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Recent years have witnessed the great success of Graph Neural Networks (GNNs) in handling graph-related tasks. However, MLPs remain the primary workhorse for practical industrial applications due to their desirable inference efficiency and…

机器学习 · 计算机科学 2023-06-06 Lirong Wu , Haitao Lin , Yufei Huang , Tianyu Fan , Stan Z. Li

How can we learn effective node representations on textual graphs? Graph Neural Networks (GNNs) that use Language Models (LMs) to encode textual information of graphs achieve state-of-the-art performance in many node classification tasks.…

In the field of chemistry, the objective is to create novel molecules with desired properties, facilitating accurate property predictions for applications such as material design and drug screening. However, existing graph deep learning…

机器学习 · 计算机科学 2024-08-28 Sakhinana Sagar Srinivas , Venkataramana Runkana

Graph mining is an important area in data mining and machine learning that involves extracting valuable information from graph-structured data. In recent years, significant progress has been made in this field through the development of…

机器学习 · 计算机科学 2024-12-30 Yuxin You , Zhen Liu , Xiangchao Wen , Yongtao Zhang , Wei Ai

Graph Neural Networks (GNNs) are popular for graph machine learning and have shown great results on wide node classification tasks. Yet, they are less popular for practical deployments in the industry owing to their scalability challenges…

机器学习 · 计算机科学 2022-03-24 Shichang Zhang , Yozen Liu , Yizhou Sun , Neil Shah

Code Language Models (codeLMs) and Graph Neural Networks (GNNs) are widely used in code vulnerability detection. However, GNNs often rely on aggregating information from adjacent nodes, limiting structural information propagation across…

密码学与安全 · 计算机科学 2025-03-24 Ruitong Liu , Yanbin Wang , Haitao Xu , Jianguo Sun , Fan Zhang , Peiyue Li , Zhenhao Guo

Predicting molecular properties is a critical component of drug discovery. Recent advances in deep learning, particularly Graph Neural Networks (GNNs), have enabled end-to-end learning from molecular structures, reducing reliance on manual…

计算与语言 · 计算机科学 2025-09-26 Peng Zhou , Lai Hou Tim , Zhixiang Cheng , Kun Xie , Chaoyi Li , Wei Liu , Xiangxiang Zeng

GNN-to-MLP (G2M) methods have emerged as a promising approach to accelerate Graph Neural Networks (GNNs) by distilling their knowledge into simpler Multi-Layer Perceptrons (MLPs). These methods bridge the gap between the expressive power of…

机器学习 · 计算机科学 2025-07-28 Weigang Lu , Ziyu Guan , Wei Zhao , Yaming Yang , Yujie Sun , Zheng Liang , Yibing Zhan , Dapeng Tao

Large Language Models (LLMs) face significant limitations when applied to large-scale graphs, struggling with context constraints and inflexible reasoning. We present GraphChain, a framework that enables LLMs to analyze complex graphs…

人工智能 · 计算机科学 2025-11-11 Chunyu Wei , Wenji Hu , Xingjia Hao , Xin Wang , Yifan Yang , Yueguo Chen , Yang Tian , Yunhai Wang

Graphs play an important role in representing complex relationships in various domains like social networks, knowledge graphs, and molecular discovery. With the advent of deep learning, Graph Neural Networks (GNNs) have emerged as a…

机器学习 · 计算机科学 2024-06-05 Wenqi Fan , Shijie Wang , Jiani Huang , Zhikai Chen , Yu Song , Wenzhuo Tang , Haitao Mao , Hui Liu , Xiaorui Liu , Dawei Yin , Qing Li

The message-passing mechanism helps Graph Neural Networks (GNNs) achieve remarkable results on various node classification tasks. Nevertheless, the recursive nodes fetching and aggregation in message-passing cause inference latency when…

机器学习 · 计算机科学 2022-10-19 Jie Chen , Shouzhen Chen , Mingyuan Bai , Junbin Gao , Junping Zhang , Jian Pu

While Language Models (LMs) are the workhorses of NLP, their interplay with structured knowledge graphs (KGs) is still actively researched. Current methods for encoding such graphs typically either (i) linearize them for embedding with LMs…

计算与语言 · 计算机科学 2024-06-04 Moritz Plenz , Anette Frank

We study the challenging problem for inference tasks on large-scale graph datasets of Graph Neural Networks: huge time and memory consumption, and try to overcome it by reducing reliance on graph structure. Even though distilling graph…

机器学习 · 计算机科学 2024-03-05 Junxian Li , Bin Shi , Erfei Cui , Hua Wei , Qinghua Zheng

Graph Neural Networks (GNNs) are the currently most effective methods for predicting molecular properties but there remains a need for more accurate models. GNN accuracy can be improved by increasing the model complexity but this also…

机器学习 · 计算机科学 2025-10-24 Teng Jiek See , Daokun Zhang , Mario Boley , David K. Chalmers

Graphs are pervasive in the real-world, such as social network analysis, bioinformatics, and knowledge graphs. Graph neural networks (GNNs) have great ability in node classification, a fundamental task on graphs. Unfortunately, conventional…

机器学习 · 计算机科学 2024-09-05 Quan Li , Tianxiang Zhao , Lingwei Chen , Junjie Xu , Suhang Wang

Recent advances in graph neural networks (GNNs) have enabled more comprehensive modeling of molecules and molecular systems, thereby enhancing the precision of molecular property prediction and molecular simulations. Nonetheless, as the…

机器学习 · 计算机科学 2023-10-31 Filip Ekström Kelvinius , Dimitar Georgiev , Artur Petrov Toshev , Johannes Gasteiger

Graph Neural Networks (GNNs) are widely adopted in advanced AI systems due to their capability of representation learning on graph data. Even though GNN explanation is crucial to increase user trust in the systems, it is challenging due to…

机器学习 · 计算机科学 2022-08-08 Tien-Cuong Bui , Wen-syan Li , Sang-Kyun Cha

Large Language Models (LLMs) have demonstrated remarkable generalization and instruction-following capabilities with instruction tuning. The advancements in LLMs and instruction tuning have led to the development of Large Vision-Language…

机器学习 · 计算机科学 2024-11-05 Jinyoung Park , Minseong Bae , Dohwan Ko , Hyunwoo J. Kim

In terms of accuracy, Graph Neural Networks (GNNs) are the best architectural choice for the node classification task. Their drawback in real-world deployment is the latency that emerges from the neighbourhood processing operation. One…

机器学习 · 计算机科学 2024-11-22 Pavel Rumiantsev , Mark Coates

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…

人工智能 · 计算机科学 2024-04-19 Stefan Dernbach , Khushbu Agarwal , Alejandro Zuniga , Michael Henry , Sutanay Choudhury
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