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 introduce the first large-scale benchmark for evaluating LLMs on a sufficient set of scientific discovery sub-tasks—inspiration retrieval, hypothesis composition, and hypothesis ranking—where sufficient means that perfectly solving these sub-tasks perfectly solves the overall discovery task. We develop an automated LLM-based framework that extracts critical components—research questions, background surveys, inspirations, and hypotheses—from papers across 12 disciplines, with expert validation confirming its accuracy. To prevent data contamination, we focus exclusively on publications from 2024 onward, ensuring minimal overlap with LLM pretraining data; our automated framework further enables automatic extraction of even more recent papers as LLM pretraining cutoffs advance, supporting scalable and contamination-free automatic renewal of this discovery benchmark. Our evaluation shows that, across disciplines, LLMs excel at inspiration retrieval—an out-of-distribution task—suggesting their ability to surface novel knowledge associations.

The rapid advancement of scientific progress requires innovative tools that can accelerate knowledge discovery. Although recent AI methods, particularly large language models (LLMs), have shown promise in tasks such as hypothesis generation and experimental design, they fall short of replicating the collaborative nature of real-world scientific practices, where diverse experts work together in teams to tackle complex problems. To address the limitations, we propose an LLM-based multi-agent system, i.e., Virtual Scientists (VIRSCI), designed to mimic the teamwork inherent in scientific research. VIRSCI organizes a team of agents to collaboratively generate, evaluate, and refine research ideas. Through comprehensive experiments, we demonstrate that this multi-agent approach outperforms the state-of-the-art method in producing novel scientific ideas. We further investigate the collaboration mechanisms that contribute to its tendency to produce ideas with higher novelty, offering valuable insights to guide future research and illuminating pathways toward building a robust system for autonomous scientific discovery. The code is available at https://github.com/open-sciencelab/Virtual-Scientists.