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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

Activation functions are crucial in graph neural networks (GNNs) as they allow defining a nonlinear family of functions to capture the relationship between the input graph data and their representations. This paper proposes activation…

Signal Processing · Electrical Eng. & Systems 2020-09-16 Bianca Iancu , Luana Ruiz , Alejandro Ribeiro , Elvin Isufi

The scope of research in the domain of activation functions remains limited and centered around improving the ease of optimization or generalization quality of neural networks (NNs). However, to develop a deeper understanding of deep…

Machine Learning · Computer Science 2020-12-10 Mohit Goyal , Rajan Goyal , Brejesh Lall

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

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

Feed-forward neural networks (NN) are a staple machine learning method widely used in many areas of science and technology. While even a single-hidden layer NN is a universal approximator, its expressive power is limited by the use of…

Machine Learning · Statistics 2023-09-28 Sergei Manzhos , Manabu Ihara

Graph neural networks (GNNs) excel in learning from network-like data but often lack interpretability, making their application challenging in domains requiring transparent decision-making. We propose the Graph Kolmogorov-Arnold Network…

Machine Learning · Computer Science 2025-06-02 Gianluca De Carlo , Andrea Mastropietro , Aris Anagnostopoulos

A key to deciphering the inner workings of neural networks is understanding what a model has learned. Promising methods for discovering learned features are based on analyzing activation values, whereby current techniques focus on analyzing…

Machine Learning · Computer Science 2022-06-23 Alex Bäuerle , Daniel Jönsson , Timo Ropinski

With the growing use of deep learning methods, particularly graph neural networks, which encode intricate interconnectedness information, for a variety of real tasks, there is a necessity for explainability in such settings. In this paper,…

Machine Learning · Computer Science 2022-11-04 Harsh Patel , Shivam Sahni

What types of numeric representations emerge in neural systems, and what would a satisfying answer to this question look like? In this work, we interpret Neural Network (NN) solutions to sequence based number tasks using a variety of…

Machine Learning · Computer Science 2025-08-19 Satchel Grant , Noah D. Goodman , James L. McClelland

Deep learning methods are achieving ever-increasing performance on many artificial intelligence tasks. A major limitation of deep models is that they are not amenable to interpretability. This limitation can be circumvented by developing…

Machine Learning · Computer Science 2022-07-05 Hao Yuan , Haiyang Yu , Shurui Gui , Shuiwang Ji

In this work, we study scaling limits of shallow Bayesian neural networks (BNNs) via their connection to Gaussian processes (GPs), with an emphasis on statistical modeling, identifiability, and scalable inference. We first establish a…

Machine Learning · Statistics 2026-02-27 Gracielle Antunes de Araújo , Flávio B. Gonçalves

Graph Neural Networks (GNNs), which generalize the deep neural networks to graph-structured data, have achieved great success in modeling graphs. However, as an extension of deep learning for graphs, GNNs lack explainability, which largely…

Machine Learning · Computer Science 2021-08-30 Enyan Dai , Suhang Wang

Graph Neural Networks (GNNs) are deep learning models that take graph data as inputs, and they are applied to various tasks such as traffic prediction and molecular property prediction. However, owing to the complexity of the GNNs, it has…

Machine Learning · Computer Science 2021-11-02 Tetsu Kasanishi , Xueting Wang , Toshihiko Yamasaki

Learning models that execute algorithms can enable us to address a key problem in deep learning: generalizing to out-of-distribution data. However, neural networks are currently unable to execute recursive algorithms because they do not…

Machine Learning · Computer Science 2023-11-22 Jonas Jürß , Dulhan Jayalath , Petar Veličković

Self-explaining models are models that reveal decision making parameters in an interpretable manner so that the model reasoning process can be directly understood by human beings. General Linear Models (GLMs) are self-explaining because the…

Machine Learning · Computer Science 2019-05-31 Yingjing Lu , Runde Yang

Recent advances in neural algorithmic reasoning with graph neural networks (GNNs) are propped up by the notion of algorithmic alignment. Broadly, a neural network will be better at learning to execute a reasoning task (in terms of sample…

Machine Learning · Computer Science 2022-10-12 Andrew Dudzik , Petar Veličković

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

Deep neural networks achieve outstanding results in a large variety of tasks, often outperforming human experts. However, a known limitation of current neural architectures is the poor accessibility to understand and interpret the network…

Computer Vision and Pattern Recognition · Computer Science 2022-03-08 Nicola Garau , Niccolò Bisagno , Zeno Sambugaro , Nicola Conci

Deep neural networks have been successfully used in diverse emerging domains to solve real world complex problems with may more deep learning(DL) architectures, being developed to date. To achieve these state-of-the-art performances, the DL…

Machine Learning · Computer Science 2018-11-09 Chigozie Nwankpa , Winifred Ijomah , Anthony Gachagan , Stephen Marshall
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