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Related papers: ResearchBench: Benchmarking LLMs in Scientific Dis…

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Can the rapid advances in code generation, function calling, and data analysis using large language models (LLMs) help automate the search and verification of hypotheses purely from a set of provided datasets? To evaluate this question, we…

Large Language Models (LLMs) have transformed how people interact with artificial intelligence (AI) systems, achieving state-of-the-art results in various tasks, including scientific discovery and hypothesis generation. However, the lack of…

Computation and Language · Computer Science 2024-11-06 Sikun Guo , Amir Hassan Shariatmadari , Guangzhi Xiong , Albert Huang , Eric Xie , Stefan Bekiranov , Aidong Zhang

Given the remarkable performance of Large Language Models (LLMs), an important question arises: Can LLMs conduct human-like scientific research and discover new knowledge, and act as an AI scientist? Scientific discovery is an iterative…

Machine Learning · Computer Science 2025-02-24 Tingting Chen , Srinivas Anumasa , Beibei Lin , Vedant Shah , Anirudh Goyal , Dianbo Liu

Scientific discovery plays a pivotal role in advancing human society, and recent progress in large language models (LLMs) suggests their potential to accelerate this process. However, it remains unclear whether LLMs can autonomously…

Computation and Language · Computer Science 2025-10-28 Zonglin Yang , Wanhao Liu , Ben Gao , Tong Xie , Yuqiang Li , Wanli Ouyang , Soujanya Poria , Erik Cambria , Dongzhan Zhou

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

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…

Scientific equation discovery is a fundamental task in the history of scientific progress, enabling the derivation of laws governing natural phenomena. Recently, Large Language Models (LLMs) have gained interest for this task due to their…

Computation and Language · Computer Science 2025-06-10 Parshin Shojaee , Ngoc-Hieu Nguyen , Kazem Meidani , Amir Barati Farimani , Khoa D Doan , Chandan K Reddy

Most of the existing Large Language Model (LLM) benchmarks on scientific problem reasoning focus on problems grounded in high-school subjects and are confined to elementary algebraic operations. To systematically examine the reasoning…

Computation and Language · Computer Science 2024-07-01 Xiaoxuan Wang , Ziniu Hu , Pan Lu , Yanqiao Zhu , Jieyu Zhang , Satyen Subramaniam , Arjun R. Loomba , Shichang Zhang , Yizhou Sun , Wei Wang

We present a new approach for benchmarking Large Language Model (LLM) capabilities on research-level mathematics. Existing benchmarks largely rely on static, hand-curated sets of contest or textbook-style problems as proxies for…

Artificial Intelligence · Computer Science 2026-03-02 Antoine Peyronnet , Fabian Gloeckle , Amaury Hayat

The advancements of large language models (LLMs) have piqued growing interest in developing LLM-based language agents to automate scientific discovery end-to-end, which has sparked both excitement and skepticism about their true…

Large-scale Language Models (LLMs) have revolutionized human-AI interaction and achieved significant success in the generation of novel ideas. However, current assessments of idea generation overlook crucial factors such as knowledge…

Artificial Intelligence · Computer Science 2025-05-27 Yansheng Qiu , Haoquan Zhang , Zhaopan Xu , Ming Li , Diping Song , Zheng Wang , Kaipeng Zhang

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

The capacity of Large Language Models (LLMs) to generate valid scientific hypotheses for materials synthesis remains largely unquantified, hindered by the absence of benchmarks probing physicochemical logics reasoning. To address this, we…

Materials Science · Physics 2025-10-01 Yingming Pu , Tao Lin , Hongyu Chen

Large language models (LLMs) have demonstrated significant potential to accelerate scientific discovery as valuable tools for analyzing data, generating hypotheses, and supporting innovative approaches in various scientific fields. In this…

Computation and Language · Computer Science 2025-10-30 Jin Huang , Silviu Cucerzan , Sujay Kumar Jauhar , Ryen W. White

Large language models (LLMs) are incredible and versatile tools for text-based tasks that have enabled countless, previously unimaginable, applications. Retrieval models, in contrast, have not yet seen such capable general-purpose models…

Information Retrieval · Computer Science 2025-09-10 Julian Killingback , Hamed Zamani

With recent Nobel Prizes recognising AI contributions to science, Large Language Models (LLMs) are transforming scientific research by enhancing productivity and reshaping the scientific method. LLMs are now involved in experimental design,…

Large Language Models (LLMs) have recently achieved impressive performance in math and reasoning benchmarks. However, they often struggle with logic problems and puzzles that are relatively easy for humans. To further investigate this, we…

Artificial Intelligence · Computer Science 2025-09-16 Nasim Borazjanizadeh , Roei Herzig , Trevor Darrell , Rogerio Feris , Leonid Karlinsky

Large language models (LLMs) have sparked growing interest in machine learning research agents that can autonomously propose ideas and conduct experiments. However, existing benchmarks predominantly adopt an engineering-oriented…

Computation and Language · Computer Science 2026-02-26 Qiran Zou , Hou Hei Lam , Wenhao Zhao , Yiming Tang , Tingting Chen , Samson Yu , Tianyi Zhang , Chang Liu , Xiangyang Ji , Dianbo Liu

Large language models (LLMs) have become important tools in solving biological problems, offering improvements in accuracy and adaptability over conventional methods. Several benchmarks have been proposed to evaluate the performance of…

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