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Graph Transformers have recently attracted attention for molecular property prediction by combining the inductive biases of graph neural networks (GNNs) with the global receptive field of Transformers. However, many existing hybrid…

Machine Learning · Computer Science 2026-04-09 Yi Yang , Ovidiu Daescu

Graph Neural Networks (GNNs) have empowered the advance in graph-structured data analysis. Recently, the rise of Large Language Models (LLMs) like GPT-4 has heralded a new era in deep learning. However, their application to graph data poses…

Machine Learning · Computer Science 2024-04-12 Runjin Chen , Tong Zhao , Ajay Jaiswal , Neil Shah , Zhangyang Wang

The de novo generation of molecules with desirable properties is a critical challenge, where diffusion models are computationally intensive and autoregressive models struggle with error propagation. In this work, we introduce the Graph…

Machine Learning · Computer Science 2025-12-03 Haozhuo Zheng , Cheng Wang , Yang Liu

Large language models (LLMs) often struggle with knowledge-intensive tasks due to hallucinations and outdated parametric knowledge. While Retrieval-Augmented Generation (RAG) addresses this by integrating external corpora, its effectiveness…

Computation and Language · Computer Science 2026-02-04 Su Dong , Qinggang Zhang , Yilin Xiao , Shengyuan Chen , Chuang Zhou , Xiao Huang

Significant efforts have been dedicated to integrating the powerful Large Language Models (LLMs) with diverse modalities, particularly focusing on the fusion of language, vision and audio data. However, the graph-structured data, which is…

Computation and Language · Computer Science 2024-12-31 Zipeng Liu , Likang Wu , Ming He , Zhong Guan , Hongke Zhao , Nan Feng

Knowledge graphs (KGs) are crucial for representing and reasoning over structured information, supporting a wide range of applications such as information retrieval, question answering, and decision-making. However, their effectiveness is…

Computation and Language · Computer Science 2024-12-13 Udari Madhushani Sehwag , Kassiani Papasotiriou , Jared Vann , Sumitra Ganesh

Although Large Language Models (LLMs) have demonstrated potential in processing graphs, they struggle with comprehending graphical structure information through prompts of graph description sequences, especially as the graph size increases.…

Computation and Language · Computer Science 2024-12-17 Yukun Cao , Shuo Han , Zengyi Gao , Zezhong Ding , Xike Xie , S. Kevin Zhou

Real-world multimodal knowledge graphs (MKGs) are inherently heterogeneous, modeling entities that are associated with diverse modalities. Traditional knowledge graph embedding (KGE) methods excel at learning continuous representations of…

Artificial Intelligence · Computer Science 2026-03-16 Athanasios Efthymiou , Stevan Rudinac , Monika Kackovic , Nachoem Wijnberg , Marcel Worring

Graph-based tasks in the zero-shot setting remain a significant challenge due to data scarcity and the inability of traditional Graph Neural Networks (GNNs) to generalize to unseen domains or label spaces. While recent advancements have…

Machine Learning · Computer Science 2026-05-22 Fengzhi Li , Liang Zhang , Yuan Zuo , Ruiqing Zhao , YanSong Liu , Yunfei Ma , Fanyu Meng , Junlan Feng

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 have shown remarkable language processing and reasoning ability but are prone to hallucinate when asked about private data. Retrieval-augmented generation (RAG) retrieves relevant data that fit into an LLM's context…

Machine Learning · Computer Science 2025-11-13 Alfred Clemedtson , Borun Shi

This study aims to optimize the existing retrieval-augmented generation model (RAG) by introducing a graph structure to improve the performance of the model in dealing with complex knowledge reasoning tasks. The traditional RAG model has…

Information Retrieval · Computer Science 2024-11-07 Yuxin Dong , Shuo Wang , Hongye Zheng , Jiajing Chen , Zhenhong Zhang , Chihang Wang

Graph generation is a crucial task in many fields, including network science and bioinformatics, as it enables the creation of synthetic graphs that mimic the properties of real-world networks for various applications. Graph Generative…

Machine Learning · Computer Science 2026-01-21 Salvatore Romano , Marco Grassia , Giuseppe Mangioni

In precision medicine, quantitative multi-omic features, topological context, and textual biological knowledge play vital roles in identifying disease-critical signaling pathways and targets. Existing pipelines capture only part of…

Artificial Intelligence · Computer Science 2025-12-17 Heming Zhang , Di Huang , Wenyu Li , Michael Province , Yixin Chen , Philip Payne , Fuhai Li

Large language models (LLMs) have shown strong potential across a variety of tasks, but their application in the telecom field remains challenging due to domain complexity, evolving standards, and specialized terminology. Therefore,…

Artificial Intelligence · Computer Science 2026-02-20 Dun Yuan , Hao Zhou , Xue Liu , Hao Chen , Yan Xin , Jianzhong , Zhang

Recent work has shown the capability of Large Language Models (LLMs) to solve tasks related to Knowledge Graphs, such as Knowledge Graph Completion, even in Zero- or Few-Shot paradigms. However, they are known to hallucinate answers, or…

Computation and Language · Computer Science 2024-07-19 Vasile Ionut Remus Iga , Gheorghe Cosmin Silaghi

There is a growing body of work on using Graph Neural Networks (GNNs) to learn representations of circuits, focusing primarily on their static characteristics. However, these models fail to capture circuit runtime behavior, which is crucial…

Machine Learning · Computer Science 2025-11-14 Ruiyang Ma , Yunhao Zhou , Yipeng Wang , Yi Liu , Zhengyuan Shi , Ziyang Zheng , Kexin Chen , Zhiqiang He , Lingwei Yan , Gang Chen , Qiang Xu , Guojie Luo

Task planning in language agents is emerging as an important research topic alongside the development of large language models (LLMs). It aims to break down complex user requests in natural language into solvable sub-tasks, thereby…

Machine Learning · Computer Science 2024-10-29 Xixi Wu , Yifei Shen , Caihua Shan , Kaitao Song , Siwei Wang , Bohang Zhang , Jiarui Feng , Hong Cheng , Wei Chen , Yun Xiong , Dongsheng Li

Chart question answering (ChartQA) is challenged by the heterogeneous composition of chart elements and the subtle data patterns they encode. This work introduces a novel joint multimodal scene graph framework that explicitly models the…

Computation and Language · Computer Science 2025-04-08 Yue Dai , Soyeon Caren Han , Wei Liu

Given a graph with textual attributes, we enable users to `chat with their graph': that is, to ask questions about the graph using a conversational interface. In response to a user's questions, our method provides textual replies and…

Machine Learning · Computer Science 2024-05-28 Xiaoxin He , Yijun Tian , Yifei Sun , Nitesh V. Chawla , Thomas Laurent , Yann LeCun , Xavier Bresson , Bryan Hooi