FARM: Functional Group-Aware Representations for Small Molecules

T Nguyen, KH Huang, G Liu, MD Burke, Y Diao… - arxiv preprint arxiv …, 2024 - arxiv.org
We introduce Functional Group-Aware Representations for Small Molecules (FARM), a
novel foundation model designed to bridge the gap between SMILES, natural language, and …

A Survey on Self-Supervised Graph Foundation Models: Knowledge-Based Perspective

Z Zhao, Y Su, Y Li, Y Zou, R Li, R Zhang - arxiv preprint arxiv:2403.16137, 2024 - arxiv.org
Graph self-supervised learning (SSL) is now a go-to method for pre-training graph
foundation models (GFMs). There is a wide variety of knowledge patterns embedded in the …

Exploring Hierarchical Molecular Graph Representation in Multimodal LLMs

C Hu, H Li, Y Yuan, J Li, I Tsang - arxiv preprint arxiv:2411.04708, 2024 - arxiv.org
Following the milestones in large language models (LLMs) and multimodal models, we have
seen a surge in applying LLMs to biochemical tasks. Leveraging graph features and …

[PDF][PDF] Hierarchical Tool Management: Structuring Active Solutions in Large Language Models

M Gupta, K Mehta, A Nair, S Desai, P Singh - 2024 - researchgate.net
Large language models (LLMs) have revolutionized various domains through their ability to
process and generate human-like text. However, effectively managing and retrieving tools …