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We analyse the power of graph neural networks (GNNs) in terms of Boolean circuit complexity and descriptive complexity. We prove that the graph queries that can be computed by a polynomial-size bounded-depth family of GNNs are exactly those…

Logic in Computer Science · Computer Science 2024-12-11 Martin Grohe

Complex functional brain networks are large networks of brain regions and functional brain connections. Statistical characterizations of these networks aim to quantify global and local properties of brain activity with a small number of…

Neurons and Cognition · Quantitative Biology 2011-07-19 Mikail Rubinov , Olaf Sporns

We introduce a new class of non-linear models for functional data based on neural networks. Deep learning has been very successful in non-linear modeling, but there has been little work done in the functional data setting. We propose two…

Machine Learning · Computer Science 2023-05-11 Aniruddha Rajendra Rao , Matthew Reimherr

We introduce a unified theoretical framework for the rigorous analysis and systematic construction of deep neural networks (DNNs). This framework addresses a gap in existing theory by explicitly modeling the structure of tensor operations…

This study proposes a hybrid deep-learning-metaheuristic framework with a bi-level architecture for road network design problems (NDPs). We train a graph neural network (GNN) to approximate the solution of the user equilibrium (UE) traffic…

Neural and Evolutionary Computing · Computer Science 2023-12-12 Bahman Madadi , Goncalo Homem de Almeida Correia

Complete verification of deep neural networks (DNNs) can exactly determine whether the DNN satisfies a desired trustworthy property (e.g., robustness, fairness) on an infinite set of inputs or not. Despite the tremendous progress to improve…

Machine Learning · Computer Science 2023-06-13 Shubham Ugare , Debangshu Banerjee , Sasa Misailovic , Gagandeep Singh

Recent studies reveal the connection between GNNs and the diffusion process, which motivates many diffusion-based GNNs to be proposed. However, since these two mechanisms are closely related, one fundamental question naturally arises: Is…

Social and Information Networks · Computer Science 2024-04-23 Yibo Li , Xiao Wang , Hongrui Liu , Chuan Shi

Quantifying uncertainty in a model's predictions is important as it enables the safety of an AI system to be increased by acting on the model's output in an informed manner. This is crucial for applications where the cost of an error is…

Computer Vision and Pattern Recognition · Computer Science 2021-05-31 Aria Khoshsirat

In this work, we study the training and generalization performance of two-layer neural networks (NNs) after one gradient descent step under structured data modeled by Gaussian mixtures. While previous research has extensively analyzed this…

Machine Learning · Statistics 2025-05-20 Samet Demir , Zafer Dogan

Deep Neural Networks (DNNs) have performed admirably in classification tasks. However, the characterization of their classification uncertainties, required for certain applications, has been lacking. In this work, we investigate the issue…

Machine Learning · Computer Science 2023-11-28 Yu Pan , Kwo-Sen Kuo , Michael L. Rilee , Hongfeng Yu

Due to the significant computational challenge of training large-scale graph neural networks (GNNs), various sparse learning techniques have been exploited to reduce memory and storage costs. Examples include \textit{graph sparsification}…

Machine Learning · Computer Science 2023-02-07 Shuai Zhang , Meng Wang , Pin-Yu Chen , Sijia Liu , Songtao Lu , Miao Liu

Deep convolutional neural networks (CNNs) have been shown to be able to fit a random labeling over data while still being able to generalize well for normal labels. Describing CNN capacity through a posteriori measures of complexity has…

Machine Learning · Computer Science 2020-03-10 Konstantinos Pitas , Andreas Loukas , Mike Davies , Pierre Vandergheynst

Efficient model selection for identifying a suitable pre-trained neural network to a downstream task is a fundamental yet challenging task in deep learning. Current practice requires expensive computational costs in model training for…

Machine Learning · Computer Science 2022-01-19 Chunheng Jiang , Tejaswini Pedapati , Pin-Yu Chen , Yizhou Sun , Jianxi Gao

Existing methods for estimating uncertainty in deep learning tend to require multiple forward passes, making them unsuitable for applications where computational resources are limited. To solve this, we perform probabilistic reasoning over…

Machine Learning · Statistics 2020-12-08 Javier Antorán , James Urquhart Allingham , José Miguel Hernández-Lobato

Graph neural networks have emerged as a promising approach for the analysis of non-Euclidean data such as meshes. In medical imaging, mesh-like data plays an important role for modelling anatomical structures, and shape classification can…

Computer Vision and Pattern Recognition · Computer Science 2022-11-01 Nairouz Shehata , Wulfie Bain , Ben Glocker

The network density matrix formalism allows for describing the dynamics of information on top of complex structures and it has been successfully used to analyze from system's robustness to perturbations to coarse graining multilayer…

Physics and Society · Physics 2023-05-03 Arsham Ghavasieh , Manlio De Domenico

Deep neural networks (DNNs) have become integral to a wide range of scientific and practical applications due to their flexibility and strong predictive performance. Despite their accuracy, however, DNNs frequently exhibit poor calibration,…

Machine Learning · Computer Science 2026-03-12 Sanne Ruijs , Alina Kosiakova , Farrukh Javed

The paper proposes a new testing approach for Deep Neural Networks (DNN) using gradient-free optimization to find perturbation chains that successfully falsify the tested DNN, going beyond existing grid-based or combinatorial testing.…

Computer Vision and Pattern Recognition · Computer Science 2024-08-05 Clemens Otte , Yinchong Yang , Danny Benlin Oswan

While neural networks have been remarkably successful in a wide array of applications, implementing them in resource-constrained hardware remains an area of intense research. By replacing the weights of a neural network with quantized…

Machine Learning · Computer Science 2023-01-18 Jinjie Zhang , Yixuan Zhou , Rayan Saab

Gradient information is widely useful and available in applications, and is therefore natural to include in the training of neural networks. Yet little is known theoretically about the impact of Sobolev training -- regression with both…

Machine Learning · Statistics 2025-11-06 Katharine E Fisher , Matthew TC Li , Youssef Marzouk , Timo Schorlepp