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We present an end-to-end, interpretable, deep-learning architecture to learn a graph kernel that predicts the outcome of chronic disease drug prescription. This is achieved through a deep metric learning collaborative with a Support Vector…

Machine Learning · Computer Science 2020-08-06 Hao-Ren Yao , Der-Chen Chang , Ophir Frieder , Wendy Huang , I-Chia Liang , Chi-Feng Hung

Graph classification is a significant problem in many scientific domains. It addresses tasks such as the classification of proteins and chemical compounds into categories according to their functions, or chemical and structural properties.…

Machine Learning · Computer Science 2019-02-25 Marcelo Daniel Gutierrez Mallea , Peter Meltzer , Peter J Bentley

Understanding how the brain encodes stimuli has been a fundamental problem in computational neuroscience. Insights into this problem have led to the design and development of artificial neural networks that learn representations by…

Neurons and Cognition · Quantitative Biology 2025-12-04 Shubham Choudhary , Paul Masset , Demba Ba

This work considers the task of representation learning on the attributed relational graph (ARG). Both the nodes and edges in an ARG are associated with attributes/features allowing ARGs to encode rich structural information widely observed…

Machine Learning · Computer Science 2022-08-10 Yifei Wang , Shiyang Chen , Guobin Chen , Ethan Shurberg , Hang Liu , Pengyu Hong

We propose a kernel regression method to predict a target signal lying over a graph when an input observation is given. The input and the output could be two different physical quantities. In particular, the input may not be a graph signal…

Information Theory · Computer Science 2019-08-02 Arun Venkitaraman , Saikat Chatterjee , Peter Händel

A main challenge in mining network-based data is finding effective ways to represent or encode graph structures so that it can be efficiently exploited by machine learning algorithms. Several methods have focused in network representation…

Social and Information Networks · Computer Science 2019-03-18 Leonardo Gutiérrez-Gómez , Jean-Charles Delvenne

Graph-level representations are crucial tools for characterising structural differences between graphs. However, comparing graphs with different cardinalities, even when sampled from the same underlying distribution, remains challenging.…

Machine Learning · Computer Science 2026-05-08 Katharina Limbeck , Nadja Häusermann , Martin Carrasco , Guy Wolf , Bastian Rieck

Graphs serve as fundamental descriptors for systems composed of interacting elements, capturing a wide array of data types, from molecular interactions to social networks and knowledge graphs. In this paper, we present an exhaustive review…

Machine Learning · Computer Science 2024-11-13 Chenqing Hua

In this paper, we propose an end-to-end graph learning framework, namely Deep Iterative and Adaptive Learning for Graph Neural Networks (DIAL-GNN), for jointly learning the graph structure and graph embeddings simultaneously. We first cast…

Machine Learning · Computer Science 2019-12-18 Yu Chen , Lingfei Wu , Mohammed J. Zaki

There has been a surge of recent interest in learning representations for graph-structured data. Graph representation learning methods have generally fallen into three main categories, based on the availability of labeled data. The first,…

Machine Learning · Computer Science 2022-04-13 Ines Chami , Sami Abu-El-Haija , Bryan Perozzi , Christopher Ré , Kevin Murphy

In this paper, we presented a novel convolutional neural network framework for graph modeling, with the introduction of two new modules specially designed for graph-structured data: the $k$-th order convolution operator and the adaptive…

Machine Learning · Computer Science 2017-10-23 Zhenpeng Zhou , Xiaocheng Li

Real-world graphs naturally exhibit hierarchical or cyclical structures that are unfit for the typical Euclidean space. While there exist graph neural networks that leverage hyperbolic or spherical spaces to learn representations that embed…

Machine Learning · Computer Science 2023-09-11 Sungjun Cho , Seunghyuk Cho , Sungwoo Park , Hankook Lee , Honglak Lee , Moontae Lee

Causal structure learning has been a challenging task in the past decades and several mainstream approaches such as constraint- and score-based methods have been studied with theoretical guarantees. Recently, a new approach has transformed…

Machine Learning · Computer Science 2019-11-19 Ignavier Ng , Shengyu Zhu , Zhitang Chen , Zhuangyan Fang

At present, there are a large number of quantum neural network models to deal with Euclidean spatial data, while little research have been conducted on non-Euclidean spatial data. In this paper, we propose a novel quantum graph…

Signal Processing · Electrical Eng. & Systems 2021-07-08 Jin Zheng , Qing Gao , Yanxuan Lv

Graph Neural Networks (GNNs) have already been widely used in various graph mining tasks. However, recent works reveal that the learned weights (channels) in well-trained GNNs are highly redundant, which inevitably limits the performance of…

Machine Learning · Computer Science 2023-10-05 Liang Zeng , Jin Xu , Zijun Yao , Yanqiao Zhu , Jian Li

Knowledge graph embedding is an important task and it will benefit lots of downstream applications. Currently, deep neural networks based methods achieve state-of-the-art performance. However, most of these existing methods are very complex…

Artificial Intelligence · Computer Science 2020-11-02 Feiliang Ren , Juchen Li , Huihui Zhang , Shilei Liu , Bochao Li , Ruicheng Ming , Yujia Bai

We present Bi-Level Attention-Based Relational Graph Convolutional Networks (BR-GCN), unique neural network architectures that utilize masked self-attentional layers with relational graph convolutions, to effectively operate on highly…

Machine Learning · Computer Science 2024-04-16 Roshni G. Iyer , Wei Wang , Yizhou Sun

Network representation learning seeks to embed networks into a low-dimensional space while preserving the structural and semantic properties, thereby facilitating downstream tasks such as classification, trait prediction, edge…

Machine Learning · Statistics 2025-09-16 Zihan Dong , Xin Zhou , Ryumei Nakada , Lexin Li , Linjun Zhang

Temporal knowledge graph reasoning (TKGR) is increasingly gaining attention for its ability to extrapolate new events from historical data, thereby enriching the inherently incomplete temporal knowledge graphs. Existing graph-based…

Machine Learning · Computer Science 2025-01-27 Jinze Sun , Yongpan Sheng , Lirong He , Yongbin Qin , Ming Liu , Tao Jia

Explainable artificial intelligence (XAI) is an important area in the AI community, and interpretability is crucial for building robust and trustworthy AI models. While previous work has explored model-level and instance-level explainable…

Machine Learning · Computer Science 2025-12-05 Xudong Wang , Ziheng Sun , Chris Ding , Jicong Fan