In plain words: A general-purpose language model reads the scientific literature to build extra knowledge and makes inferences straight from scientific data. Fed into a standard machine learning system, that knowledge beat the best current methods at predicting molecular properties and let it explain its answers.
Abstract
Large language models are a form of artificial intelligence systems whose primary knowledge consists of the statistical patterns, semantic relationships, and syntactical structures of language1. Despite their limited forms of "knowledge", these systems are adept at numerous complex tasks including creative writing, storytelling, translation, question-answering, summarization, and computer code generation. However, they have yet to demonstrate advanced applications in natural science. Here we show how large language models can perform scientific synthesis, inference, and explanation. We present a method for using general-purpose large language models to make inferences from scientific datasets of the form usually associated with special-purpose machine learning algorithms. We show that the large language model can augment this "knowledge" by synthesizing from the scientific literature. When a conventional machine learning system is augmented with this synthesized and inferred knowledge it can outperform the current state of the art across a range of benchmark tasks for predicting molecular properties. This approach has the further advantage that the large language model can explain the machine learning system's predictions. We anticipate that our framework will open new avenues for AI to accelerate the pace of scientific discovery.
Yizhen Zheng, Huan Yee Koh, Jiaxin Ju, Anh T. N. Nguyen, Lauren T. May, Geoffrey I. Webb, Shirui Pan
arXiv:2310.07984 · cs.AI, cs.CE · submitted Oct 12, 2023
abstract · pdf · Supplementary Information: https://drive.google.com/file/d/1KrpUpzuFTeMx6a6zl18lqdo8vV-UUa1Z/view?usp=sharing Github Repo: https://github.com/zyzisastudyreallyhardguy/LLM4SD