4 papers
Large Language Models as Topological Structure Enhancers for Text-Attributed Graphs
Shengyin Sun, Yuxiang Ren, Jiehao Chen +1
The latest advancements in large language models (LLMs) have revolutionized the field of natural language processing (NLP). Inspired by the success of LLMs in NLP tasks, some recen…
GDiffRetro: Retrosynthesis Prediction with Dual Graph Enhanced Molecular Representation and Diffusion Generation
Shengyin Sun, Wenhao Yu, Yuxiang Ren +5
Retrosynthesis prediction focuses on identifying reactants capable of synthesizing a target product. Typically, the retrosynthesis prediction involves two phases: Reaction Center I…
Sculpting Molecules in Text-3D Space: A Flexible Substructure Aware Framework for Text-Oriented Molecular Optimization
Kaiwei Zhang, Yange Lin, Guangcheng Wu +5
The integration of deep learning, particularly AI-Generated Content, with high-quality data derived from ab initio calculations has emerged as a promising avenue for transforming t…
Leveraging Large Language Models for Node Generation in Few-Shot Learning on Text-Attributed Graphs
Jianxiang Yu, Yuxiang Ren, Chenghua Gong +3
Text-attributed graphs have recently garnered significant attention due to their wide range of applications in web domains. Existing methodologies employ word embedding models for…