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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…

Large language models (LLMs) have shown potential in assisting scientific research, yet their ability to discover high-quality research hypotheses remains unexamined due to the lack of a dedicated benchmark. To address this gap, we…

Computation and Language · Computer Science 2026-04-21 Yujie Liu , Zonglin Yang , Tong Xie , Jinjie Ni , Ben Gao , Yuqiang Li , Shixiang Tang , Wanli Ouyang , Erik Cambria , Dongzhan Zhou

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

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…

Numerous math benchmarks exist to evaluate LLMs' mathematical capabilities. However, most involve extensive manual effort and are difficult to scale. Consequently, they cannot keep pace with LLM development or easily provide new instances…

Artificial Intelligence · Computer Science 2026-04-07 Jiayu Fu , Mourad Heddaya , Chenhao Tan

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-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

As the mathematical capabilities of large language models (LLMs) improve, it becomes increasingly important to evaluate their performance on research-level tasks at the frontier of mathematical knowledge. However, existing benchmarks are…

Large language models (LLMs) increasingly help people solve problems, from debugging code to repairing machinery. This process requires generating plausible hypotheses from partial descriptions, then updating them as more information…

Machine Learning · Computer Science 2026-05-08 Hua-Dong Xiong

Large language model (LLM)-based agents are increasingly used to solve complex tasks involving tool use, such as web browsing, code execution, and data analysis. However, current evaluation benchmarks do not adequately assess their ability…

Hallucinations pose a significant challenge to the reliability and alignment of Large Language Models (LLMs), limiting their widespread acceptance beyond chatbot applications. Despite ongoing efforts, hallucinations remain a prevalent…

Computation and Language · Computer Science 2024-02-27 Cem Uluoglakci , Tugba Taskaya Temizel

Large Language Models (LLMs) are transforming scientific hypothesis generation and validation by enabling information synthesis, latent relationship discovery, and reasoning augmentation. This survey provides a structured overview of…

Large language models (LLMs) have enabled a range of applications in zero-shot and few-shot learning settings, including the generation of synthetic datasets for training and testing. However, to reliably use these synthetic datasets, it is…

Computation and Language · Computer Science 2024-09-19 Gaurav Maheshwari , Dmitry Ivanov , Kevin El Haddad

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

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 rapid growth of biomedical knowledge has outpaced our ability to efficiently extract insights and generate novel hypotheses. Large language models (LLMs) have emerged as a promising tool to revolutionize knowledge interaction and…

Computation and Language · Computer Science 2024-07-16 Biqing Qi , Kaiyan Zhang , Kai Tian , Haoxiang Li , Zhang-Ren Chen , Sihang Zeng , Ermo Hua , Hu Jinfang , Bowen Zhou

Effective generation of novel hypotheses is instrumental to scientific progress. So far, researchers have been the main powerhouse behind hypothesis generation by painstaking data analysis and thinking (also known as the Eureka moment). In…

Artificial Intelligence · Computer Science 2024-12-20 Yangqiaoyu Zhou , Haokun Liu , Tejes Srivastava , Hongyuan Mei , Chenhao Tan

AI holds promise for transforming scientific processes, including hypothesis generation. Prior work on hypothesis generation can be broadly categorized into theory-driven and data-driven approaches. While both have proven effective in…

Artificial Intelligence · Computer Science 2025-01-10 Haokun Liu , Yangqiaoyu Zhou , Mingxuan Li , Chenfei Yuan , Chenhao Tan

Large language models (LLMs) have shown significant potential in scientific disciplines such as biomedicine, particularly in hypothesis generation, where they can analyze vast literature, identify patterns, and suggest research directions.…

Computation and Language · Computer Science 2025-06-10 Guangzhi Xiong , Eric Xie , Corey Williams , Myles Kim , Amir Hassan Shariatmadari , Sikun Guo , Stefan Bekiranov , Aidong Zhang

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
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