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While foundation models have revolutionized such fields as natural language processing and computer vision, their potential in graph machine learning remains largely unexplored. One of the key challenges in designing graph foundation models…

Machine Learning · Computer Science 2025-09-24 Dmitry Eremeev , Gleb Bazhenov , Oleg Platonov , Artem Babenko , Liudmila Prokhorenkova

Graph foundation models represent a transformative paradigm for learning transferable representations across diverse graph domains. Recent methods leverage large language models to unify graph and text modalities into a shared…

Machine Learning · Computer Science 2025-12-23 Heng Zhang , Tianyi Zhang , Yuling Shi , Xiaodong Gu , Yaomin Shen , Haochen You , Zijian Zhang , Yilei Yuan , Jin Huang

It has become a popular paradigm to transfer the knowledge of large-scale pre-trained models to various downstream tasks via fine-tuning the entire model parameters. However, with the growth of model scale and the rising number of…

Machine Learning · Computer Science 2023-05-18 Anchun Gui , Jinqiang Ye , Han Xiao

Foundation Models (FMs) serve as a general class for the development of artificial intelligence systems, offering broad potential for generalization across a spectrum of downstream tasks. Despite extensive research into self-supervised…

Machine Learning · Computer Science 2024-06-17 Yuhao Xu , Xinqi Liu , Keyu Duan , Yi Fang , Yu-Neng Chuang , Daochen Zha , Qiaoyu Tan

Graph Neural Networks (GNNs) have made significant advances on several fundamental inference tasks. As a result, there is a surge of interest in using these models for making potentially important decisions in high-regret applications.…

Machine Learning · Computer Science 2020-02-26 Kaidi Xu , Sijia Liu , Pin-Yu Chen , Mengshu Sun , Caiwen Ding , Bhavya Kailkhura , Xue Lin

Retrieval-augmented generation (RAG) has proven effective in integrating knowledge into large language models (LLMs). However, conventional RAGs struggle to capture complex relationships between pieces of knowledge, limiting their…

Information Retrieval · Computer Science 2025-12-12 Linhao Luo , Zicheng Zhao , Gholamreza Haffari , Dinh Phung , Chen Gong , Shirui Pan

How to obtain informative representations of molecules is a crucial prerequisite in AI-driven drug design and discovery. Recent researches abstract molecules as graphs and employ Graph Neural Networks (GNNs) for molecular representation…

Biomolecules · Quantitative Biology 2020-10-30 Yu Rong , Yatao Bian , Tingyang Xu , Weiyang Xie , Ying Wei , Wenbing Huang , Junzhou Huang

Pre-trained graph models (PGMs) aim to capture transferable inherent structural properties and apply them to different downstream tasks. Similar to pre-trained language models, PGMs also inherit biases from human society, resulting in…

Machine Learning · Computer Science 2024-02-21 Zhongjian Zhang , Mengmei Zhang , Yue Yu , Cheng Yang , Jiawei Liu , Chuan Shi

The challenge of effectively learning inter-series correlations for multivariate time series forecasting remains a substantial and unresolved problem. Traditional deep learning models, which are largely dependent on the Transformer paradigm…

Machine Learning · Computer Science 2024-05-29 Wanlin Cai , Kun Wang , Hao Wu , Xiaoxu Chen , Yuankai Wu

Graph foundation models (GFMs), pretrained on massive graph data, have transformed graph machine learning by supporting general-purpose reasoning across diverse graph tasks and domains. Existing GFMs pretrained with fixed-hop subgraph…

Machine Learning · Computer Science 2026-05-12 Haokun Liu , Zezhong Ding , Xike Xie

Graph neural networks (GNNs) have been predominantly driven by message-passing, where node representations are iteratively updated via local neighborhood aggregation. Despite their success, message-passing suffers from fundamental…

Machine Learning · Computer Science 2025-12-16 Zehong Wang , Zheyuan Zhang , Tianyi Ma , Chuxu Zhang , Yanfang Ye

Graph retrieval-augmented generation (GRAG) places high demands on graph-specific retrievers. However, existing retrievers often rely on language models pretrained on plain text, limiting their effectiveness due to domain misalignment and…

Information Retrieval · Computer Science 2025-06-04 Xiaochen Wang , Zongyu Wu , Yuan Zhong , Xiang Zhang , Suhang Wang , Fenglong Ma

The foundation model has heralded a new era in artificial intelligence, pretraining a single model to offer cross-domain transferability on different datasets. Graph neural networks excel at learning graph data, the omnipresent…

Machine Learning · Computer Science 2025-04-09 Li Sun , Zhenhao Huang , Suyang Zhou , Qiqi Wan , Hao Peng , Philip Yu

A foundation model like GPT elicits many emergent abilities, owing to the pre-training with broad inclusion of data and the use of the powerful Transformer architecture. While foundation models in natural languages are prevalent, can we…

Machine Learning · Computer Science 2025-06-18 Ziyuan Tang , Jie Chen

Graphs are ubiquitous real-world data structures, and generative models that approximate distributions over graphs and derive new samples from them have significant importance. Among the known challenges in graph generation tasks,…

Machine Learning · Computer Science 2019-10-04 Wataru Kawai , Yusuke Mukuta , Tatsuya Harada

Recent advances in CV and NLP have inspired researchers to develop general-purpose graph foundation models through pre-training across diverse domains. However, a fundamental challenge arises from the substantial differences in graph…

Social and Information Networks · Computer Science 2025-06-02 Shuo Wang , Bokui Wang , Zhixiang Shen , Boyan Deng , Zhao Kang

Graph classification is a pivotal challenge in machine learning, especially within the realm of graph-based data, given its importance in numerous real-world applications such as social network analysis, recommendation systems, and…

Machine Learning · Computer Science 2024-07-03 Bowen Zhang , Zhichao Huang , Genan Dai , Guangning Xu , Xiaomao Fan , Hu Huang

A graph is a very common and powerful data structure used for modeling communication and social networks. Models that generate graphs with arbitrary features are important basic technologies in repeated simulations of networks and…

Machine Learning · Computer Science 2023-09-06 Takahiro Yokoyama , Yoshiki Sato , Sho Tsugawa , Kohei Watabe

Subgraph GNNs enhance message-passing GNNs expressivity by representing graphs as sets of subgraphs, demonstrating impressive performance across various tasks. However, their scalability is hindered by the need to process large numbers of…

Machine Learning · Computer Science 2025-06-02 Guy Bar-Shalom , Yam Eitan , Fabrizio Frasca , Haggai Maron

Graph foundation models (GFMs) have recently attracted interest due to the promise of graph neural network (GNN) architectures that generalize zero-shot across graphs of arbitrary scales, feature dimensions, and domains. While existing work…

Machine Learning · Computer Science 2026-03-25 Benjamin Gutteridge , Michael Bronstein , Xiaowen Dong