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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

Pre-training of neural networks has recently revolutionized the field of Natural Language Processing (NLP) and has before demonstrated its effectiveness in computer vision. At the same time, advances around the detection of fake news were…

Computation and Language · Computer Science 2024-02-29 Gregor Donabauer , Udo Kruschwitz

Foundational models (FMs), pretrained on extensive datasets using self-supervised techniques, are capable of learning generalized patterns from large amounts of data. This reduces the need for extensive labeled datasets for each new task,…

Machine Learning · Computer Science 2024-06-19 Quan M. Tran , Suong N. Hoang , Lam M. Nguyen , Dzung Phan , Hoang Thanh Lam

Graph-structured data are pervasive in the real-world such as social networks, molecular graphs and transaction networks. Graph neural networks (GNNs) have achieved great success in representation learning on graphs, facilitating various…

Machine Learning · Computer Science 2025-02-27 Zhimeng Guo , Teng Xiao , Zongyu Wu , Charu Aggarwal , Hui Liu , Suhang Wang

Recently, graph-based models designed for downstream tasks have significantly advanced research on graph neural networks (GNNs). GNN baselines based on neural message-passing mechanisms such as GCN and GAT perform worse as the network…

Machine Learning · Computer Science 2023-01-26 Jiayuan Chen , Xiang Zhang , Yinfei Xu , Tianli Zhao , Renjie Xie , Wei Xu

In recent years, pre-trained graph neural networks (GNNs) have been developed as general models which can be effectively fine-tuned for various potential downstream tasks in materials science, and have shown significant improvements in…

Materials Science · Physics 2025-03-04 Shuyi Jia , Shitij Govil , Manav Ramprasad , Victor Fung

While interpretability is crucial for machine learning applications in safety-critical domains and for regulatory compliance, existing tabular foundation models like TabPFN lack transparency. Generalized Additive Models (GAMs) provide the…

Machine Learning · Computer Science 2026-02-06 Andreas Mueller , Julien Siems , Harsha Nori , David Salinas , Arber Zela , Rich Caruana , Frank Hutter

Graph neural networks (GNNs) are gaining increasing popularity as a promising approach to machine learning on graphs. Unlike traditional graph workloads where each vertex/edge is associated with a scalar, GNNs attach a feature tensor to…

Machine Learning · Computer Science 2020-09-30 Yuwei Hu , Zihao Ye , Minjie Wang , Jiali Yu , Da Zheng , Mu Li , Zheng Zhang , Zhiru Zhang , Yida Wang

Graph neural networks (GNNs) are widely applied in graph data modeling. However, existing GNNs are often trained in a task-driven manner that fails to fully capture the intrinsic nature of the graph structure, resulting in sub-optimal node…

Machine Learning · Computer Science 2024-07-17 Zhenhua Huang , Kunhao Li , Shaojie Wang , Zhaohong Jia , Wentao Zhu , Sharad Mehrotra

The problem of labeled graph generation is gaining attention in the Deep Learning community. The task is challenging due to the sparse and discrete nature of graph spaces. Several approaches have been proposed in the literature, most of…

Machine Learning · Computer Science 2021-07-20 Marco Podda , Davide Bacciu

Graph neural networks (GNNs) have been demonstrated to achieve state-of-the-art for a number of graph-based learning tasks, which leads to a rise in their employment in various domains. However, it has been shown that GNNs may inherit and…

Machine Learning · Computer Science 2022-05-23 O. Deniz Kose , Yanning Shen

Recently, Graph Neural Networks (GNNs) have greatly advanced the task of graph classification. Typically, we first build a unified GNN model with graphs in a given training set and then use this unified model to predict labels of all the…

Machine Learning · Computer Science 2021-12-15 Yiqi Wang , Yao Ma , Wei Jin , Chaozhuo Li , Charu Aggarwal , Jiliang Tang

Graph neural networks (GNNs) are typically applied to static graphs that are assumed to be known upfront. This static input structure is often informed purely by insight of the machine learning practitioner, and might not be optimal for the…

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

Graph structure learning is a well-established problem that aims at optimizing graph structures adaptive to specific graph datasets to help message passing neural networks (i.e., GNNs) to yield effective and robust node embeddings. However,…

Machine Learning · Computer Science 2023-06-21 Wentao Zhao , Qitian Wu , Chenxiao Yang , Junchi Yan

Graph Neural Nets (GNNs) have received increasing attentions, partially due to their superior performance in many node and graph classification tasks. However, there is a lack of understanding on what they are learning and how sophisticated…

Machine Learning · Computer Science 2020-06-11 Ting Chen , Song Bian , Yizhou Sun

Ensuring fairness in Recommendation Systems (RSs) across demographic groups is critical due to the increased integration of RSs in applications such as personalized healthcare, finance, and e-commerce. Graph-based RSs play a crucial role in…

Information Retrieval · Computer Science 2023-12-21 Nimesh Agrawal , Anuj Kumar Sirohi , Jayadeva , Sandeep Kumar

Graph Transformers (GTs) have demonstrated a strong capability in modeling graph structures by addressing the intrinsic limitations of graph neural networks (GNNs), such as over-smoothing and over-squashing. Recent studies have proposed…

Machine Learning · Computer Science 2025-02-28 Chaohao Yuan , Kangfei Zhao , Ercan Engin Kuruoglu , Liang Wang , Tingyang Xu , Wenbing Huang , Deli Zhao , Hong Cheng , Yu Rong

Graph neural networks (GNNs) have brought revolutionary advancements to the field of link prediction (LP), providing powerful tools for mining potential relationships in graphs. However, existing methods face challenges when dealing with…

Machine Learning · Computer Science 2025-12-30 Huashen Lu , Wensheng Gan , Guoting Chen , Zhichao Huang , Philip S. Yu

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