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The layered structure of deep neural networks hinders the use of numerous analysis tools and thus the development of its interpretability. Inspired by the success of functional brain networks, we propose a novel framework for…

Machine Learning · Computer Science 2022-05-25 Ben Zhang , Zhetong Dong , Junsong Zhang , Hongwei Lin

Graph neural networks (GNNs) are powerful tools for conducting inference on graph data but are often seen as "black boxes" due to difficulty in extracting meaningful subnetworks driving predictive performance. Many interpretable GNN methods…

Machine Learning · Statistics 2024-12-17 Whitney Sloneker , Shalin Patel , Michael Wang , Lorin Crawford , Ritambhara Singh

Graphs serve as generic tools to encode the underlying relational structure of data. Often this graph is not given, and so the task of inferring it from nodal observations becomes important. Traditional approaches formulate a convex inverse…

Machine Learning · Computer Science 2024-06-24 Max Wasserman , Gonzalo Mateos

We look at the internal structure of neural networks which is usually treated as a black box. The easiest and the most comprehensible thing to do is to look at a binary classification and try to understand the approach a neural network…

Machine Learning · Computer Science 2023-01-25 Tushar Pandey

For the past few years, Deep Neural Network (DNN) robustness has become a question of paramount importance. As a matter of fact, in sensitive settings misclassification can lead to dramatic consequences. Such misclassifications are likely…

Machine Learning · Computer Science 2018-10-04 Carlos Eduardo Rosar Kos Lassance , Vincent Gripon , Antonio Ortega

One significant challenge of exploiting Graph neural networks (GNNs) in real-life scenarios is that they are always treated as black boxes, therefore leading to the requirement of interpretability. To address this, model-level…

Machine Learning · Computer Science 2025-09-22 Xiao Yue , Guangzhi Qu , Lige Gan

GNNs are powerful models based on node representation learning that perform particularly well in many machine learning problems related to graphs. The major obstacle to the deployment of GNNs is mostly a problem of societal acceptability…

Machine Learning · Computer Science 2024-06-18 Luca Veyrin-Forrer , Ataollah Kamal , Stefan Duffner , Marc Plantevit , Céline Robardet

Graph neural networks (GNNs) are a class of neural networks that allow to efficiently perform inference on data that is associated to a graph structure, such as, e.g., citation networks or knowledge graphs. While several variants of GNNs…

Neural and Evolutionary Computing · Computer Science 2018-02-27 Simone Scardapane , Steven Van Vaerenbergh , Danilo Comminiello , Aurelio Uncini

Standard deep learning architectures used for classification generate label predictions with a projection head and softmax activation function. Although successful, these methods fail to leverage the relational information between samples…

Machine Learning · Computer Science 2025-12-10 Jason Brown , Bohan Chen , Harris Hardiman-Mostow , Jeff Calder , Andrea L. Bertozzi

Without any means of interpretation, neural networks that predict molecular properties and bioactivities are merely black boxes. We will unravel these black boxes and will demonstrate approaches to understand the learned representations…

Machine Learning · Computer Science 2019-03-19 Kristina Preuer , Günter Klambauer , Friedrich Rippmann , Sepp Hochreiter , Thomas Unterthiner

Human brains lie at the core of complex neurobiological systems, where the neurons, circuits, and subsystems interact in enigmatic ways. Understanding the structural and functional mechanisms of the brain has long been an intriguing pursuit…

Neurons and Cognition · Quantitative Biology 2022-07-26 Hejie Cui , Wei Dai , Yanqiao Zhu , Xiaoxiao Li , Lifang He , Carl Yang

We introduce a graph renormalization procedure based on the coarse-grained Laplacian, which generates reduced-complexity representations for characteristic scales identified through the spectral gap. This method retains both diffusion…

Statistical Mechanics · Physics 2024-11-20 M. Schmidt , F. Caccioli , T. Aste

We present the spectrum of the (normalized) graph Laplacian as a systematic tool for the investigation of networks, and we describe basic properties of eigenvalues and eigenfunctions. Processes of graph formation like motif joining or…

Adaptation and Self-Organizing Systems · Physics 2012-10-19 Anirban Banerjee , Jürgen Jost

Low-rank approximation models of data matrices have become important machine learning and data mining tools in many fields including computer vision, text mining, bioinformatics and many others. They allow for embedding high-dimensional…

Machine Learning · Computer Science 2020-10-19 Penglong Zhai , Shihua Zhang

Data in tabular format is frequently occurring in real-world applications. Graph Neural Networks (GNNs) have recently been extended to effectively handle such data, allowing feature interactions to be captured through representation…

Machine Learning · Computer Science 2024-08-14 Amr Alkhatib , Sofiane Ennadir , Henrik Boström , Michalis Vazirgiannis

Neural networks are often regarded as "black boxes" due to their complex functions and numerous parameters, which poses significant challenges for interpretability. This study addresses these challenges by introducing methods to enhance the…

Machine Learning · Statistics 2024-09-26 Mohamad Yamen AL Mohamad , Hossein Bevrani , Ali Akbar Haydari

Graph Convolutional Neural Networks (GCNNs) are generalizations of CNNs to graph-structured data, in which convolution is guided by the graph topology. In many cases where graphs are unavailable, existing methods manually construct graphs…

Machine Learning · Computer Science 2019-09-17 Xiang Gao , Wei Hu , Zongming Guo

Works on implicit regularization have studied gradient trajectories during the optimization process to explain why deep networks favor certain kinds of solutions over others. In deep linear networks, it has been shown that gradient descent…

Machine Learning · Computer Science 2023-06-02 Dan Zhao

Graph neural networks (GNNs) are powerful tools on graph data. However, their predictions are mis-calibrated and lack interpretability, limiting their adoption in critical applications. To address this issue, we propose a new…

Machine Learning · Computer Science 2025-08-26 Lingkai Kong , Haotian Sun , Yuchen Zhuang , Haorui Wang , Wenhao Mu , Chao Zhang

Deep neural networks are widely used in practical applications of AI, however, their inner structure and complexity made them generally not easily interpretable. Model transparency and interpretability are key requirements for multiple…

Machine Learning · Computer Science 2026-01-13 Luca Bergamin , Roberto Confalonieri , Fabio Aiolli