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Graph Neural Networks (GNNs) have become increasingly ubiquitous in numerous applications and systems, necessitating explanations of their predictions, especially when making critical decisions. However, explaining GNNs is challenging due…

Machine Learning · Computer Science 2022-10-21 Tien-Cuong Bui , Van-Duc Le , Wen-syan Li , Sang Kyun Cha

Graph signals are signals with an irregular structure that can be described by a graph. Graph neural networks (GNNs) are information processing architectures tailored to these graph signals and made of stacked layers that compose graph…

Signal Processing · Electrical Eng. & Systems 2020-02-19 Luana Ruiz , Fernando Gama , Antonio G. Marques , Alejandro Ribeiro

Graph Neural Networks (GNNs) have shown great ability in modeling graph-structured data for various domains. However, GNNs are known as black-box models that lack interpretability. Without understanding their inner working, we cannot fully…

Machine Learning · Computer Science 2022-10-06 Enyan Dai , Suhang Wang

Activation functions play a central role in neural networks by shaping internal representations. Recently, learning binary activation representations has attracted significant attention due to their advantages in computational and memory…

Machine Learning · Computer Science 2026-05-13 Seokhun Park , Choeun Kim , Kwanho Lee , Sehyun Park , Insung Kong , Yongdai Kim

In the study of neural network interpretability, there is growing evidence to suggest that relevant features are encoded across many neurons in a distributed fashion. Making sense of these distributed representations without knowledge of…

Machine Learning · Computer Science 2025-01-28 Kyle Reing , Greg Ver Steeg , Aram Galstyan

Graph neural networks (GNNs) have demonstrated a significant boost in prediction performance on graph data. At the same time, the predictions made by these models are often hard to interpret. In that regard, many efforts have been made to…

Machine Learning · Computer Science 2023-05-24 Yiqiao Li , Jianlong Zhou , Sunny Verma , Fang Chen

Sensor-based Human Activity Recognition (HAR) in smart home environments is crucial for several applications, especially in the healthcare domain. The majority of the existing approaches leverage deep learning models. While these approaches…

Artificial Intelligence · Computer Science 2026-01-06 Michele Fiori , Davide Mor , Gabriele Civitarese , Claudio Bettini

The computational capabilities of a neural network are widely assumed to be determined by its static architecture. Here we challenge this view by establishing that a fixed neural structure can operate in fundamentally different…

Neural and Evolutionary Computing · Computer Science 2025-09-24 Xia Chen

Deep neural networks have exhibited remarkable performance across a wide range of real-world tasks. However, comprehending the underlying reasons for their effectiveness remains a challenging problem. Interpreting deep neural networks…

Computer Vision and Pattern Recognition · Computer Science 2023-10-18 Chenxu Zhao , Wei Qian , Yucheng Shi , Mengdi Huai , Ninghao Liu

Recently, subgraphs-enhanced Graph Neural Networks (SGNNs) have been introduced to enhance the expressive power of Graph Neural Networks (GNNs), which was proved to be not higher than the 1-dimensional Weisfeiler-Leman isomorphism test. The…

Machine Learning · Computer Science 2023-01-20 Michele Guerra , Indro Spinelli , Simone Scardapane , Filippo Maria Bianchi

Spiking neural networks (SNNs), regarded as the third generation of artificial neural networks, are expected to bridge the gap between artificial intelligence and computational neuroscience. However, most mainstream SNN research directly…

Neural and Evolutionary Computing · Computer Science 2025-12-15 Yongsheng Huang , Peibo Duan , Yujie Wu , Kai Sun , Zhipeng Liu , Changsheng Zhang , Bin Zhang , Mingkun Xu

Most efforts in interpretability in deep learning have focused on (1) extracting explanations of a specific downstream task in relation to the input features and (2) imposing constraints on the model, often at the expense of predictive…

Machine Learning · Computer Science 2022-02-22 Marco Bertolini , Djork-Arné Clevert , Floriane Montanari

Graph Neural Networks (graph NNs) are a promising deep learning approach for analyzing graph-structured data. However, it is known that they do not improve (or sometimes worsen) their predictive performance as we pile up many layers and add…

Machine Learning · Computer Science 2021-01-07 Kenta Oono , Taiji Suzuki

Neural Networks (NN) with ReLU activation functions are used to model multiparametric quadratic optimization problems (mp-QP) in diverse engineering applications. Researchers have suggested leveraging the piecewise affine property of deep…

Optimization and Control · Mathematics 2025-10-31 Fuat Can Beylunioglu , Mehrdad Pirnia , P. Robert Duimering

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

A central goal for mechanistic interpretability has been to identify the right units of analysis in large language models (LLMs) that causally explain their outputs. While early work focused on individual neurons, evidence that neurons…

Computation and Language · Computer Science 2026-05-05 Or Shafran , Atticus Geiger , Mor Geva

Recently, graph-based models designed for downstream tasks have significantly advanced research on graph neural networks (GNNs). GNN baselines based on neural message-passing mechanisms such as GCN and GAT perform worse as the network…

Machine Learning · Computer Science 2023-01-26 Jiayuan Chen , Xiang Zhang , Yinfei Xu , Tianli Zhao , Renjie Xie , Wei Xu

Single neurons in neural networks are often interpretable in that they represent individual, intuitively meaningful features. However, many neurons exhibit $\textit{mixed selectivity}$, i.e., they represent multiple unrelated features. A…

Machine Learning · Statistics 2023-10-19 David Klindt , Sophia Sanborn , Francisco Acosta , Frédéric Poitevin , Nina Miolane

Understanding the decision-making process of Graph Neural Networks (GNNs) is crucial to their interpretability. Most existing methods for explaining GNNs typically rely on training auxiliary models, resulting in the explanations remain…

Machine Learning · Computer Science 2024-01-29 Shengyao Lu , Keith G. Mills , Jiao He , Bang Liu , Di Niu

Deep neural networks (DNNs) achieve remarkable performance on a wide range of tasks, yet their mathematical analysis remains fragmented: stability and generalization are typically studied in disparate frameworks and on a case-by-case basis.…

Machine Learning · Statistics 2026-01-29 Jonathan Vacher