable workflows remains a major challenge. Most existing approaches rely on manually designed…

Computation and Language · Computer Science 2025-10-01 Yanbo Wang , Zixiang Xu , Yue Huang , Xiangqi Wang , Zirui Song , Lang Gao , Chenxi Wang , Xiangru Tang , Yue Zhao , Arman Cohan , Xiangliang Zhang , Xiuying Chen

Large Language Models (LLMs) are increasingly applied in healthcare, yet ensuring their ethical integrity and safety compliance remains a major barrier to clinical deployment. This work introduces a multi-agent refinement framework designed…

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

Scientific algorithm discovery is iterative: hypotheses are proposed, implemented, stress-tested, and revised. Current LLM-guided search systems accelerate proposal generation, but often under-represent scientific structure by optimizing…

Machine Learning · Computer Science 2026-04-02 Youssef Mroueh , Carlos Fonseca , Brian Belgodere , David Cox

Despite strong results on many tasks, multimodal large language models (MLLMs) still underperform on visual mathematical problem solving, especially in reliably perceiving and interpreting diagrams. Inspired by human problem-solving, we…

Computer Vision and Pattern Recognition · Computer Science 2026-04-21 Shuhang Chen , Hangjie Yuan , Yunqiu Xu , Pengwei Liu , Tao Feng , Jun Cen , Zeying Huang , Yi Yang

The rapid advancement of large language models (LLMs) has opened new possibilities for automating the proposal of innovative scientific ideas. This process involves two key phases: literature retrieval and idea generation. However, existing…

Computation and Language · Computer Science 2025-02-18 Wenxiao Wang , Lihui Gu , Liye Zhang , Yunxiang Luo , Yi Dai , Chen Shen , Liang Xie , Binbin Lin , Xiaofei He , Jieping Ye

The rapid advancement of artificial intelligence, particularly autonomous agentic systems based on Large Language Models (LLMs), presents new opportunities to accelerate drug discovery by improving in-silico modeling and reducing dependence…

Agentic systems, in which diverse agents cooperate to tackle challenging problems, are exploding in popularity in the AI community. However, existing agentic frameworks take a relatively narrow view of agents, apply a centralized model, and…

Multiagent Systems · Computer Science 2026-01-30 Alok Kamatar , J. Gregory Pauloski , Yadu Babuji , Ryan Chard , Mansi Sakarvadia , Daniel Babnigg , Kyle Chard , Ian Foster

Large Language Models (LLMs) have enabled dynamic reasoning in automated data analytics, yet recent multi-agent systems remain limited by rigid, single-path workflows that restrict strategic exploration and often lead to suboptimal…

Artificial Intelligence · Computer Science 2026-01-08 Wonduk Seo , Juhyeon Lee , Yanjun Shao , Qingshan Zhou , Seunghyun Lee , Yi Bu

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…

Purpose: This paper introduces the concept of "Agentic Publication," a novel LLM-driven framework designed to complement traditional scientific publishing by transforming papers into interactive knowledge systems that address challenges…

Artificial Intelligence · Computer Science 2026-05-06 Roberto Pugliese , George Kourousias , Francesco Venier , Grazia Garlatti Costa

Scientific innovation relies on detailed workflows, which include critical steps such as analyzing literature, generating ideas, validating these ideas, interpreting results, and inspiring follow-up research. However, scientific…

Computation and Language · Computer Science 2024-06-11 Xingjian Zhang , Yutong Xie , Jin Huang , Jinge Ma , Zhaoying Pan , Qijia Liu , Ziyang Xiong , Tolga Ergen , Dongsub Shim , Honglak Lee , Qiaozhu Mei

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

The exponential growth of scientific literature poses unprecedented challenges for researchers attempting to synthesize knowledge across rapidly evolving fields. We present \textbf{Agentic AutoSurvey}, a multi-agent framework for automated…

Information Retrieval · Computer Science 2025-09-24 Yixin Liu , Yonghui Wu , Denghui Zhang , Lichao Sun

High-quality scientific review and perspective papers require substantial time and effort, limiting researchers' ability to synthesize emerging knowledge. While Large Language Models (LLMs) leverage AI Scientists for scientific workflows,…

Artificial Intelligence · Computer Science 2026-03-03 Sasi Kiran Gaddipati , Farhana Keya , Gollam Rabby , Sören Auer

Molecular property prediction and generative design via deep learning models has been the subject of intense research given its potential to accelerate development of new, high-performance materials. More recently, these workflows have been…

Artificial Intelligence · Computer Science 2024-12-16 Nathaniel H. Park , Tiffany J. Callahan , James L. Hedrick , Tim Erdmann , Sara Capponi
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