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We challenge a common assumption underlying most supervised deep learning: that a model makes a prediction depending only on its parameters and the features of a single input. To this end, we introduce a general-purpose deep learning…

机器学习 · 计算机科学 2022-02-02 Jannik Kossen , Neil Band , Clare Lyle , Aidan N. Gomez , Tom Rainforth , Yarin Gal

Graphs have a superior ability to represent relational data, like chemical compounds, proteins, and social networks. Hence, graph-level learning, which takes a set of graphs as input, has been applied to many tasks including comparison,…

Graph Neural Networks (GNNs) have emerged as a dominant approach in graph representation learning, yet they often struggle to capture consistent similarity relationships among graphs. While graph kernel methods such as the Weisfeiler-Lehman…

机器学习 · 计算机科学 2024-12-12 Xuyuan Liu , Yinghao Cai , Qihui Yang , Yujun Yan

Graph neural networks (GNNs) have received massive attention in the field of machine learning on graphs. Inspired by the success of neural networks, a line of research has been conducted to train GNNs to deal with various tasks, such as…

机器学习 · 计算机科学 2022-04-11 Manh Tuan Do , Noseong Park , Kijung Shin

Information extraction from semi-structured webpages provides valuable long-tailed facts for augmenting knowledge graph. Relational Web tables are a critical component containing additional entities and attributes of rich and diverse…

信息检索 · 计算机科学 2021-02-19 Daheng Wang , Prashant Shiralkar , Colin Lockard , Binxuan Huang , Xin Luna Dong , Meng Jiang

Missing values of varying patterns and rates in real-world tabular data pose a significant challenge in developing reliable data-driven models. The most commonly used statistical and machine learning methods for missing value imputation may…

机器学习 · 计算机科学 2025-03-26 Ibna Kowsar , Shourav B. Rabbani , Yina Hou , Manar D. Samad

Analyzing the relation between intelligence and neural activity is of the utmost importance in understanding the working principles of the human brain in health and disease. In existing literature, functional brain connectomes have been…

机器学习 · 计算机科学 2022-05-27 Martin Hanik , Mehmet Arif Demirtaş , Mohammed Amine Gharsallaoui , Islem Rekik

Graph Neural Networks (GNNs) have been highly successful for the node classification task. GNNs typically assume graphs are homophilic, i.e. neighboring nodes are likely to belong to the same class. However, a number of real-world graphs…

机器学习 · 计算机科学 2024-09-20 Yurui Lai , Taiyan Zhang , Rui Fan

Interpretable graph learning is in need as many scientific applications depend on learning models to collect insights from graph-structured data. Previous works mostly focused on using post-hoc approaches to interpret pre-trained models…

机器学习 · 计算机科学 2022-06-20 Siqi Miao , Miaoyuan Liu , Pan Li

How can we subsample graph data so that a graph neural network (GNN) trained on the subsample achieves performance comparable to training on the full dataset? This question is of fundamental interest, as smaller datasets reduce labeling…

机器学习 · 计算机科学 2025-02-25 Mika Sarkin Jain , Stefanie Jegelka , Ishani Karmarkar , Luana Ruiz , Ellen Vitercik

This paper studies semi-supervised object classification in relational data, which is a fundamental problem in relational data modeling. The problem has been extensively studied in the literature of both statistical relational learning…

机器学习 · 计算机科学 2020-07-27 Meng Qu , Yoshua Bengio , Jian Tang

We propose a novel technique to enhance Knowledge Graph Reasoning by combining Graph Convolution Neural Network (GCN) with the Attention Mechanism. This approach utilizes the Attention Mechanism to examine the relationships between entities…

信息检索 · 计算机科学 2025-03-24 Meera Gupta , Ravi Khanna , Divya Choudhary , Nandini Rao

We address a largely open problem of multilabel classification over graphs. Unlike traditional vector input, a graph has rich variable-size substructures which are related to the labels in some ways. We believe that uncovering these…

机器学习 · 计算机科学 2018-04-12 Kien Do , Truyen Tran , Thin Nguyen , Svetha Venkatesh

The widespread enthusiasm for deep learning has recently expanded into the domain of tabular data. Recognizing that the advancement in deep tabular methods is often inspired by classical methods, e.g., integration of nearest neighbors into…

机器学习 · 计算机科学 2025-03-04 Han-Jia Ye , Huai-Hong Yin , De-Chuan Zhan , Wei-Lun Chao

Graph neural networks (GNNs) aim to learn well-trained representations in a lower-dimension space for downstream tasks while preserving the topological structures. In recent years, attention mechanism, which is brilliant in the fields of…

社会与信息网络 · 计算机科学 2026-05-12 Chengcheng Sun , Chenhao Li , Xiang Lin , Tianji Zheng , Fanrong Meng , Xiaobin Rui , Zhixiao Wang

We introduce Attention Graphs, a new tool for mechanistic interpretability of Graph Neural Networks (GNNs) and Graph Transformers based on the mathematical equivalence between message passing in GNNs and the self-attention mechanism in…

机器学习 · 计算机科学 2025-02-26 Batu El , Deepro Choudhury , Pietro Liò , Chaitanya K. Joshi

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…

Teaching Graph Neural Networks (GNNs) to accurately classify nodes under severely noisy labels is an important problem in real-world graph learning applications, but is currently underexplored. Although pairwise training methods have…

机器学习 · 计算机科学 2023-06-06 Xuefeng Du , Tian Bian , Yu Rong , Bo Han , Tongliang Liu , Tingyang Xu , Wenbing Huang , Yixuan Li , Junzhou Huang

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…

机器学习 · 计算机科学 2023-01-26 Jiayuan Chen , Xiang Zhang , Yinfei Xu , Tianli Zhao , Renjie Xie , Wei Xu

A variety of graph neural networks (GNNs) frameworks for representation learning on graphs have been recently developed. These frameworks rely on aggregation and iteration scheme to learn the representation of nodes. However, information…

机器学习 · 计算机科学 2020-03-25 Xinhan Di , Pengqian Yu , Rui Bu , Mingchao Sun