Large Language Models for Scientific Idea Generation: A Creativity-Centered Survey

Abstract

Scientific idea generation is central to discovery, requiring the joint satisfaction of novelty and scientific soundness. Unlike standard reasoning or general creative generation, scientific ideation is inherently open-ended and multi-objective, making its automation particularly challenging. Recent advances in large language models (LLMs) have enabled the generation of coherent and plausible scientific ideas, yet the nature and limits of their creative capabilities remain poorly understood. This survey provides a structured synthesis of methods for LLM-driven scientific ideation, focusing on how different approaches trade off novelty and scientific validity. We organize existing methods into five complementary families: External knowledge augmentation, Prompt-based distributional steering, Inference-time scaling, Multi-agent collaboration, and Parameter-level adaptation. To interpret their contributions, we adopt two complementary creativity frameworks: Boden’s taxonomy to characterize the expected level of creative novelty, and Rhodes’ 4Ps framework to analyze the aspects or sources of creativity emphasized by each method. By aligning methodological developments with cognitive creativity frameworks, this survey clarifies the evaluation landscape and identifies key challenges and directions for reliable and systematic LLM-based scientific discovery. © 2026, Transactions on Machine Learning Research. All rights reserved.