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Graph neural networks are promising architecture for learning and inference with graph-structured data. Yet difficulties in modelling the ``parts'' and their ``interactions'' still persist in terms of graph classification, where graph-level…

Machine Learning · Computer Science 2020-06-30 Kai Zhang , Yaokang Zhu , Jun Wang , Jie Zhang , Hongyuan Zha

Mechanistic interpretability aims to reverse engineer neural networks by uncovering which high-level algorithms they implement. Causal abstraction provides a precise notion of when a network implements an algorithm, i.e., a causal model of…

Machine Learning · Computer Science 2025-03-17 Theodora-Mara Pîslar , Sara Magliacane , Atticus Geiger

Recent advancements in graph learning have revolutionized the way to understand and analyze data with complex structures. Notably, Graph Neural Networks (GNNs), i.e. neural network architectures designed for learning graph representations,…

Machine Learning · Computer Science 2024-07-09 Yu Huang , Min Zhou , Menglin Yang , Zhen Wang , Muhan Zhang , Jie Wang , Hong Xie , Hao Wang , Defu Lian , Enhong Chen

Graph Neural Networks (GNNs) excel in delineating graph structures in diverse domains, including community analysis and recommendation systems. As the interpretation of GNNs becomes increasingly important, the demand for robust baselines…

Machine Learning · Computer Science 2024-05-30 Ming-Yi Hong , Yi-Hsiang Huang , Shao-En Lin , You-Chen Teng , Chih-Yu Wang , Che Lin

This paper provides an entry point to the problem of interpreting a deep neural network model and explaining its predictions. It is based on a tutorial given at ICASSP 2017. It introduces some recently proposed techniques of interpretation,…

Machine Learning · Computer Science 2017-11-15 Grégoire Montavon , Wojciech Samek , Klaus-Robert Müller

Graph Neural Networks (GNNs) have received a lot of interest in the recent times. From the early spectral architectures that could only operate on undirected graphs per a transductive learning paradigm to the current state of the art…

Machine Learning · Computer Science 2021-05-18 Pushkar Mishra , Aleksandra Piktus , Gerard Goossen , Fabrizio Silvestri

The success of deep learning has revolutionized many fields of research including areas of computer vision, text and speech processing. Enormous research efforts have led to numerous methods that are capable of efficiently analyzing data,…

Machine Learning · Computer Science 2020-07-20 Christoph Heindl

The success of Graph Neural Networks (GNNs) has led to a need for understanding their decision-making process and providing explanations for their predictions, which has given rise to explainable AI (XAI) that offers transparent…

Machine Learning · Computer Science 2024-02-21 Sangwoo Seo , Sungwon Kim , Chanyoung Park

Similarity search is a fundamental task for exploiting information in various applications dealing with graph data, such as citation networks or knowledge graphs. While this task has been intensively approached from heuristics to graph…

Machine Learning · Computer Science 2026-05-12 Daniel Daza , Cuong Xuan Chu , Trung-Kien Tran , Daria Stepanova , Michael Cochez , Paul Groth

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

Interpretable insights from predictive models remain critical in bio-statistics, particularly when assessing causality, where classical statistical and machine learning methods often provide inherent clarity. While Neural Networks (NNs)…

Applications · Statistics 2025-05-02 Jean-Baptiste A. Conan

Graph Neural Networks (GNNs) are widely used deep learning models that learn meaningful representations from graph-structured data. Due to the finite nature of the underlying recurrent structure, current GNN methods may struggle to capture…

Machine Learning · Computer Science 2021-06-02 Fangda Gu , Heng Chang , Wenwu Zhu , Somayeh Sojoudi , Laurent El Ghaoui

Artificial Intelligence has emerged as a useful aid in numerous clinical applications for diagnosis and treatment decisions. Deep neural networks have shown same or better performance than clinicians in many tasks owing to the rapid…

Image and Video Processing · Electrical Eng. & Systems 2021-11-05 Zohaib Salahuddin , Henry C Woodruff , Avishek Chatterjee , Philippe Lambin

Currently, attention mechanisms have garnered increasing attention in Graph Neural Networks (GNNs), such as Graph Attention Networks (GATs) and Graph Transformers (GTs). It is not only due to the commendable boost in performance they offer…

Machine Learning · Computer Science 2024-10-10 Lijie Hu , Tianhao Huang , Lu Yu , Wanyu Lin , Tianhang Zheng , Di Wang

Machine learning is permeating every conceivable domain to promote data-driven decision support. The focus is often on advanced black-box models due to their assumed performance advantages, whereas interpretable models are often associated…

Machine Learning · Computer Science 2024-09-24 Sven Kruschel , Nico Hambauer , Sven Weinzierl , Sandra Zilker , Mathias Kraus , Patrick Zschech

Mechanistic interpretability (MI) is an emerging sub-field of interpretability that seeks to understand a neural network model by reverse-engineering its internal computations. Recently, MI has garnered significant attention for…

Artificial Intelligence · Computer Science 2025-10-14 Daking Rai , Yilun Zhou , Shi Feng , Abulhair Saparov , Ziyu Yao

We study the use of binary activated neural networks as interpretable and explainable predictors in the context of regression tasks on tabular data; more specifically, we provide guarantees on their expressiveness, present an approach based…

Machine Learning · Computer Science 2024-06-11 Benjamin Leblanc , Pascal Germain

Graph neural networks (GNNs) have become a popular approach to integrating structural inductive biases into NLP models. However, there has been little work on interpreting them, and specifically on understanding which parts of the graphs…

Computation and Language · Computer Science 2022-10-04 Michael Sejr Schlichtkrull , Nicola De Cao , Ivan Titov

Graph Neural Networks (GNNs) have emerged as powerful tools to encode graph-structured data. Due to their broad applications, there is an increasing need to develop tools to explain how GNNs make decisions given graph-structured data.…

Machine Learning · Computer Science 2022-09-27 Yaochen Xie , Sumeet Katariya , Xianfeng Tang , Edward Huang , Nikhil Rao , Karthik Subbian , Shuiwang Ji

Graph neural networks (GNNs) have led to major breakthroughs in a variety of domains such as drug discovery, social network analysis, and travel time estimation. However, they lack interpretability which hinders human trust and thereby…

Machine Learning · Computer Science 2023-12-05 Jonas Jürß , Lucie Charlotte Magister , Pietro Barbiero , Pietro Liò , Nikola Simidjievski
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