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.

Ensuring the trustworthiness of large language models (LLMs) is crucial. Most studies concentrate on fully pre-trained LLMs to better understand and improve LLMs’ trustworthiness. In this paper, to reveal the untapped potential of pre-training, we pioneer the exploration of LLMs’ trustworthiness during this period, focusing on five key dimensions: reliability, privacy, toxicity, fairness, and robustness. To begin with, we apply linear probing to LLMs. The high probing accuracy suggests that LLMs in early pre-training can already distinguish concepts in each trustworthiness dimension. Therefore, to further uncover the hidden possibilities of pre-training, we extract steering vectors from a LLM’s pre-training checkpoints to enhance the LLM’s trustworthiness. Finally, inspired by the theoretical result that mutual information estimation is bounded by linear probing accuracy, we also probe LLMs with mutual information to investigate the dynamics of trustworthiness during pre-training. We are the first to observe a similar two-phase phenomenon: fitting and compression. This research provides an initial exploration of trustworthiness modeling during LLM pre-training, seeking to unveil new insights and spur further developments in the field.