Optimizing External and Internal Knowledge of Foundation Models for Scientific Discovery

In the emerging landscape of AI-driven scientific discovery, foundation models hold significant promise for enhancing research ideation and overall scientific advancement. This paper explores a future where foundation models should be able to effectively utilize both external and internal knowledge sources to maximize their role in scientific discovery. The core challenge lies in optimizing two knowledge types: external knowledge, drawn from diverse data sources, and internal knowledge, the parametric understanding acquired during training. We propose a dual-framework solution for this optimization, including X-augmented generation and in-context X learning. X-augmented generation approaches, such as retrieval-augmented generation, knowledge graph-augmented generation, and third-party tool integration, enhance external knowledge processing. In-context X learning methods, including in-context adversarial learning and in-context reinforcement learning, improve models’ internal knowledge adaptation and utility for scientific tasks. We aim to inspire the research community by proposing a bold pathway toward leveraging foundation models as active participants in scientific discovery, tackling the inherent complexity of optimizing vast, multimodal knowledge sources. By addressing this challenge, we envision a future where foundation models catalyze breakthroughs across disciplines, ultimately leading to a more dynamic, collaborative, and insight-driven scientific process.