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Modeling and generating graphs is fundamental for studying networks in biology, engineering, and social sciences. However, modeling complex distributions over graphs and then efficiently sampling from these distributions is challenging due…

Machine Learning · Computer Science 2018-06-26 Jiaxuan You , Rex Ying , Xiang Ren , William L. Hamilton , Jure Leskovec

Many real world systems need to operate on heterogeneous information networks that consist of numerous interacting components of different types. Examples include systems that perform data analysis on biological information networks; social…

Artificial Intelligence · Computer Science 2017-07-26 Parisa Kordjamshidi , Sameer Singh , Daniel Khashabi , Christos Christodoulopoulos , Mark Summons , Saurabh Sinha , Dan Roth

Identifying frequent subgraphs, also called network motifs, is crucial in analyzing and predicting properties of real-world networks. However, finding large commonly-occurring motifs remains a challenging problem not only due to its NP-hard…

Machine Learning · Computer Science 2024-02-23 Rex Ying , Tianyu Fu , Andrew Wang , Jiaxuan You , Yu Wang , Jure Leskovec

This article introduces PAGE, a parameterized generative interpretive framework. PAGE is capable of providing faithful explanations for any graph neural network without necessitating prior knowledge or internal details. Specifically, we…

Machine Learning · Computer Science 2024-09-09 Yang Qiu , Wei Liu , Jun Wang , Ruixuan Li

Due to the rapid development of science and technology, the importance of imprecise, noisy, and uncertain data is increasing at an exponential rate. Thus, mining patterns in uncertain databases have drawn the attention of researchers.…

Frequent and structurally related subgraphs, also known as network motifs, are valuable features of many graph datasets. However, the high computational complexity of identifying motif sets in arbitrary datasets (motif mining) has limited…

Machine Learning · Computer Science 2022-06-08 Carlos Oliver , Dexiong Chen , Vincent Mallet , Pericles Philippopoulos , Karsten Borgwardt

The graph classification problem has been widely studied; however, achieving an interpretable model with high predictive performance remains a challenging issue. This paper proposes an interpretable classification algorithm for attributed…

Machine Learning · Computer Science 2024-02-13 Tajima Shinji , Ren Sugihara , Ryota Kitahara , Masayuki Karasuyama

Stepwise inference protocols, such as scratchpads and chain-of-thought, help language models solve complex problems by decomposing them into a sequence of simpler subproblems. Despite the significant gain in performance achieved via these…

Machine Learning · Computer Science 2024-02-13 Mikail Khona , Maya Okawa , Jan Hula , Rahul Ramesh , Kento Nishi , Robert Dick , Ekdeep Singh Lubana , Hidenori Tanaka

Computer system monitoring generates huge amounts of logs that record the interaction of system entities. How to query such data to better understand system behaviors and identify potential system risks and malicious behaviors becomes a…

Social and Information Networks · Computer Science 2015-11-20 Bo Zong , Xusheng Xiao , Zhichun Li , Zhenyu Wu , Zhiyun Qian , Xifeng Yan , Ambuj K. Singh , Guofei Jiang

\emph{Uncertain Graph} (also known as \emph{Probabilistic Graph}) is a generic model to represent many real\mbox{-}world networks from social to biological. In recent times analysis and mining of uncertain graphs have drawn significant…

Databases · Computer Science 2021-06-16 Suman Banerjee

Conventional Retrieval Augmented Generation (RAG) approaches are common in text-based applications. However, they struggle with structured, interconnected datasets like knowledge graphs, where understanding underlying relationships is…

Information Retrieval · Computer Science 2025-07-15 Savini Kashmira , Jayanaka L. Dantanarayana , Krisztián Flautner , Lingjia Tang , Jason Mars

Graph representation learning for hypergraphs can be used to extract patterns among higher-order interactions that are critically important in many real world problems. Current approaches designed for hypergraphs, however, are unable to…

Machine Learning · Computer Science 2019-11-11 Ruochi Zhang , Yuesong Zou , Jian Ma

We consider structure discovery of undirected graphical models from observational data. Inferring likely structures from few examples is a complex task often requiring the formulation of priors and sophisticated inference procedures.…

Machine Learning · Statistics 2017-08-04 Eugene Belilovsky , Kyle Kastner , Gaël Varoquaux , Matthew Blaschko

Classical path search assumes complete graphs and scalar optimization metrics, yet real infrastructure networks are incomplete and require multi-dimensional evaluation. We introduce the concept of traversal: a generalization of paths that…

Networking and Internet Architecture · Computer Science 2026-02-24 Nicolas Tacheny

Graph Neural Networks (GNNs) have shown remarkable success in molecular tasks, yet their interpretability remains challenging. Traditional model-level explanation methods like XGNN and GNNInterpreter often fail to identify valid…

Machine Learning · Computer Science 2025-04-25 Zhaoning Yu , Hongyang Gao

Graph pattern mining (GPM) is used in diverse application areas including social network analysis, bioinformatics, and chemical engineering. Existing GPM frameworks either provide high-level interfaces for productivity at the cost of…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-11-09 Xuhao Chen , Roshan Dathathri , Gurbinder Gill , Loc Hoang , Keshav Pingali

Despite that going deep has proven successful in many neural architectures, the existing graph transformers are relatively shallow. In this work, we explore whether more layers are beneficial to graph transformers, and find that current…

Machine Learning · Computer Science 2023-03-02 Haiteng Zhao , Shuming Ma , Dongdong Zhang , Zhi-Hong Deng , Furu Wei

Retrosynthetic planning, which aims to find a reaction pathway to synthesize a target molecule, plays an important role in chemistry and drug discovery. This task is usually modeled as a search problem. Recently, data-driven methods have…

Artificial Intelligence · Computer Science 2022-06-24 Shufang Xie , Rui Yan , Peng Han , Yingce Xia , Lijun Wu , Chenjuan Guo , Bin Yang , Tao Qin

Code search aims to retrieve accurate code snippets based on a natural language query to improve software productivity and quality. With the massive amount of available programs such as (on GitHub or Stack Overflow), identifying and…

Software Engineering · Computer Science 2023-02-14 Shangqing Liu , Xiaofei Xie , Jingkai Siow , Lei Ma , Guozhu Meng , Yang Liu

Graph traversals are a basic but fundamental ingredient for a variety of graph algorithms and graph-oriented queries. To achieve the best possible query performance, they need to be implemented at the core of a database management system…

Databases · Computer Science 2014-12-22 Marcus Paradies , Wolfgang Lehner , Christof Bornhoevd