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We build interpretable and lightweight transformer-like neural networks by unrolling iterative optimization algorithms that minimize graph smoothness priors -- the quadratic graph Laplacian regularizer (GLR) and the $\ell_1$-norm graph…

Machine Learning · Computer Science 2024-11-07 Tam Thuc Do , Parham Eftekhar , Seyed Alireza Hosseini , Gene Cheung , Philip Chou

Graph Neural Networks (GNNs) have emerged as the predominant approach for learning over graph-structured data. However, most GNNs operate as black-box models and require post-hoc explanations, which may not suffice in high-stakes scenarios…

Machine Learning · Computer Science 2025-10-14 Maya Bechler-Speicher , Amir Globerson , Ran Gilad-Bachrach

Graph Neural Networks (GNNs) have become a standard approach for learning from graph-structured data. However, their reliance on parametric classifiers (most often linear softmax layers) limits interpretability and sometimes hinders…

Machine Learning · Computer Science 2026-02-03 Zeljko Bolevic , Milos Brajovic , Isidora Stankovic , Ljubisa Stankovic

The graph Laplacian regularization term is usually used in semi-supervised representation learning to provide graph structure information for a model $f(X)$. However, with the recent popularity of graph neural networks (GNNs), directly…

Machine Learning · Computer Science 2020-12-22 Han Yang , Kaili Ma , James Cheng

Graph neural network (GNN) is a popular tool to learn the lower-dimensional representation of a graph. It facilitates the applicability of machine learning tasks on graphs by incorporating domain-specific features. There are various options…

Machine Learning · Computer Science 2020-08-21 Md. Khaledur Rahman

Graph neural networks (GNNs) are highly effective on a variety of graph-related tasks; however, they lack interpretability and transparency. Current explainability approaches are typically local and treat GNNs as black-boxes. They do not…

Machine Learning · Computer Science 2023-03-10 Han Xuanyuan , Pietro Barbiero , Dobrik Georgiev , Lucie Charlotte Magister , Pietro Lió

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

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

The interpretability of neural networks (NNs) is a challenging but essential topic for transparency in the decision-making process using machine learning. One of the reasons for the lack of interpretability is random weight initialization,…

Machine Learning · Computer Science 2021-03-01 Shohei Kubota , Hideaki Hayashi , Tomohiro Hayase , Seiichi Uchida

Graph convolutional neural networks (GCNNs) have been widely used in graph learning. It has been observed that the smoothness functional on graphs can be defined in terms of the graph Laplacian. This fact points out in the direction of…

Machine Learning · Computer Science 2020-09-30 Asif Salim , Sumitra S

Deep models have advanced prediction in many domains, but their lack of interpretability remains a key barrier to the adoption in many real world applications. There exists a large body of work aiming to help humans understand these black…

Machine Learning · Computer Science 2019-08-15 Mike Wu , Sonali Parbhoo , Michael C. Hughes , Volker Roth , Finale Doshi-Velez

Graph neural networks (GNNs) are fundamental tools in graph machine learning. The performance of GNNs relies crucially on the availability of informative node features, which can be limited or absent in real-life datasets and applications.…

Machine Learning · Computer Science 2025-12-08 Ziyao Cui , Edric Tam

Neural networks have greatly boosted performance in computer vision by learning powerful representations of input data. The drawback of end-to-end training for maximal overall performance are black-box models whose hidden representations…

Computer Vision and Pattern Recognition · Computer Science 2020-04-29 Patrick Esser , Robin Rombach , Björn Ommer

Traditional neural networks have an impressive classification performance, but what they learn cannot be inspected, verified or extracted. Neural Logic Networks on the other hand have an interpretable structure that enables them to learn a…

Machine Learning · Computer Science 2026-01-26 Vincent Perreault , Katsumi Inoue , Richard Labib , Alain Hertz

Graph neural networks trained to predict observable dynamics can be used to decompose the temporal activity of complex heterogeneous systems into simple, interpretable representations. Here we apply this framework to simulated neural…

Neurons and Cognition · Quantitative Biology 2026-02-17 Cédric Allier , Larissa Heinrich , Magdalena Schneider , Stephan Saalfeld

We consider the problem of inferring the unobserved edges of a graph from data supported on its nodes. In line with existing approaches, we propose a convex program for recovering a graph Laplacian that is approximately diagonalizable by a…

Signal Processing · Electrical Eng. & Systems 2020-10-16 T. Mitchell Roddenberry , Madeline Navarro , Santiago Segarra

Recent work in graph neural networks (GNNs) has led to improvements in molecular activity and property prediction tasks. Unfortunately, GNNs often fail to capture the relative importance of interactions between molecular substructures, in…

Machine Learning · Computer Science 2020-04-03 Emmanuel Noutahi , Dominique Beaini , Julien Horwood , Sébastien Giguère , Prudencio Tossou

Learning a graph with a specific structure is essential for interpretability and identification of the relationships among data. It is well known that structured graph learning from observed samples is an NP-hard combinatorial problem. In…

Machine Learning · Statistics 2019-09-26 Sandeep Kumar , Jiaxi Ying , Jos'e Vin'icius de M. Cardoso , Daniel P. Palomar

Generic deep learning (DL) networks for image restoration like denoising and interpolation lack mathematical interpretability, require voluminous training data to tune a large parameter set, and are fragile in the face of covariate shift.…

Image and Video Processing · Electrical Eng. & Systems 2025-03-13 Jianghe Cai , Gene Cheung , Fei Chen

The ubiquity of neural networks (NNs) in real-world applications, from healthcare to natural language processing, underscores their immense utility in capturing complex relationships within high-dimensional data. However, NNs come with…

Machine Learning · Computer Science 2024-07-08 Chang Yue , Niraj K. Jha
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