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Related papers: G2T-LLM: Graph-to-Tree Text Encoding for Molecule …

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While Large Language Models (LLMs) have shown exceptional generalization capabilities, their ability to process graph data, such as molecular structures, remains limited. To bridge this gap, this paper proposes Graph2Token, an efficient…

Machine Learning · Computer Science 2025-03-11 Runze Wang , Mingqi Yang , Yanming Shen

Large-scale pre-trained language models (PLMs) have advanced Graph-to-Text (G2T) generation by processing the linearised version of a graph. However, the linearisation is known to ignore the structural information. Additionally, PLMs are…

Computation and Language · Computer Science 2022-10-20 Jiuzhou Han , Ehsan Shareghi

Recently, the emergence of large language models (LLMs) has motivated integrating language descriptions into graphs, forming text-attributed graphs (TAGs) that enhance model encoding capabilities from a data-centric perspective. A review of…

Machine Learning · Computer Science 2026-02-03 Zhihan Zhang , Xunkai Li , Lei Zhu , Guang Zeng , Bowen Fan , Yanzhe Wen , Hongchao Qin , Rong-Hua Li , Guoren Wang

Large language models (LLMs) are introducing a paradigm shift in molecular discovery by enabling text-guided interaction with chemical spaces through natural language, symbolic notations, with emerging extensions to incorporate multi-modal…

Machine Learning · Computer Science 2025-05-23 Ziqing Wang , Kexin Zhang , Zihan Zhao , Yibo Wen , Abhishek Pandey , Han Liu , Kaize Ding

Large language models (LLMs) have demonstrated immense potential across various tasks. However, research for exploring and improving the capabilities of LLMs in interpreting graph structures remains limited. To address this gap, we conduct…

Computation and Language · Computer Science 2025-02-17 Jie He , Yijun Yang , Wanqiu Long , Deyi Xiong , Victor Gutierrez-Basulto , Jeff Z. Pan

Graph-to-text generation has benefited from pre-trained language models (PLMs) in achieving better performance than structured graph encoders. However, they fail to fully utilize the structure information of the input graph. In this paper,…

Computation and Language · Computer Science 2025-06-11 Qingyun Wang , Semih Yavuz , Victoria Lin , Heng Ji , Nazneen Rajani

Using Large Language Models (LLMs) to process graph-structured data is an active research area, yet current state-of-the-art approaches typically rely on multi-step pipelines with Graph Neural Network (GNN) encoders that compress rich…

Machine Learning · Computer Science 2026-05-12 Dario Vajda

Accurate molecular property prediction is a critical challenge with wide-ranging applications in chemistry, materials science, and drug discovery. Molecular representation methods, including fingerprints and graph neural networks (GNNs),…

Machine Learning · Computer Science 2025-08-13 Jiaxin Ju , Yizhen Zheng , Huan Yee Koh , Can Wang , Shirui Pan

Integrating large language models (LLMs) with knowledge graphs derived from domain-specific data represents an important advancement towards more powerful and factual reasoning. As these models grow more capable, it is crucial to enable…

Artificial Intelligence · Computer Science 2024-04-19 Stefan Dernbach , Khushbu Agarwal , Alejandro Zuniga , Michael Henry , Sutanay Choudhury

Large Language Models (LLMs) have demonstrated strong capabilities in various natural language processing tasks; however, their application to graph-related problems remains limited, primarily due to scalability constraints and the absence…

Machine Learning · Computer Science 2025-05-08 Hyun Lee , Chris Yi , Maminur Islam , B. D. S. Aritra

The application of large language models (LLMs) to graph data has attracted a lot of attention recently. LLMs allow us to use deep contextual embeddings from pretrained models in text-attributed graphs, where shallow embeddings are often…

Artificial Intelligence · Computer Science 2025-02-19 Shima Khoshraftar , Niaz Abedini , Amir Hajian

Knowledge Graph-to-Text (G2T) generation involves verbalizing structured knowledge graphs into natural language text. Recent advancements in Pretrained Language Models (PLMs) have improved G2T performance, but their effectiveness depends on…

Computation and Language · Computer Science 2024-09-12 Daehee Kim , Deokhyung Kang , Sangwon Ryu , Gary Geunbae Lee

Graph-structured data is prevalent in the real world. Recently, due to the powerful emergent capabilities, Large Language Models (LLMs) have shown promising performance in modeling graphs. The key to effectively applying LLMs on graphs is…

Computation and Language · Computer Science 2024-10-16 Haitong Luo , Xuying Meng , Suhang Wang , Tianxiang Zhao , Fali Wang , Hanyun Cao , Yujun Zhang

Advances in Large Language Models (LLMs) have led to remarkable capabilities, yet their inner mechanisms remain largely unknown. To understand these models, we need to unravel the functions of individual neurons and their contribution to…

Machine Learning · Computer Science 2023-06-01 Alex Foote , Neel Nanda , Esben Kran , Ioannis Konstas , Shay Cohen , Fazl Barez

Large language models (LLMs) have achieved great success in many fields, and recent works have studied exploring LLMs for graph discriminative tasks such as node classification. However, the abilities of LLMs for graph generation remain…

Machine Learning · Computer Science 2024-03-22 Yang Yao , Xin Wang , Zeyang Zhang , Yijian Qin , Ziwei Zhang , Xu Chu , Yuekui Yang , Wenwu Zhu , Hong Mei

Graphs are data structures used to represent irregular networks and are prevalent in numerous real-world applications. Previous methods directly model graph structures and achieve significant success. However, these methods encounter…

Machine Learning · Computer Science 2025-01-03 Shuo Yu , Yingbo Wang , Ruolin Li , Guchun Liu , Yanming Shen , Shaoxiong Ji , Bowen Li , Fengling Han , Xiuzhen Zhang , Feng Xia

Molecular Relational Learning (MRL), aiming to understand interactions between molecular pairs, plays a pivotal role in advancing biochemical research. Recently, the adoption of large language models (LLMs), known for their vast knowledge…

Quantitative Methods · Quantitative Biology 2024-06-11 Junfeng Fang , Shuai Zhang , Chang Wu , Zhengyi Yang , Zhiyuan Liu , Sihang Li , Kun Wang , Wenjie Du , Xiang Wang

Large language models (LLMs), such as GPT4 and LLaMA, are creating significant advancements in natural language processing, due to their strong text encoding/decoding ability and newly found emergent capability (e.g., reasoning). While LLMs…

Computation and Language · Computer Science 2024-11-22 Bowen Jin , Gang Liu , Chi Han , Meng Jiang , Heng Ji , Jiawei Han

Large language models (LLMs) are being increasingly explored for graph tasks. Despite their remarkable success in text-based tasks, LLMs' capabilities in understanding explicit graph structures remain limited, particularly with large…

Machine Learning · Computer Science 2024-10-31 Sambhav Khurana , Xiner Li , Shurui Gui , Shuiwang Ji

Recent efforts leverage Large Language Models (LLMs) for modeling text-attributed graph structures in node classification tasks. These approaches describe graph structures for LLMs to understand or aggregate LLM-generated textual attribute…

Computation and Language · Computer Science 2025-05-27 Huachi Zhou , Jiahe Du , Chuang Zhou , Chang Yang , Yilin Xiao , Yuxuan Xie , Xiao Huang
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