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Molecular property prediction is a crucial foundation for drug discovery. In recent years, pre-trained deep learning models have been widely applied to this task. Some approaches that incorporate prior biological domain knowledge into the…

Machine Learning · Computer Science 2024-08-20 Tianyu Zhang , Yuxiang Ren , Chengbin Hou , Hairong Lv , Xuegong Zhang

Graph problems are fundamentally challenging for large language models (LLMs). While LLMs excel at processing unstructured text, graph tasks require reasoning over explicit structure, permutation invariance, and computationally complex…

Machine Learning · Computer Science 2026-04-23 Angelo Zangari , Peyman Baghershahi , Sourav Medya

Large language models (LLMs) are gaining increasing attention for their capability to process graphs with rich text attributes, especially in a zero-shot fashion. Recent studies demonstrate that LLMs obtain decent text classification…

Machine Learning · Computer Science 2024-06-18 Jin Huang , Xingjian Zhang , Qiaozhu Mei , Jiaqi Ma

Gestures perform a variety of communicative functions that powerfully influence human face-to-face interaction. How this communicative function is achieved varies greatly between individuals and depends on the role of the speaker and the…

Human-Computer Interaction · Computer Science 2023-10-24 Laura B. Hensel , Nutchanon Yongsatianchot , Parisa Torshizi , Elena Minucci , Stacy Marsella

Large language models (LLMs) show promising performance on small-scale graph reasoning tasks but fail when handling real-world graphs with complex queries. This phenomenon arises from LLMs' working memory constraints, which result in their…

Artificial Intelligence · Computer Science 2025-10-01 Rongzheng Wang , Shuang Liang , Qizhi Chen , Yihong Huang , Muquan Li , Yizhuo Ma , Dongyang Zhang , Ke Qin , Man-Fai Leung

Knowledge graphs play a vital role in numerous artificial intelligence tasks, yet they frequently face the issue of incompleteness. In this study, we explore utilizing Large Language Models (LLM) for knowledge graph completion. We consider…

Computation and Language · Computer Science 2025-02-14 Liang Yao , Jiazhen Peng , Chengsheng Mao , Yuan Luo

Heterogeneous graph neural networks (HGNNs) excel at capturing structural and semantic information in heterogeneous graphs (HGs), while struggling to generalize across domains and tasks. With the rapid advancement of large language models…

Social and Information Networks · Computer Science 2025-07-31 Jinyu Yang , Cheng Yang , Shanyuan Cui , Zeyuan Guo , Liangwei Yang , Muhan Zhang , Zhiqiang Zhang , Chuan Shi

Our research integrates graph data with Large Language Models (LLMs), which, despite their advancements in various fields using large text corpora, face limitations in encoding entire graphs due to context size constraints. This paper…

Computation and Language · Computer Science 2024-03-15 Debarati Das , Ishaan Gupta , Jaideep Srivastava , Dongyeop Kang

Large language models (LLMs) have shown significant progress in reasoning tasks. However, recent studies show that transformers and LLMs fail catastrophically once reasoning problems exceed modest complexity. We revisit these findings…

Artificial Intelligence · Computer Science 2025-10-28 Revanth Rameshkumar , Jimson Huang , Yunxin Sun , Fei Xia , Abulhair Saparov

Various human-designed prompt engineering techniques have been proposed to improve problem solvers based on Large Language Models (LLMs), yielding many disparate code bases. We unify these approaches by describing LLM-based agents as…

Artificial Intelligence · Computer Science 2024-08-23 Mingchen Zhuge , Wenyi Wang , Louis Kirsch , Francesco Faccio , Dmitrii Khizbullin , Jürgen Schmidhuber

Large Language Models (LLMs) have demonstrated strong reasoning abilities, making them suitable for complex tasks such as graph computation. Traditional reasoning steps paradigm for graph problems is hindered by unverifiable steps, limited…

Computation and Language · Computer Science 2024-10-28 Qifan Zhang , Xiaobin Hong , Jianheng Tang , Nuo Chen , Yuhan Li , Wenzhong Li , Jing Tang , Jia Li

The planning ability of Large Language Models (LLMs) has garnered increasing attention in recent years due to their remarkable capacity for multi-step reasoning and their ability to generalize across a wide range of domains. While some…

Artificial Intelligence · Computer Science 2025-02-19 Mohamed Aghzal , Erion Plaku , Gregory J. Stein , Ziyu Yao

Large Language Models (LLMs) with strong abilities in natural language processing tasks have emerged and have been applied in various kinds of areas such as science, finance and software engineering. However, the capability of LLMs to…

Computation and Language · Computer Science 2023-12-29 Taicheng Guo , Kehan Guo , Bozhao Nan , Zhenwen Liang , Zhichun Guo , Nitesh V. Chawla , Olaf Wiest , Xiangliang Zhang

Large Language Models (LLMs) have revolutionised the field of Natural Language Processing (NLP) and have achieved state-of-the-art performance in practically every task in this field. However, the prevalent approach used in text generation,…

Computation and Language · Computer Science 2024-08-12 Nicolo Micheletti , Samuel Belkadi , Lifeng Han , Goran Nenadic

Graph learning has attracted significant attention due to its widespread real-world applications. Current mainstream approaches rely on text node features and obtain initial node embeddings through shallow embedding learning using GNNs,…

Artificial Intelligence · Computer Science 2025-02-13 Chuanqi Shi , Yiyi Tao , Hang Zhang , Lun Wang , Shaoshuai Du , Yixian Shen , Yanxin Shen

Large language models (LLMs) have emerged as powerful tools for knowledge-intensive tasks across domains. In materials science, to find novel materials for various energy efficient devices for various real-world applications, requires…

Materials Science · Physics 2025-08-12 Agada Joseph Oche , Arpan Biswas

Combining multiple knowledge graphs (KGs) across linguistic boundaries is a persistent challenge due to semantic heterogeneity and the complexity of graph environments. We propose a framework for cross-lingual graph fusion, leveraging the…

Computation and Language · Computer Science 2026-03-24 Kaung Myat Kyaw , Khush Agarwal , Jonathan Chan

Node classification is a fundamental task in graph analysis, with broad applications across various fields. Recent breakthroughs in Large Language Models (LLMs) have enabled LLM-based approaches for this task. Although many studies…

Machine Learning · Computer Science 2025-05-21 Xixi Wu , Yifei Shen , Fangzhou Ge , Caihua Shan , Yizhu Jiao , Xiangguo Sun , Hong Cheng

Large language models (LLMs) struggle with the factual error during inference due to the lack of sufficient training data and the most updated knowledge, leading to the hallucination problem. Retrieval-Augmented Generation (RAG) has gained…

Information Retrieval · Computer Science 2026-01-22 Zulun Zhu , Tiancheng Huang , Kai Wang , Junda Ye , Xinghe Chen , Siqiang Luo

The growing importance of textual and relational systems has driven interest in enhancing large language models (LLMs) for graph-structured data, particularly Text-Attributed Graphs (TAGs), where samples are represented by textual…

Machine Learning · Computer Science 2025-01-28 Yuanfu Sun , Zhengnan Ma , Yi Fang , Jing Ma , Qiaoyu Tan