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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

Graph Neural Networks (GNNs) are powerful machine learning prediction models on graph-structured data. However, GNNs lack rigorous uncertainty estimates, limiting their reliable deployment in settings where the cost of errors is…

Machine Learning · Computer Science 2023-11-01 Kexin Huang , Ying Jin , Emmanuel Candès , Jure Leskovec

Pretrained Language Models (PLMs) such as BERT have revolutionized the landscape of Natural Language Processing (NLP). Inspired by their proliferation, tremendous efforts have been devoted to Pretrained Graph Models (PGMs). Owing to the…

Machine Learning · Computer Science 2022-03-22 Jun Xia , Yanqiao Zhu , Yuanqi Du , Stan Z. Li

Graph Neural Networks (GNNs) achieve outstanding performance across graph-based tasks but remain difficult to interpret. In this paper, we revisit foundational assumptions underlying model-level explanation methods for GNNs, namely: (1)…

Machine Learning · Computer Science 2025-06-10 Hsiao-Ying Lu , Yiran Li , Ujwal Pratap Krishna Kaluvakolanu Thyagarajan , Kwan-Liu Ma

Graph Neural Networks (GNNs) are widely used for node classification, yet their opaque decision-making limits trust and adoption. While local explanations offer insights into individual predictions, global explanation methods, those that…

Machine Learning · Computer Science 2025-10-30 Burouj Armgaan , Eshan Jain , Harsh Pandey , Mahesh Chandran , Sayan Ranu

Data-driven surrogate modeling has surged in capability in recent years with the emergence of graph neural networks (GNNs), which can operate directly on mesh-based representations of data. The goal of this work is to introduce an…

Machine Learning · Computer Science 2024-10-25 Shivam Barwey , Hojin Kim , Romit Maulik

Graph neural networks (GNNs) find applications in various domains such as computational biology, natural language processing, and computer security. Owing to their popularity, there is an increasing need to explain GNN predictions since…

Machine Learning · Computer Science 2022-11-14 Mert Kosan , Zexi Huang , Sourav Medya , Sayan Ranu , Ambuj Singh

As Graph Neural Networks (GNNs) are increasingly being employed in critical real-world applications, several methods have been proposed in recent literature to explain the predictions of these models. However, there has been little to no…

Machine Learning · Computer Science 2022-02-23 Chirag Agarwal , Marinka Zitnik , Himabindu Lakkaraju

Given the increasing promise of graph neural networks (GNNs) in real-world applications, several methods have been developed for explaining their predictions. Existing methods for interpreting predictions from GNNs have primarily focused on…

Machine Learning · Computer Science 2022-02-24 Ana Lucic , Maartje ter Hoeve , Gabriele Tolomei , Maarten de Rijke , Fabrizio Silvestri

A Markov network characterizes the conditional independence structure, or Markov property, among a set of random variables. Existing work focuses on specific families of distributions (e.g., exponential families) and/or certain structures…

Machine Learning · Computer Science 2023-05-22 Yujia Zheng , Ignavier Ng , Yewen Fan , Kun Zhang

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

Graph Neural Networks (GNNs) are a popular class of machine learning models. Inspired by the learning to explain (L2X) paradigm, we propose L2XGNN, a framework for explainable GNNs which provides faithful explanations by design. L2XGNN…

Machine Learning · Computer Science 2024-06-17 Giuseppe Serra , Mathias Niepert

Graph Neural Networks (GNNs) are powerful models that can manage complex data sources and their interconnection links. One of GNNs' main drawbacks is their lack of interpretability, which limits their application in sensitive fields. In…

Machine Learning · Computer Science 2026-03-24 Salvatore Calderaro , Domenico Amato , Giosuè Lo Bosco , Riccardo Rizzo , Filippo Vella

Advanced cyber threats (e.g., Fileless Malware and Advanced Persistent Threat (APT)) have driven the adoption of provenance-based security solutions. These solutions employ Machine Learning (ML) models for behavioral modeling and critical…

Cryptography and Security · Computer Science 2025-10-10 Kunal Mukherjee , Joshua Wiedemeier , Tianhao Wang , Muhyun Kim , Feng Chen , Murat Kantarcioglu , Kangkook Jee

Sparse graph recovery methods work well where the data follows their assumptions but often they are not designed for doing downstream probabilistic queries. This limits their adoption to only identifying connections among the input…

Machine Learning · Computer Science 2024-10-23 Harsh Shrivastava , Urszula Chajewska

Dementia is a progressive neurodegenerative disorder with multiple etiologies, including Alzheimer's disease, Parkinson's disease, frontotemporal dementia, and vascular dementia. Its clinical and biological heterogeneity makes diagnosis and…

Machine Learning · Computer Science 2025-09-24 Niharika Tewari , Nguyen Linh Dan Le , Mujie Liu , Jing Ren , Ziqi Xu , Tabinda Sarwar , Veeky Baths , Feng Xia

Probabilistic graphical models (PGMs) serve as a powerful framework for modeling complex systems with uncertainty and extracting valuable insights from data. However, users face challenges when applying PGMs to their problems in terms of…

Machine Learning · Computer Science 2024-05-29 Jiantong Jiang , Zeyi Wen , Peiyu Yang , Atif Mansoor , Ajmal Mian

Temporal graph neural networks (TGNNs) have gained significant traction for solving real-world temporal graph tasks. However, their interpretability remains limited, as most TGNNs fail to identify which historical interactions most…

Machine Learning · Computer Science 2026-05-20 Hongjiang Chen , Xin Zheng , Pengfei Jiao , Huan Liu , Zhidong Zhao , Huaming Wu , Feng Xia , Shirui Pan

Explainability is crucial for the application of black-box Graph Neural Networks (GNNs) in critical fields such as healthcare, finance, cybersecurity, and more. Various feature attribution methods, especially the perturbation-based methods,…

Machine Learning · Computer Science 2024-12-31 Xingping Xian , Jianlu Liu , Chao Wang , Tao Wu , Shaojie Qiao , Xiaochuan Tang , Qun Liu

We investigate a correspondence between two formalisms for discrete probabilistic modeling: probabilistic graphical models (PGMs) and tensor networks (TNs), a powerful modeling framework for simulating complex quantum systems. The graphical…

Machine Learning · Statistics 2021-07-01 Jacob Miller , Geoffrey Roeder , Tai-Danae Bradley
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