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Graphical models capture relations between entities in a wide range of applications including social networks, biology, and natural language processing, among others. Graph neural networks (GNN) are neural models that operate over graphs,…

Machine Learning · Computer Science 2024-02-08 Xu Zheng , Farhad Shirani , Tianchun Wang , Shouwei Gao , Wenqian Dong , Wei Cheng , Dongsheng Luo

Deep neural networks have demonstrated remarkable performance in many data-driven and prediction-oriented applications, and sometimes even perform better than humans. However, their most significant drawback is the lack of interpretability,…

Machine Learning · Computer Science 2023-02-22 Jiahui Li , Kun Kuang , Lin Li , Long Chen , Songyang Zhang , Jian Shao , Jun Xiao

This work presents a novel graph neural network (GNN) architecture, the Feature-specific Interpretable Graph Neural Network (FIGNN), designed to enhance the interpretability of deep learning surrogate models defined on unstructured grids in…

Machine Learning · Computer Science 2025-06-16 Riddhiman Raut , Romit Maulik , Shivam Barwey

Graph neural networks (GNNs) demonstrate great performance in compound property and activity prediction due to their capability to efficiently learn complex molecular graph structures. However, two main limitations persist including…

Biomolecules · Quantitative Biology 2023-10-10 Apakorn Kengkanna , Masahito Ohue

Deep neural networks (DNN) have achieved unprecedented performance in computer-vision tasks almost ubiquitously in business, technology, and science. While substantial efforts are made to engineer highly accurate architectures and provide…

Image and Video Processing · Electrical Eng. & Systems 2022-09-08 Sumedha Singla

Comprehensible neural network explanations are foundations for a better understanding of decisions, especially when the input data are infused with malicious perturbations. Existing solutions generally mitigate the impact of perturbations…

Machine Learning · Computer Science 2025-02-21 Yicong Li , Kuanjiu Zhou , Shuo Yu , Qiang Zhang , Renqiang Luo , Xiaodong Li , Feng Xia

In this paper, we investigate the degree of explainability of graph neural networks (GNNs). Existing explainers work by finding global/local subgraphs to explain a prediction, but they are applied after a GNN has already been trained. Here,…

Machine Learning · Computer Science 2022-12-21 Indro Spinelli , Simone Scardapane , Aurelio Uncini

Prediction accuracy and model explainability are the two most important objectives when developing machine learning algorithms to solve real-world problems. The neural networks are known to possess good prediction performance, but lack of…

Machine Learning · Statistics 2019-09-04 Zebin Yang , Aijun Zhang , Agus Sudjianto

Recent studies seek to provide Graph Neural Network (GNN) interpretability via multiple unsupervised learning models. Due to the scarcity of datasets, current methods easily suffer from learning bias. To solve this problem, we embed a Large…

Machine Learning · Computer Science 2024-07-24 Jiaxing Zhang , Jiayi Liu , Dongsheng Luo , Jennifer Neville , Hua Wei

Explainability has been widely stated as a cornerstone of the responsible and trustworthy use of machine learning models. With the ubiquitous use of Deep Neural Network (DNN) models expanding to risk-sensitive and safety-critical domains,…

Despite the recent success of neural network models in mimicking animal performance on visual perceptual tasks, critics worry that these models fail to illuminate brain function. We take it that a central approach to explanation in systems…

Neurons and Cognition · Quantitative Biology 2021-04-13 Rosa Cao , Daniel Yamins

This paper presents a method to explain the knowledge encoded in a convolutional neural network (CNN) quantitatively and semantically. The analysis of the specific rationale of each prediction made by the CNN presents a key issue of…

Computer Vision and Pattern Recognition · Computer Science 2018-12-19 Runjin Chen , Hao Chen , Ge Huang , Jie Ren , Quanshi Zhang

Convolutional neural network (CNN) models have seen advanced improvements in performance in various domains, but lack of interpretability is a major barrier to assurance and regulation during operation for acceptance and deployment of…

Machine Learning · Computer Science 2022-11-02 Wenli Yang , Guan Huang , Renjie Li , Jiahao Yu , Yanyu Chen , Quan Bai , Beyong Kang

Vulnerability detection is crucial for ensuring the security and reliability of software systems. Recently, Graph Neural Networks (GNNs) have emerged as a prominent code embedding approach for vulnerability detection, owing to their ability…

Software Engineering · Computer Science 2024-07-16 Zhaoyang Chu , Yao Wan , Qian Li , Yang Wu , Hongyu Zhang , Yulei Sui , Guandong Xu , Hai Jin

Graph Neural Networks (GNNs) have emerged as a powerful tool to learn from graph-structured data. A paramount example of such data is the brain, which operates as a network, from the micro-scale of neurons, to the macro-scale of regions.…

Machine Learning · Computer Science 2022-11-17 Ahmed ElGazzar , Rajat Thomas , Guido van Wingen

Deep Neural Networks (DNNs) are widely used for decision making in a myriad of critical applications, ranging from medical to societal and even judicial. Given the importance of these decisions, it is crucial for us to be able to interpret…

Computer Vision and Pattern Recognition · Computer Science 2022-11-28 Teddy Koker , Fatemehsadat Mireshghallah , Tom Titcombe , Georgios Kaissis

This paper reviews recent studies in understanding neural-network representations and learning neural networks with interpretable/disentangled middle-layer representations. Although deep neural networks have exhibited superior performance…

Computer Vision and Pattern Recognition · Computer Science 2018-02-08 Quanshi Zhang , Song-Chun Zhu

The goal of this work is to address two limitations in autoencoder-based models: latent space interpretability and compatibility with unstructured meshes. This is accomplished here with the development of a novel graph neural network (GNN)…

Machine Learning · Computer Science 2023-02-20 Shivam Barwey , Varun Shankar , Venkatasubramanian Viswanathan , Romit Maulik

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

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