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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

Data-driven approaches recently achieved remarkable success in magnetic resonance imaging (MRI) reconstruction, but integration into clinical routine remains challenging due to a lack of generalizability and interpretability. In this paper,…

Image and Video Processing · Electrical Eng. & Systems 2023-10-20 Martin Zach , Florian Knoll , Thomas Pock

Machine learning frameworks such as graph neural networks typically rely on a given, fixed graph to exploit relational inductive biases and thus effectively learn from network data. However, when said graphs are (partially) unobserved,…

Machine Learning · Computer Science 2022-05-20 Max Wasserman , Saurabh Sihag , Gonzalo Mateos , Alejandro Ribeiro

Most Graph Neural Networks (GNNs) predict the labels of unseen graphs by learning the correlation between the input graphs and labels. However, by presenting a graph classification investigation on the training graphs with severe bias,…

Machine Learning · Computer Science 2022-09-29 Shaohua Fan , Xiao Wang , Yanhu Mo , Chuan Shi , Jian Tang

Plug-and-Play (PnP) algorithms are a class of iterative algorithms that address image inverse problems by combining a physical model and a deep neural network for regularization. Even if they produce impressive image restoration results,…

Image and Video Processing · Electrical Eng. & Systems 2025-06-12 Marien Renaud , Jean Prost , Arthur Leclaire , Nicolas Papadakis

When facing graph signal processing tasks, the workhorse assumption is that the graph describing the support of the signals is known. However, in many relevant applications the available graph suffers from observation errors and…

Signal Processing · Electrical Eng. & Systems 2024-12-03 Samuel Rey , Victor M. Tenorio , Antonio G. Marques

Graph Neural Networks (GNNs) have demonstrated superior performance in learning node representations for various graph inference tasks. However, learning over graph data can raise privacy concerns when nodes represent people or…

Machine Learning · Computer Science 2021-07-08 Sina Sajadmanesh , Daniel Gatica-Perez

While convolutional neural nets (CNNs) have achieved remarkable performance for a wide range of inverse imaging applications, the filter coefficients are computed in a purely data-driven manner and are not explainable. Inspired by an…

Image and Video Processing · Electrical Eng. & Systems 2020-02-18 Weng-tai Su , Gene Cheung , Richard Wildes , Chia-Wen Lin

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

A key component of many graph neural networks (GNNs) is the pooling operation, which seeks to reduce the size of a graph while preserving important structural information. However, most existing graph pooling strategies rely on an…

Machine Learning · Computer Science 2023-10-17 Mahsa Mesgaran , A. Ben Hamza

While deep convolutional architectures have achieved remarkable results in a gamut of supervised applications dealing with images and speech, recent works show that deep untrained non-convolutional architectures can also outperform…

Signal Processing · Electrical Eng. & Systems 2020-03-13 Samuel Rey , Antonio G. Marques , Santiago Segarra

Given partial measurements of a time-varying graph signal, we propose an algorithm to simultaneously estimate both the underlying graph topology and the missing measurements. The proposed algorithm operates by training an interpretable…

Signal Processing · Electrical Eng. & Systems 2024-07-17 Subbareddy Batreddy , Pushkal Mishra , Yaswanth Kakarla , Aditya Siripuram

Graph neural networks (GNNs) hold the promise of learning efficient representations of graph-structured data, and one of its most important applications is semi-supervised node classification. However, in this application, GNN frameworks…

Machine Learning · Computer Science 2023-05-04 Jiaqi Sun , Lin Zhang , Shenglin Zhao , Yujiu Yang

This study explores the combination of automated machine learning (AutoML) with model-based deep unfolding (DU) for optimizing wireless beamforming and waveforms. We convert the iterative proximal gradient descent (PGD) algorithm into a…

Machine Learning · Computer Science 2026-04-23 Ahmet Kaplan

Massive deployment of Graph Neural Networks (GNNs) in high-stake applications generates a strong demand for explanations that are robust to noise and align well with human intuition. Most existing methods generate explanations by…

Machine Learning · Computer Science 2022-07-14 Mohit Bajaj , Lingyang Chu , Zi Yu Xue , Jian Pei , Lanjun Wang , Peter Cho-Ho Lam , Yong Zhang

We consider the explanation problem of Graph Neural Networks (GNNs). Most existing GNN explanation methods identify the most important edges or nodes but fail to consider substructures, which are more important for graph data. The only…

Machine Learning · Computer Science 2023-02-28 Zhaoning Yu , Hongyang Gao

Electron ptychography enables dose-efficient atomic-resolution imaging, but conventional reconstruction algorithms suffer from noise sensitivity, slow convergence, and extensive manual hyperparameter tuning for regularization, especially in…

Image and Video Processing · Electrical Eng. & Systems 2025-11-12 Arthur R. C. McCray , Stephanie M. Ribet , Georgios Varnavides , Colin Ophus

Graph representation learning, aiming to learn low-dimensional representations which capture the geometric dependencies between nodes in the original graph, has gained increasing popularity in a variety of graph analysis tasks, including…

Machine Learning · Computer Science 2019-10-07 Lu Wang , Wenchao Yu , Wei Wang , Wei Cheng , Wei Zhang , Hongyuan Zha , Xiaofeng He , Haifeng Chen

Generalized planning using deep reinforcement learning (RL) combined with graph neural networks (GNNs) has shown promising results in various symbolic planning domains described by PDDL. However, existing approaches typically represent…

Artificial Intelligence · Computer Science 2025-11-11 Sangwoo Jeon , Juchul Shin , Gyeong-Tae Kim , YeonJe Cho , Seongwoo Kim

Advancing research in the emerging field of deep graph learning requires new tools to support tensor computation over graphs. In this paper, we present the design principles and implementation of Deep Graph Library (DGL). DGL distills the…