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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

Most existing expressivity theories for neural networks assume exact real arithmetic, whereas practical neural networks are executed under finite-precision floating-point arithmetic with implementation-dependent execution semantics. Recent…

Machine Learning · Computer Science 2026-05-28 Yeachan Park , Geonho Hwang , Wonyeol Lee , Sejun Park

This work develops a distributed graph neural network (GNN) methodology for mesh-based modeling applications using a consistent neural message passing layer. As the name implies, the focus is on enabling scalable operations that satisfy…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-10-03 Shivam Barwey , Riccardo Balin , Bethany Lusch , Saumil Patel , Ramesh Balakrishnan , Pinaki Pal , Romit Maulik , Venkatram Vishwanath

A major challenge in Explainable AI is in correctly interpreting activations of hidden neurons: accurate interpretations would help answer the question of what a deep learning system internally detects as relevant in the input, demystifying…

Artificial Intelligence · Computer Science 2026-02-23 Abhilekha Dalal , Rushrukh Rayan , Adrita Barua , Eugene Y. Vasserman , Md Kamruzzaman Sarker , Pascal Hitzler

Deep Graph Neural Networks (GNNs) are essential for capturing complex dependencies in graph-structured data. However, scaling GNNs to depth remains challenging, as stacking layers leads to representation collapse and diminishing sensitivity…

Machine Learning · Computer Science 2026-05-26 Rémi Bourgerie , Šarūnas Girdzijauskas , Viktoria Fodor

We present a systematic comparison between neural network (NN) architectures for inference of AC-OPF solutions. Using fully connected NNs as a baseline we demonstrate the efficacy of leveraging network topology in the models by constructing…

Machine Learning · Computer Science 2020-12-02 Thomas Falconer , Letif Mones

Researchers commonly believe that neural networks model a high-dimensional space but cannot give a clear definition of this space. What is this space? What is its dimension? And does it has finite dimensions? In this paper, we develop a…

Machine Learning · Computer Science 2023-05-10 John Chiang

A common theoretical approach to understanding neural networks is to take an infinite-width limit, at which point the outputs become Gaussian process (GP) distributed. This is known as a neural network Gaussian process (NNGP). However, the…

Machine Learning · Statistics 2025-06-26 Ben Anson , Edward Milsom , Laurence Aitchison

Explainability is a vital aspect of modern AI for real-world impact and usability. The main objective of this paper is to emphasise the need to understand the predictions of Computer Vision models, specifically Convolutional Neural Network…

Computer Vision and Pattern Recognition · Computer Science 2026-05-18 Ravidu Suien Rammuni Silva , Jordan J. Bird

In this work, we propose a methodology for investigating the use of semantic attention to enhance the explainability of Graph Neural Network (GNN)-based models. Graph Deep Learning (GDL) has emerged as a promising field for tasks like scene…

Machine Learning · Computer Science 2023-10-24 Efimia Panagiotaki , Daniele De Martini , Lars Kunze

Graph Neural Networks (GNNs) excel at learning from pairwise interactions but often overlook multi-way and hierarchical relationships. Topological Deep Learning (TDL) addresses this limitation by leveraging combinatorial topological spaces.…

Graph Neural Networks (GNNs) have emerged as a prominent framework for graph mining, leading to significant advances across various domains. Stemmed from the node-wise representations of GNNs, existing explanation studies have embraced the…

Machine Learning · Computer Science 2024-07-03 Yuwen Wang , Shunyu Liu , Tongya Zheng , Kaixuan Chen , Mingli Song

Data-driven surrogate modeling has surged in capability in recent years with the emergence of graph neural networks (GNNs), which can operate directly on mesh-based representations of data. The goal of this work is to introduce an…

Machine Learning · Computer Science 2024-10-25 Shivam Barwey , Hojin Kim , Romit Maulik

Graph Neural Networks (GNNs) are neural models that leverage the dependency structure in graphical data via message passing among the graph nodes. GNNs have emerged as pivotal architectures in analyzing graph-structured data, and their…

Machine Learning · Computer Science 2024-03-19 Xu Zheng , Farhad Shirani , Tianchun Wang , Wei Cheng , Zhuomin Chen , Haifeng Chen , Hua Wei , Dongsheng Luo

Machine Learning algorithms are increasingly being used in recent years due to their flexibility in model fitting and increased predictive performance. However, the complexity of the models makes them hard for the data analyst to interpret…

Machine Learning · Statistics 2018-06-07 Joel Vaughan , Agus Sudjianto , Erind Brahimi , Jie Chen , Vijayan N. Nair

Deep neural networks (DNNs) have proven to be highly effective in a variety of tasks, making them the go-to method for problems requiring high-level predictive power. Despite this success, the inner workings of DNNs are often not…

Machine Learning · Statistics 2024-03-04 Anton Thielmann , René-Marcel Kruse , Thomas Kneib , Benjamin Säfken

We employ adaptive activation functions for regression in deep and physics-informed neural networks (PINNs) to approximate smooth and discontinuous functions as well as solutions of linear and nonlinear partial differential equations. In…

Computational Physics · Physics 2020-01-29 Ameya D. Jagtap , George Em Karniadakis

While machine learning techniques have been successfully applied in several fields, the black-box nature of the models presents challenges for interpreting and explaining the results. We develop a new framework called Adaptive Explainable…

Machine Learning · Statistics 2020-06-03 Jie Chen , Joel Vaughan , Vijayan N. Nair , Agus Sudjianto

A variety of infinitely wide neural architectures (e.g., dense NNs, CNNs, and transformers) induce Gaussian process (GP) priors over their outputs. These relationships provide both an accurate characterization of the prior predictive…

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