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Deep learning has achieved remarkable success across many domains, but it has also created a growing demand for interpretability in model predictions. Although many explainable machine learning methods have been proposed, post-hoc…

Machine Learning · Computer Science 2026-01-28 Shijian Xu , Marcello Massimo Negri , Volker Roth

Recent years have witnessed the success of deep neural networks in many research areas. The fundamental idea behind the design of most neural networks is to learn similarity patterns from data for prediction and inference, which lacks the…

Machine Learning · Computer Science 2020-08-24 Shaoyun Shi , Hanxiong Chen , Weizhi Ma , Jiaxin Mao , Min Zhang , Yongfeng Zhang

Inference queries have been routinely issued to graph machine learning models such as graph neural networks (GNNs) for various network analytical tasks. Nevertheless, GNN outputs are often hard to interpret comprehensively. Existing methods…

Machine Learning · Computer Science 2025-11-25 Dazhuo Qiu , Haolai Che , Arijit Khan , Yinghui Wu

Finding the biomarkers associated with ASD is helpful for understanding the underlying roots of the disorder and can lead to earlier diagnosis and more targeted treatment. A promising approach to identify biomarkers is using Graph Neural…

Machine Learning · Computer Science 2019-07-15 Xiaoxiao Li , Nicha C. Dvornek , Yuan Zhou , Juntang Zhuang , Pamela Ventola , James S. Duncan

The rapid evolution of malware has necessitated the development of sophisticated detection methods that go beyond traditional signature-based approaches. Graph learning techniques have emerged as powerful tools for modeling and analyzing…

Cryptography and Security · Computer Science 2025-07-23 Hossein Shokouhinejad , Roozbeh Razavi-Far , Hesamodin Mohammadian , Mahdi Rabbani , Samuel Ansong , Griffin Higgins , Ali A Ghorbani

Recent advances in machine learning have led to a surge in adoption of neural networks for various tasks, but lack of interpretability remains an issue for many others in which an understanding of the features influencing the prediction is…

Understanding and interacting with everyday physical scenes requires rich knowledge about the structure of the world, represented either implicitly in a value or policy function, or explicitly in a transition model. Here we introduce a new…

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

With the rising interest in graph representation learning, a variety of approaches have been proposed to effectively capture a graph's properties. While these approaches have improved performance in graph machine learning tasks compared to…

Machine Learning · Computer Science 2019-10-09 Antonia Gogoglou , C. Bayan Bruss , Keegan E. Hines

Despite their success and widespread adoption, the opaque nature of deep neural networks (DNNs) continues to hinder trust, especially in critical applications. Current interpretability solutions often yield inconsistent or oversimplified…

Machine Learning · Computer Science 2024-10-10 Alec F. Diallo , Vaishak Belle , Paul Patras

Graphs are a fundamental abstraction for modeling relational data. However, graphs are discrete and combinatorial in nature, and learning representations suitable for machine learning tasks poses statistical and computational challenges. In…

Machine Learning · Statistics 2019-05-16 Aditya Grover , Aaron Zweig , Stefano Ermon

Lots of learning tasks require dealing with graph data which contains rich relation information among elements. Modeling physics systems, learning molecular fingerprints, predicting protein interface, and classifying diseases demand a model…

Machine Learning · Computer Science 2021-10-07 Jie Zhou , Ganqu Cui , Shengding Hu , Zhengyan Zhang , Cheng Yang , Zhiyuan Liu , Lifeng Wang , Changcheng Li , Maosong Sun

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

In the last decade or so, we have witnessed deep learning reinvigorating the machine learning field. It has solved many problems in the domains of computer vision, speech recognition, natural language processing, and various other tasks…

Machine Learning · Computer Science 2021-09-09 Lilapati Waikhom , Ripon Patgiri

In this work, we provide a new formulation for Graph Convolutional Neural Networks (GCNNs) for link prediction on graph data that addresses common challenges for biomedical knowledge graphs (KGs). We introduce a regularized attention…

Machine Learning · Computer Science 2018-12-04 Daniel Neil , Joss Briody , Alix Lacoste , Aaron Sim , Paidi Creed , Amir Saffari

Similarly to other connectionist models, Graph Neural Networks (GNNs) lack transparency in their decision-making. A number of sub-symbolic approaches have been developed to provide insights into the GNN decision making process. These are…

Artificial Intelligence · Computer Science 2021-12-06 Anna Himmelhuber , Stephan Grimm , Sonja Zillner , Mitchell Joblin , Martin Ringsquandl , Thomas Runkler

In complex inferential tasks like question answering, machine learning models must confront two challenges: the need to implement a compositional reasoning process, and, in many applications, the need for this reasoning process to be…

Computer Vision and Pattern Recognition · Computer Science 2019-03-08 Ronghang Hu , Jacob Andreas , Trevor Darrell , Kate Saenko

The rapid expansion of Internet of Things (IoT) ecosystems has led to increasingly complex and heterogeneous network topologies. Traditional network monitoring and visualization tools rely on aggregated metrics or static representations,…

A fundamental computation for statistical inference and accurate decision-making is to compute the marginal probabilities or most probable states of task-relevant variables. Probabilistic graphical models can efficiently represent the…

Machine Learning · Computer Science 2019-06-28 KiJung Yoon , Renjie Liao , Yuwen Xiong , Lisa Zhang , Ethan Fetaya , Raquel Urtasun , Richard Zemel , Xaq Pitkow

With the continue development of Convolutional Neural Networks (CNNs), there is a growing concern regarding representations that they encode internally. Analyzing these internal representations is referred to as model interpretation. While…

Computer Vision and Pattern Recognition · Computer Science 2023-05-18 Hamed Behzadi-Khormouji , José Oramas