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Graph neural networks (GNNs) have received much attention recently because of their excellent performance on graph-based tasks. However, existing research on GNNs focuses on designing more effective models without considering much about the…

Machine Learning · Computer Science 2021-04-20 Han Yang , Xiao Yan , Xinyan Dai , Yongqiang Chen , James Cheng

\Graph similarity computation is an essential task in many real-world graph-related applications such as retrieving the similar drugs given a query chemical compound or finding the user's potential friends from the social network database.…

Machine Learning · Computer Science 2024-12-18 Jingjing Wang , Hongjie Zhu , Haoran Xie , Fu Lee Wang , Xiaoliang Xu , Yuxiang Wang

Recently, Graph Neural Networks (GNNs) have greatly advanced the task of graph classification. Typically, we first build a unified GNN model with graphs in a given training set and then use this unified model to predict labels of all the…

Machine Learning · Computer Science 2021-12-15 Yiqi Wang , Yao Ma , Wei Jin , Chaozhuo Li , Charu Aggarwal , Jiliang Tang

The multicut problem is an NP-hard combinatorial optimization problem with diverse applications in fields such as bioinformatics, data mining and computer vision. Graph neural networks have been defined for the multicut problem but can be…

Machine Learning · Computer Science 2026-05-14 Jannik Irmai , Lucas Fabian Naumann , Bjoern Andres

Graph Neural Networks (GNNs) have established themselves as a key component in addressing diverse graph-based tasks. Despite their notable successes, GNNs remain susceptible to input perturbations in the form of adversarial attacks. This…

Machine Learning · Computer Science 2024-09-13 Moshe Eliasof , Davide Murari , Ferdia Sherry , Carola-Bibiane Schönlieb

Graph Neural Networks (GNNs) have received increasing attention due to their ability to learn from graph-structured data. To open the black-box of these deep learning models, post-hoc instance-level explanation methods have been proposed to…

Machine Learning · Computer Science 2024-02-08 Rundong Huang , Farhad Shirani , Dongsheng Luo

Interpretable Graph Neural Networks (GNNs) aim to reveal the underlying reasoning behind model predictions, attributing their decisions to specific subgraphs that are informative. However, existing subgraph-based interpretable methods…

Machine Learning · Computer Science 2025-05-02 Jie Yang , Yuwen Wang , Kaixuan Chen , Tongya Zheng , Yihe Zhou , Zhenbang Xiao , Ji Cao , Mingli Song , Shunyu Liu

Heterogeneous graph neural networks (HGNs) are prominent approaches to node classification tasks on heterogeneous graphs. Despite the superior performance, insights about the predictions made from HGNs are obscure to humans. Existing…

Machine Learning · Computer Science 2023-12-27 Tong Li , Jiale Deng , Yanyan Shen , Luyu Qiu , Yongxiang Huang , Caleb Chen Cao

Graph Neural Networks (GNNs) have received significant attention due to their state-of-the-art performance on various graph representation learning tasks. However, recent studies reveal that GNNs are vulnerable to adversarial attacks, i.e.…

Machine Learning · Computer Science 2024-10-28 Haoxi Zhan , Xiaobing Pei

Graph-based classification methods are widely used for security and privacy analytics. Roughly speaking, graph-based classification methods include collective classification and graph neural network. Evading a graph-based classification…

Cryptography and Security · Computer Science 2019-08-14 Binghui Wang , Neil Zhenqiang Gong

We explore what could make recognition of particular intersection-defined classes hard. We focus mainly on unit grid intersection graphs (UGIGs), i.e., intersection graphs of unit-length axis-aligned segments and grid intersection graphs…

Computational Geometry · Computer Science 2022-01-24 Irina Mustata , Martin Pergel

Graphs are complex objects that do not lend themselves easily to typical learning tasks. Recently, a range of approaches based on graph kernels or graph neural networks have been developed for graph classification and for representation…

Machine Learning · Computer Science 2022-05-19 Chen Cai , Yusu Wang

We provide rigorous proofs that the Integrated Gradients (IG) attribution method for deep networks satisfies completeness and symmetry-preserving properties. We also study the uniqueness of IG as a path method preserving symmetry.

Machine Learning · Computer Science 2021-03-26 Miguel Lerma , Mirtha Lucas

Deep learning methods are achieving ever-increasing performance on many artificial intelligence tasks. A major limitation of deep models is that they are not amenable to interpretability. This limitation can be circumvented by developing…

Machine Learning · Computer Science 2022-07-05 Hao Yuan , Haiyang Yu , Shurui Gui , Shuiwang Ji

Exploring the complex structure of the human brain is crucial for understanding its functionality and diagnosing brain disorders. Thanks to advancements in neuroimaging technology, a novel approach has emerged that involves modeling the…

Machine Learning · Computer Science 2024-06-06 Xuexiong Luo , Jia Wu , Jian Yang , Shan Xue , Amin Beheshti , Quan Z. Sheng , David McAlpine , Paul Sowman , Alexis Giral , Philip S. Yu

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

Topological metrics of graphs provide a natural way to describe the prominent features of various types of networks. Graph metrics describe the structure and interplay of graph edges and have found applications in many scientific fields. In…

Data Structures and Algorithms · Computer Science 2018-06-21 Loukianos Spyrou , Javier Escudero

Human brains lie at the core of complex neurobiological systems, where the neurons, circuits, and subsystems interact in enigmatic ways. Understanding the structural and functional mechanisms of the brain has long been an intriguing pursuit…

Neurons and Cognition · Quantitative Biology 2022-07-26 Hejie Cui , Wei Dai , Yanqiao Zhu , Xiaoxiao Li , Lifang He , Carl Yang

Deep learning has consistently defied state-of-the-art techniques in many fields over the last decade. However, we are just beginning to understand the capabilities of neural learning in symbolic domains. Deep learning architectures that…

Machine Learning · Computer Science 2020-03-10 Henrique Lemos , Marcelo Prates , Pedro Avelar , Luis Lamb

Interpretability has emerged as a crucial aspect of building trust in machine learning systems, aimed at providing insights into the working of complex neural networks that are otherwise opaque to a user. There are a plethora of existing…

Machine Learning · Statistics 2021-01-19 Rushil Anirudh , Jayaraman J. Thiagarajan , Rahul Sridhar , Peer-Timo Bremer