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Related papers: LLM-AutoSciLab: Closed-Loop Scientific Discovery v…

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The powerful reasoning capabilities of Large Language Models (LLMs) in mathematics and coding, combined with their ability to automate complex tasks through agentic frameworks, present unprecedented opportunities for accelerating scientific…

Artificial Intelligence · Computer Science 2025-05-27 Jiabin Tang , Lianghao Xia , Zhonghang Li , Chao Huang

Large Language Models (LLMs) are catalyzing a paradigm shift in scientific discovery, evolving from task-specific automation tools into increasingly autonomous agents and fundamentally redefining research processes and human-AI…

Computation and Language · Computer Science 2025-09-18 Tianshi Zheng , Zheye Deng , Hong Ting Tsang , Weiqi Wang , Jiaxin Bai , Zihao Wang , Yangqiu Song

There is growing interest in hypothesis generation with large language models (LLMs). However, fundamental questions remain: what makes a good hypothesis, and how can we systematically evaluate methods for hypothesis generation? To address…

Artificial Intelligence · Computer Science 2026-02-12 Haokun Liu , Sicong Huang , Jingyu Hu , Yangqiaoyu Zhou , Chenhao Tan

Recent advancements in large language model (LLM) agents have significantly accelerated scientific discovery automation, yet concurrently raised critical ethical and safety concerns. To systematically address these challenges, we introduce…

Artificial Intelligence · Computer Science 2025-05-30 Kunlun Zhu , Jiaxun Zhang , Ziheng Qi , Nuoxing Shang , Zijia Liu , Peixuan Han , Yue Su , Haofei Yu , Jiaxuan You

As scientific research becomes increasingly complex, innovative tools are needed to manage vast data, facilitate interdisciplinary collaboration, and accelerate discovery. Large language models (LLMs) are now evolving into LLM-based…

Artificial Intelligence · Computer Science 2026-02-03 Shuo Ren , Can Xie , Pu Jian , Zhenjiang Ren , Chunlin Leng , Jiajun Zhang

The success of large language models (LLMs) in scientific domains has heightened safety concerns, prompting numerous benchmarks to evaluate their scientific safety. Existing benchmarks often suffer from limited risk coverage and a reliance…

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

Despite long-standing efforts in accelerating scientific discovery with AI, building AI co-scientists remains challenging due to limited high-quality data for training and evaluation. To tackle this data scarcity issue, we present AutoSDT,…

Novelty detection in large scientific datasets faces two key challenges: the noisy and high-dimensional nature of experimental data, and the necessity of making statistically robust statements about any observed outliers. While there is a…

Accelerating scientific discovery requires the identification of which experiments would yield the best outcomes before committing resources to costly physical validation. While existing benchmarks evaluate LLMs on scientific knowledge and…

Designing experiments and result interpretations are core scientific competencies, particularly in biology, where researchers perturb complex systems to uncover the underlying systems. Recent efforts to evaluate the scientific capabilities…

Definitions are the foundation for any scientific work, but with a significant increase in publication numbers, gathering definitions relevant to any keyword has become challenging. We therefore introduce SciDef, an LLM-based pipeline for…

Information Retrieval · Computer Science 2026-02-06 Filip Kučera , Christoph Mandl , Isao Echizen , Radu Timofte , Timo Spinde

The rapid advancement in capabilities of large language models (LLMs) raises a pivotal question: How can LLMs accelerate scientific discovery? This work tackles the crucial first stage of research, generating novel hypotheses. While recent…

Artificial Intelligence · Computer Science 2025-05-27 Aniketh Garikaparthi , Manasi Patwardhan , Lovekesh Vig , Arman Cohan

Large Language Models (LLMs) often exhibit systematic errors on specific subsets of data, known as error slices. For instance, a slice can correspond to a certain demographic, where a model does poorly in identifying toxic comments…

Machine Learning · Computer Science 2025-11-27 Minhui Zhang , Prahar Ijner , Yoav Wald , Elliot Creager

Significant scientific discoveries have driven the progress of human civilisation. The explosion of scientific literature and data has created information barriers across disciplines that have slowed the pace of scientific discovery. Large…

Computation and Language · Computer Science 2023-11-13 Biqing Qi , Kaiyan Zhang , Haoxiang Li , Kai Tian , Sihang Zeng , Zhang-Ren Chen , Bowen Zhou

Mathematical equations have been unreasonably effective in describing complex natural phenomena across various scientific disciplines. However, discovering such insightful equations from data presents significant challenges due to the…

Machine Learning · Computer Science 2025-03-21 Parshin Shojaee , Kazem Meidani , Shashank Gupta , Amir Barati Farimani , Chandan K Reddy

Large Language Models (LLMs) are increasingly deployed as scientific AI as- sistants, and a growing body of benchmarks evaluates their capabilities across knowledge retrieval, reasoning, code generation, and tool use. These evaluations,…

Large Language Models (LLMs) have shown promise in assisting scientific discovery. However, such applications are currently limited by LLMs' deficiencies in understanding intricate scientific concepts, deriving symbolic equations, and…

Computation and Language · Computer Science 2024-11-19 Dan Zhang , Ziniu Hu , Sining Zhoubian , Zhengxiao Du , Kaiyu Yang , Zihan Wang , Yisong Yue , Yuxiao Dong , Jie Tang

Data-driven social science research is inherently slow, relying on iterative cycles of observation, hypothesis generation, and experimental validation. While recent data-driven methods promise to accelerate parts of this process, they…

Hypothesis generation is a fundamental step in scientific discovery, yet it is increasingly challenged by information overload and disciplinary fragmentation. Recent advances in Large Language Models (LLMs) have sparked growing interest in…