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We present a novel approach to tackle explainability of deep graph networks in the context of molecule property prediction tasks, named MEG (Molecular Explanation Generator). We generate informative counterfactual explanations for a…

Quantitative Methods · Quantitative Biology 2020-11-11 Danilo Numeroso , Davide Bacciu

Explainable Artificial Intelligence (XAI) has emerged as a critical area of research to unravel the opaque inner logic of (deep) machine learning models. Among the various XAI techniques proposed in the literature, counterfactual…

Artificial Intelligence · Computer Science 2025-01-28 Flavio Giorgi , Cesare Campagnano , Fabrizio Silvestri , Gabriele Tolomei

Explainable AI (XAI) is a research area whose objective is to increase trustworthiness and to enlighten the hidden mechanism of opaque machine learning techniques. This becomes increasingly important in case such models are applied to the…

Machine Learning · Computer Science 2021-04-19 Danilo Numeroso , Davide Bacciu

Counterfactual explanations have emerged as a prominent method in Explainable Artificial Intelligence (XAI), providing intuitive and actionable insights into Machine Learning model decisions. In contrast to other traditional feature…

With the ongoing rise of machine learning, the need for methods for explaining decisions made by artificial intelligence systems is becoming a more and more important topic. Especially for image classification tasks, many state-of-the-art…

Machine Learning · Computer Science 2022-05-10 Silvan Mertes , Tobias Huber , Katharina Weitz , Alexander Heimerl , Elisabeth André

Natural language explanations of deep neural network decisions provide an intuitive way for a AI agent to articulate a reasoning process. Current textual explanations learn to discuss class discriminative features in an image. However, it…

Computer Vision and Pattern Recognition · Computer Science 2018-06-27 Lisa Anne Hendricks , Ronghang Hu , Trevor Darrell , Zeynep Akata

In the environment of fair lending laws and the General Data Protection Regulation (GDPR), the ability to explain a model's prediction is of paramount importance. High quality explanations are the first step in assessing fairness.…

Machine Learning · Computer Science 2021-06-23 Rachana Balasubramanian , Samuel Sharpe , Brian Barr , Jason Wittenbach , C. Bayan Bruss

Graph-structured data are pervasive in the real-world such as social networks, molecular graphs and transaction networks. Graph neural networks (GNNs) have achieved great success in representation learning on graphs, facilitating various…

Machine Learning · Computer Science 2025-02-27 Zhimeng Guo , Teng Xiao , Zongyu Wu , Charu Aggarwal , Hui Liu , Suhang Wang

Visual counterfactual explanations are ideal hypothetical images that change the decision-making of the classifier with high confidence toward the desired class while remaining visually plausible and close to the initial image. In this…

Computer Vision and Pattern Recognition · Computer Science 2025-04-15 Tung Luu , Nam Le , Duc Le , Bac Le

Counterfactual explanations have emerged as a powerful tool to unveil the opaque decision-making processes of graph neural networks (GNNs). However, existing techniques primarily focus on edge modifications, often overlooking the crucial…

Machine Learning · Computer Science 2025-02-17 Flavio Giorgi , Fabrizio Silvestri , Gabriele Tolomei

Explainability of deep convolutional neural networks (DCNNs) is an important research topic that tries to uncover the reasons behind a DCNN model's decisions and improve their understanding and reliability in high-risk environments. In this…

Computer Vision and Pattern Recognition · Computer Science 2025-01-14 Syed Ali Tariq , Tehseen Zia , Mubeen Ghafoor

Hypergraph neural networks (HGNNs) effectively model higher-order interactions in many real-world systems but remain difficult to interpret, limiting their deployment in high-stakes settings. We introduce CF-HyperGNNExplainer, a…

Machine Learning · Computer Science 2026-05-26 Fabiano Veglianti , Lorenzo Antonelli , Gabriele Tolomei

In this paper, we demonstrate the feasibility of alterfactual explanations for black box image classifiers. Traditional explanation mechanisms from the field of Counterfactual Thinking are a widely-used paradigm for Explainable Artificial…

Computer Vision and Pattern Recognition · Computer Science 2024-05-10 Silvan Mertes , Tobias Huber , Christina Karle , Katharina Weitz , Ruben Schlagowski , Cristina Conati , Elisabeth André

With the wide use of deep neural networks (DNN), model interpretability has become a critical concern, since explainable decisions are preferred in high-stake scenarios. Current interpretation techniques mainly focus on the feature…

Machine Learning · Computer Science 2021-01-19 Fan Yang , Ninghao Liu , Mengnan Du , Xia Hu

Machine-learning models, which are known to accurately predict patterns from large datasets, are crucial in decision making. Consequently, counterfactual explanations-methods explaining predictions by introducing input perturbations-have…

Machine Learning · Computer Science 2024-04-23 Yuta Sumiya , Hayaru shouno

Graph neural networks have shown great ability in representation (GNNs) learning on graphs, facilitating various tasks. Despite their great performance in modeling graphs, recent works show that GNNs tend to inherit and amplify the bias…

Machine Learning · Computer Science 2023-08-22 Zhimeng Guo , Jialiang Li , Teng Xiao , Yao Ma , Suhang Wang

Temporal Graph Neural Networks (TGNNs) are widely used to model dynamic systems where relationships and features evolve over time. Although TGNNs demonstrate strong predictive capabilities in these domains, their complex architectures pose…

Machine Learning · Computer Science 2025-07-09 Zhan Qu , Daniel Gomm , Michael Färber

We propose an interactive methodology for generating counterfactual explanations for univariate time series data in classification tasks by leveraging 2D projections and decision boundary maps to tackle interpretability challenges. Our…

Machine Learning · Computer Science 2024-08-21 Udo Schlegel , Julius Rauscher , Daniel A. Keim

Node representation learning, such as Graph Neural Networks (GNNs), has emerged as a pivotal method in machine learning. The demand for reliable explanation generation surges, yet unsupervised models remain underexplored. To bridge this…

Machine Learning · Computer Science 2026-05-19 Hyunju Kang , Geonhee Han , Hogun Park

Graph Neural Networks (GNNs) have become a powerful tool for modeling and analyzing data with graph structures. The wide adoption in numerous applications underscores the value of these models. However, the complexity of these methods often…

Artificial Intelligence · Computer Science 2025-12-10 Tien Cuong Bui