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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…

Medical research is risky and expensive. Drug discovery, as an example, requires that researchers efficiently winnow thousands of potential targets to a small candidate set for more thorough evaluation. However, research groups spend…

Machine Learning · Computer Science 2020-02-14 Justin Sybrandt , Ilya Tyagin , Michael Shtutman , Ilya Safro

Hypothesis generation is becoming a crucial time-saving technique which allows biomedical researchers to quickly discover implicit connections between important concepts. Typically, these systems operate on domain-specific fractions of…

Information Retrieval · Computer Science 2017-06-02 Justin Sybrandt , Michael Shtutman , Ilya Safro

Current AI-powered research systems adopt a direct search-then-summarize paradigm that treats hypotheses as end products of scientific discovery. We argue this leaves a critical gap: hypotheses can serve a far more powerful role as…

Artificial Intelligence · Computer Science 2026-05-12 Michael Chin

Understanding the relationships between biomedical terms like viruses, drugs, and symptoms is essential in the fight against diseases. Many attempts have been made to introduce the use of machine learning to the scientific process of…

Machine Learning · Computer Science 2024-03-14 Uchenna Akujuobi , Jun Chen , Mohamed Elhoseiny , Michael Spranger , Xiangliang Zhang

Modern scientific discovery faces growing challenges in integrating vast and heterogeneous knowledge critical to breakthroughs in biomedicine and drug development. Traditional hypothesis-driven research, though effective, is constrained by…

Human-Computer Interaction · Computer Science 2025-07-24 Haoran Jiang , Shaohan Shi , Yunjie Yao , Chang Jiang , Quan Li

The exponential growth of scientific knowledge has made the automated generation of scientific hypotheses that combine novelty, feasibility, and research value a core challenge. Existing methods based on large language models fail to…

Artificial Intelligence · Computer Science 2025-08-05 Shiyang Duan , Yuan Tian , Qi Bing , Xiaowei Shao

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 demonstrated great potential for automating the evaluation of natural language generation. Previous frameworks of LLM-as-a-judge fall short in two ways: they either use zero-shot setting without consulting…

Computation and Language · Computer Science 2025-04-11 Mingxuan Li , Hanchen Li , Chenhao Tan

The potential for automatic hypothesis generation (HG) systems to improve research productivity keeps pace with the growing set of publicly available scientific information. But as data becomes easier to acquire, we must understand the…

Information Retrieval · Computer Science 2018-10-23 Justin Sybrandt , Angelo Carrabba , Alexander Herzog , Ilya Safro

A clinical study is often necessary for exploring important research questions; however, this approach is sometimes time and money consuming. Another extreme approach, which is to collect and aggregate opinions from crowds, provides a…

Human-Computer Interaction · Computer Science 2022-05-17 Shoko Wakamiya , Toshiki Mera , Eiji Aramaki , Masaki Matsubara , Atsuyuki Morishima

Generating novel and creative scientific hypotheses is a cornerstone in achieving Artificial General Intelligence. Large language and reasoning models have the potential to aid in the systematic creation, selection, and validation of…

Computation and Language · Computer Science 2025-04-18 Charles O'Neill , Tirthankar Ghosal , Roberta Răileanu , Mike Walmsley , Thang Bui , Kevin Schawinski , Ioana Ciucă

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

Natural language generation (NLG) has received increasing attention, which has highlighted evaluation as a central methodological concern. Since human evaluations for these systems are costly, automatic metrics have broad appeal in NLG.…

Computation and Language · Computer Science 2019-08-01 Johnny Tian-Zheng Wei

Generating the Top-N recommendations from a large corpus is computationally expensive to perform at scale. Candidate generation and re-ranking based approaches are often adopted in industrial settings to alleviate efficiency problems.…

Information Retrieval · Computer Science 2019-09-13 Wang-Cheng Kang , Julian McAuley

Large Language models have demonstrated promising performance in research ideation across scientific domains. Hypothesis development, the process of generating a highly specific declarative statement connecting a research idea with…

Artificial Intelligence · Computer Science 2025-08-25 Rosni Vasu , Chandrayee Basu , Bhavana Dalvi Mishra , Cristina Sarasua , Peter Clark , Abraham Bernstein

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

Research is a fundamental process driving the advancement of human civilization, yet it demands substantial time and effort from researchers. In recent years, the rapid development of artificial intelligence (AI) technologies has inspired…

Artificial Intelligence · Computer Science 2025-11-24 Zekun Zhou , Xiaocheng Feng , Lei Huang , Xiachong Feng , Ziyun Song , Ruihan Chen , Liang Zhao , Weitao Ma , Yuxuan Gu , Baoxin Wang , Dayong Wu , Guoping Hu , Ting Liu , Bing Qin

Retrieval-Augmented Generation (RAG) improves Large Language Models (LLMs) by grounding generation in external, non-parametric knowledge. However, when a task requires choosing among competing options, simply grounding generation in broadly…

Computation and Language · Computer Science 2026-03-20 Hangeol Chang , Changsun Lee , Seungjoon Rho , Junho Yeo , Jong Chul Ye

While drug discovery is vital for human health, the process remains inefficient. Medicinal chemists must navigate a vast protein space to identify target proteins that meet three criteria: physical and functional interactions, therapeutic…

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