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Graphs are fundamental data structures which concisely capture the relational structure in many important real-world domains, such as knowledge graphs, physical and social interactions, language, and chemistry. Here we introduce a powerful…

Machine Learning · Computer Science 2018-03-12 Yujia Li , Oriol Vinyals , Chris Dyer , Razvan Pascanu , Peter Battaglia

A probabilistic expert system emulates the decision-making ability of a human expert through a directional graphical model. The first step in building such systems is to understand data generation mechanism. To this end, one may try to…

Methodology · Statistics 2021-09-29 Vahid Partovi Nia , Xinlin Li , Masoud Asgharian , Shoubo Hu , Zhitang Chen , Yanhui Geng

Multi-step retrieval-augmented generation (RAG) has become a widely adopted strategy for enhancing large language models (LLMs) on tasks that demand global comprehension and intensive reasoning. Although many RAG systems incorporate a…

Computation and Language · Computer Science 2026-05-28 Chulun Zhou , Chunkang Zhang , Guoxin Yu , Fandong Meng , Jie Zhou , Wai Lam , Mo Yu

The aim in many sciences is to understand the mechanisms that underlie the observed distribution of variables, starting from a set of initial hypotheses. Causal discovery allows us to infer mechanisms as sets of cause and effect…

Machine Learning · Computer Science 2025-03-05 Ashka Shah , Adela DePavia , Nathaniel Hudson , Ian Foster , Rick Stevens

Graph neural network, as a powerful graph representation technique based on deep learning, has shown superior performance and attracted considerable research interest. However, it has not been fully considered in graph neural network for…

Social and Information Networks · Computer Science 2021-01-21 Xiao Wang , Houye Ji , Chuan Shi , Bai Wang , Peng Cui , P. Yu , Yanfang Ye

Knowledge Graphs (KGs) are becoming increasingly essential infrastructures in many applications while suffering from incompleteness issues. The KG completion task (KGC) automatically predicts missing facts based on an incomplete KG.…

Machine Learning · Computer Science 2022-07-18 Weijian Chen , Yixin Cao , Fuli Feng , Xiangnan He , Yongdong Zhang

Graph contrastive learning is a general learning paradigm excelling at capturing invariant information from diverse perturbations in graphs. Recent works focus on exploring the structural rationale from graphs, thereby increasing the…

Machine Learning · Computer Science 2024-04-09 Qirui Ji , Jiangmeng Li , Jie Hu , Rui Wang , Changwen Zheng , Fanjiang Xu

Graph Convolutional Networks (GCNs) have recently become the primary choice for learning from graph-structured data, superseding hash fingerprints in representing chemical compounds. However, GCNs lack the ability to take into account the…

Machine Learning · Computer Science 2020-07-03 Tomasz Danel , Przemysław Spurek , Jacek Tabor , Marek Śmieja , Łukasz Struski , Agnieszka Słowik , Łukasz Maziarka

In heterogeneous graphs, we can observe complex structures such as tree-like or hierarchical structures. Recently, the hyperbolic space has been widely adopted in many studies to effectively learn these complex structures. Although these…

Machine Learning · Computer Science 2026-01-14 Jongmin Park , Seunghoon Han , Hyewon Lee , Won-Yong Shin , Sungsu Lim

In machine learning, exploring data correlations to predict outcomes is a fundamental task. Recognizing causal relationships embedded within data is pivotal for a comprehensive understanding of system dynamics, the significance of which is…

Machine Learning · Computer Science 2023-11-28 Simi Job , Xiaohui Tao , Taotao Cai , Haoran Xie , Lin Li , Jianming Yong , Qing Li

Graph data often contain noisy and spurious correlations that mask the true causal relationships, which are essential for enabling graph models to make predictions based on the underlying causal structure of the data. Dependence on spurious…

Machine Learning · Computer Science 2026-02-23 Simi Job , Xiaohui Tao , Taotao Cai , Haoran Xie , Jianming Yong

Modern deep learning models excel at pattern recognition but remain fundamentally limited by their reliance on spurious correlations, leading to poor generalization and a demand for massive datasets. We argue that a key ingredient for…

Machine Learning · Computer Science 2025-09-17 Mohamed Zayaan S

Heterogeneous graph representation learning (HGRL) is essential for modeling complex systems with diverse node and edge types. However, most existing methods are limited to closed-world settings with shared schemas and feature spaces,…

Machine Learning · Computer Science 2026-03-31 Xuanze Chen , Jiajun Zhou , Yadong Li , Shanqing Yu , Qi Xuan

Recently, table structure recognition has achieved impressive progress with the help of deep graph models. Most of them exploit single visual cues of tabular elements or simply combine visual cues with other modalities via early fusion to…

Computer Vision and Pattern Recognition · Computer Science 2022-03-11 Hao Liu , Xin Li , Bing Liu , Deqiang Jiang , Yinsong Liu , Bo Ren

Heterogeneous graph is a kind of data structure widely existing in real life. Nowadays, the research of graph neural network on heterogeneous graph has become more and more popular. The existing heterogeneous graph neural network algorithms…

Artificial Intelligence · Computer Science 2021-06-28 Xinliang Wu , Mengying Jiang , Guizhong Liu

We explore the usage of meta-learning to derive the causal direction between variables by optimizing over a measure of distribution simplicity. We incorporate a stochastic graph representation which includes latent variables and allows for…

Machine Learning · Computer Science 2021-06-11 Justin Wong , Dominik Damjakob

We consider feature representation learning problem of molecular graphs. Graph Neural Networks have been widely used in feature representation learning of molecular graphs. However, most existing methods deal with molecular graphs…

Machine Learning · Computer Science 2022-06-08 Zhaoning Yu , Hongyang Gao

Prior research has shown that human perception of similarity differs from mathematical measures in visual comparison tasks, including those involving directed acyclic graphs. This divergence can lead to missed differences and skepticism…

Human-Computer Interaction · Computer Science 2024-08-31 Kathrin Guckes , Alena Beyer , Margit Pohl , Tatiana von Landesberger

Recently, heterogeneous Graph Neural Networks (GNNs) have become a de facto model for analyzing HGs, while most of them rely on a relative large number of labeled data. In this work, we investigate Contrastive Learning (CL), a key component…

Machine Learning · Computer Science 2021-09-01 Yanqiao Zhu , Yichen Xu , Hejie Cui , Carl Yang , Qiang Liu , Shu Wu

Fascinating and puzzling phenomena, such as landmark vector cells, splitter cells, and event-specific representations to name a few, are regularly discovered in the hippocampus. Without a unifying principle that can explain these divergent…

Neurons and Cognition · Quantitative Biology 2022-12-06 Rajkumar Vasudeva Raju , J. Swaroop Guntupalli , Guangyao Zhou , Miguel Lázaro-Gredilla , Dileep George