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Graph Neural Networks (GNNs) have shown great promise in learning node embeddings for link prediction (LP). While numerous studies aim to improve the overall LP performance of GNNs, none have explored its varying performance across…

Machine Learning · Computer Science 2023-10-10 Yu Wang , Tong Zhao , Yuying Zhao , Yunchao Liu , Xueqi Cheng , Neil Shah , Tyler Derr

Graph neural networks have become the standard approach for dealing with learning problems on graphs. Among the different variants of graph neural networks, graph attention networks (GATs) have been applied with great success to different…

Machine Learning · Computer Science 2023-07-18 Michail Chatzianastasis , Giannis Nikolentzos , Michalis Vazirgiannis

While graph neural networks (GNNs) are widely used for node and graph representation learning tasks, the reliability of GNN uncertainty estimates under distribution shifts remains relatively under-explored. Indeed, while post-hoc…

Machine Learning · Computer Science 2024-12-16 Puja Trivedi , Mark Heimann , Rushil Anirudh , Danai Koutra , Jayaraman J. Thiagarajan

Graph neural networks (GNN) have recently emerged as a vehicle for applying deep network architectures to graph and relational data. However, given the increasing size of industrial datasets, in many practical situations the message passing…

Machine Learning · Computer Science 2021-11-16 Qingru Zhang , David Wipf , Quan Gan , Le Song

Little is known about the trustworthiness of predictions made by knowledge graph embedding (KGE) models. In this paper we take initial steps toward this direction by investigating the calibration of KGE models, or the extent to which they…

Artificial Intelligence · Computer Science 2020-10-07 Tara Safavi , Danai Koutra , Edgar Meij

While the expressive power and computational capabilities of graph neural networks (GNNs) have been theoretically studied, their optimization and learning dynamics, in general, remain largely unexplored. Our study undertakes the Graph…

Machine Learning · Computer Science 2023-10-26 Nimrah Mustafa , Aleksandar Bojchevski , Rebekka Burkholz

Spatial-temporal network traffic forecasting is a challenging task due to the complex spatial relationships and dynamic temporal patterns present in each node. Traditional regression methods are not directly applicable to such graph data.…

Information Retrieval · Computer Science 2026-05-12 Jinming Xing , Guoheng Sun , Hui Sun , Linchao Pan , Shakir Mahmood , Xuanhao Luo , Muhammad Shahzad

Graph Neural Networks (GNNs) bring the power of deep representation learning to graph and relational data and achieve state-of-the-art performance in many applications. GNNs compute node representations by taking into account the topology…

Machine Learning · Computer Science 2021-09-10 Maria Kalantzi , George Karypis

We propose a new graph neural network (GNN) module, based on relaxations of recently proposed geometric scattering transforms, which consist of a cascade of graph wavelet filters. Our learnable geometric scattering (LEGS) module enables…

Most calibration methods operate at the logit level, implicitly assuming that miscalibration can be corrected without changing the underlying representation. We challenge this assumption and propose \textbf{Calibration Attention (CalAttn)},…

Computer Vision and Pattern Recognition · Computer Science 2026-01-21 Wenhao Liang , Wei Emma Zhang , Lin Yue , Miao Xu , Mingyu Guo , Olaf Maennel , Weitong Chen

In graph neural networks (GNNs), message passing iteratively aggregates nodes' information from their direct neighbors while neglecting the sequential nature of multi-hop node connections. Such sequential node connections e.g., metapaths,…

In recent years, powered by the learned discriminative representation via graph neural network (GNN) models, deep graph matching methods have made great progresses in the task of matching semantic features. However, these methods usually…

Computer Vision and Pattern Recognition · Computer Science 2021-11-18 He Liu , Tao Wang , Yidong Li , Congyan Lang , Yi Jin , Haibin Ling

The recent advancements in graph neural networks (GNNs) have led to state-of-the-art performances in various applications, including chemo-informatics, question-answering systems, and recommender systems. However, scaling up these methods…

Machine Learning · Computer Science 2022-03-30 Ryoma Sato , Makoto Yamada , Hisashi Kashima

Graph neural networks (GNNs) have exhibited impressive performance in modeling graph data as exemplified in various applications. Recently, the GNN calibration problem has attracted increasing attention, especially in cost-sensitive…

Machine Learning · Computer Science 2023-12-20 Boshi Tang , Zhiyong Wu , Xixin Wu , Qiaochu Huang , Jun Chen , Shun Lei , Helen Meng

Graph structural information such as topologies or connectivities provides valuable guidance for graph convolutional networks (GCNs) to learn nodes' representations. Existing GCN models that capture nodes' structural information weight in-…

Machine Learning · Computer Science 2021-07-22 Yunxiang Zhao , Jianzhong Qi , Qingwei Liu , Rui Zhang

DARTS is a popular algorithm for neural architecture search (NAS). Despite its great advantage in search efficiency, DARTS often suffers weak stability, which reflects in the large variation among individual trials as well as the…

Machine Learning · Computer Science 2020-05-05 Kaifeng Bi , Changping Hu , Lingxi Xie , Xin Chen , Longhui Wei , Qi Tian

Graph neural networks have demonstrated excellent applicability to a wide range of domains, including social networks, biological systems, recommendation systems, and wireless communications. Yet a principled theoretical understanding of…

Machine Learning · Computer Science 2026-04-14 Xinping Yi

The attention mechanism has demonstrated superior performance for inference over nodes in graph neural networks (GNNs), however, they result in a high computational burden during both training and inference. We propose FastGAT, a method to…

Machine Learning · Computer Science 2020-10-06 Rakshith S Srinivasa , Cao Xiao , Lucas Glass , Justin Romberg , Jimeng Sun

Managing microservice architectures in distributed systems is complex and resource intensive due to the high frequency and dynamic nature of inter service interactions. Accurate prediction of these future interactions can enhance adaptive…

Machine Learning · Computer Science 2025-01-28 Ghazal Khodabandeh , Alireza Ezaz , Majid Babaei , Naser Ezzati-Jivan

Lithium-ion batteries are powering the ongoing transportation electrification revolution. Lithium-ion batteries possess higher energy density and favourable electrochemical properties which make it a preferable energy source for electric…

Machine Learning · Computer Science 2022-08-22 Edward Elson Kosasih , Rucha Bhalchandra Joshi , Janamejaya Channegowda