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Graph neural networks (GNNs) have achieved great success in various graph problems. However, most GNNs are Message Passing Neural Networks (MPNNs) based on the homophily assumption, where nodes with the same label are connected in graphs.…

Machine Learning · Computer Science 2022-10-18 Junjie Xu , Enyan Dai , Xiang Zhang , Suhang Wang

Recently, graph neural networks (GNNs) have proved to be suitable in tasks on unstructured data. Particularly in tasks as community detection, node classification, and link prediction. However, most GNN models still operate with static…

Machine Learning · Computer Science 2019-06-07 Darwin Saire Pilco , Adín Ramírez Rivera

Monotonic neural networks have recently been proposed as a way to define invertible transformations. These transformations can be combined into powerful autoregressive flows that have been shown to be universal approximators of continuous…

Machine Learning · Computer Science 2021-04-01 Antoine Wehenkel , Gilles Louppe

Using unitary (instead of general) matrices in artificial neural networks (ANNs) is a promising way to solve the gradient explosion/vanishing problem, as well as to enable ANNs to learn long-term correlations in the data. This approach…

Machine Learning · Computer Science 2017-04-04 Li Jing , Yichen Shen , Tena Dubček , John Peurifoy , Scott Skirlo , Yann LeCun , Max Tegmark , Marin Soljačić

Imitation learning considerably simplifies policy synthesis compared to alternative approaches by exploiting access to expert demonstrations. For such imitation policies, errors away from the training samples are particularly critical. Even…

Machine Learning · Computer Science 2024-03-19 Kaustubh Sridhar , Souradeep Dutta , Dinesh Jayaraman , James Weimer , Insup Lee

Neural Networks (NNs) are the method of choice for building learning algorithms. Their popularity stems from their empirical success on several challenging learning problems. However, most scholars agree that a convincing theoretical…

Numerical Analysis · Mathematics 2021-01-01 Ronald DeVore , Boris Hanin , Guergana Petrova

In this paper, we design Graph Neural Networks (GNNs) with attention mechanisms to tackle an important yet challenging nonlinear regression problem: massive network localization. We first review our previous network localization method…

Machine Learning · Computer Science 2025-04-08 Wenzhong Yan , Feng Yin , Juntao Wang , Geert Leus , Abdelhak M. Zoubir , Yang Tian

Randomized neural networks (NNs) are an interesting alternative to conventional NNs that are more used for data modeling. The random vector functional-link (RVFL) network is an established and theoretically well-grounded randomized learning…

Computation · Statistics 2018-04-24 Hien D. Nguyen , Dianhui Wang , Geoffrey J. McLachlan

Federated Learning (FL) addresses the need to create models based on proprietary data in such a way that multiple clients retain exclusive control over their data, while all benefit from improved model accuracy due to pooled resources.…

Machine Learning · Computer Science 2024-10-23 Urszula Chajewska , Harsh Shrivastava

Conventional federated learning (FL) frameworks often suffer from training degradation due to data uncertainty and heterogeneity across local clients. Probabilistic approaches such as Bayesian neural networks (BNNs) can mitigate this issue…

Machine Learning · Computer Science 2026-03-20 Ratun Rahman , Dinh C. Nguyen

We explore unique considerations involved in fitting ML models to data with very high precision, as is often required for science applications. We empirically compare various function approximation methods and study how they scale with…

Machine Learning · Computer Science 2023-02-01 Eric J. Michaud , Ziming Liu , Max Tegmark

Graph Neural Networks (GNNs) have demonstrated remarkable success in various applications, yet they often struggle to capture long-range dependencies (LRD) effectively. This paper introduces GraphMinNet, a novel GNN architecture that…

Machine Learning · Computer Science 2025-02-04 Md Atik Ahamed , Andrew Cheng , Qiang Ye , Qiang Cheng

The usage of convolutional neural networks (CNNs) for unsupervised image segmentation was investigated in this study. In the proposed approach, label prediction and network parameter learning are alternately iterated to meet the following…

Computer Vision and Pattern Recognition · Computer Science 2020-08-26 Wonjik Kim , Asako Kanezaki , Masayuki Tanaka

Modern machine learning workloads use large models, with complex structures, that are very expensive to execute. The devices that execute complex models are becoming increasingly heterogeneous as we see a flourishing of domain-specific…

Machine Learning · Computer Science 2020-11-02 Jakub Tarnawski , Amar Phanishayee , Nikhil R. Devanur , Divya Mahajan , Fanny Nina Paravecino

In this paper, we explore the graph partitioning problem, a pivotal combina-torial optimization challenge with extensive applications in various fields such as science, technology, and business. Recognized as an NP-hard prob-lem, graph…

Machine Learning · Computer Science 2023-12-13 Vivek Chaudhary

Graph-based neural networks and, specifically, message-passing neural networks (MPNNs) have shown great potential in predicting physical properties of solids. In this work, we train an MPNN to first classify materials through density…

Computational Physics · Physics 2023-09-13 Tim Bechtel , Daniel T. Speckhard , Jonathan Godwin , Claudia Draxl

In this work, we propose a balanced multi-component and multi-layer neural network (MMNN) structure to accurately and efficiently approximate functions with complex features, in terms of both degrees of freedom and computational cost. The…

Machine Learning · Computer Science 2025-07-17 Shijun Zhang , Hongkai Zhao , Yimin Zhong , Haomin Zhou

A challenging problem in many modern machine learning tasks is to process weight-space features, i.e., to transform or extract information from the weights and gradients of a neural network. Recent works have developed promising…

Machine Learning · Computer Science 2024-02-09 Allan Zhou , Chelsea Finn , James Harrison

Neural networks are powerful function estimators, leading to their status as a paradigm of choice for modeling structured data. However, unlike other structured representations that emphasize the modularity of the problem -- e.g., factor…

Machine Learning · Computer Science 2022-06-20 Tsvetomila Mihaylova , Vlad Niculae , André F. T. Martins

Machine-learning architectures, such as Convolutional Neural Networks (CNNs) are vulnerable to adversarial attacks: inputs crafted carefully to force the system output to a wrong label. Since machine-learning is being deployed in…

Cryptography and Security · Computer Science 2022-11-03 Amira Guesmi , Ihsen Alouani , Khaled N. Khasawneh , Mouna Baklouti , Tarek Frikha , Mohamed Abid , Nael Abu-Ghazaleh