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Many machine learning techniques have been proposed in the last few years to process data represented in graph-structured form. Graphs can be used to model several scenarios, from molecules and materials to RNA secondary structures. Several…

Machine Learning · Computer Science 2018-11-19 Nicolò Navarin , Dinh V. Tran , Alessandro Sperduti

Many combinatorial optimization problems can be phrased in the language of constraint satisfaction problems. We introduce a graph neural network architecture for solving such optimization problems. The architecture is generic; it works for…

Artificial Intelligence · Computer Science 2020-02-12 Jan Toenshoff , Martin Ritzert , Hinrikus Wolf , Martin Grohe

The Reservoir Computing (RC) paradigm posits that sufficiently complex physical systems can be used to massively simplify pattern recognition tasks and nonlinear signal prediction. This work demonstrates how random topological magnetic…

Mesoscale and Nanoscale Physics · Physics 2020-11-18 Daniele Pinna , George Bourianoff , Karin Everschor-Sitte

We explore the use of graph neural networks (GNNs) to model spatial processes in which there is no a priori graphical structure. Similar to finite element analysis, we assign nodes of a GNN to spatial locations and use a computational…

Machine Learning · Computer Science 2019-11-19 Ferran Alet , Adarsh K. Jeewajee , Maria Bauza , Alberto Rodriguez , Tomas Lozano-Perez , Leslie Pack Kaelbling

Forecasting high-dimensional spatiotemporal systems remains computationally challenging for recurrent neural networks (RNNs) and long short-term memory (LSTM) models due to gradient-based training and memory bottlenecks. Reservoir Computing…

Machine Learning · Computer Science 2026-01-05 Ata Akbari Asanjan , Filip Wudarski , Daniel O'Connor , Shaun Geaney , Elena Strbac , P. Aaron Lott , Davide Venturelli

Training graph neural networks on large datasets has long been a challenge. Traditional approaches include efficiently representing the whole graph in-memory, designing parameter efficient and sampling-based models, and graph partitioning…

Machine Learning · Computer Science 2024-11-19 Dmytro Lopushanskyy , Borun Shi

Reservoir Computing (RC) models, a subclass of recurrent neural networks, are distinguished by their fixed, non-trainable input layer and dynamically coupled reservoir, with only the static readout layer being trained. This design…

Machine Learning · Computer Science 2024-08-16 Robert Simon Fong , Boyu Li , Peter Tiňo

We examine the efficiency of Recurrent Neural Networks in forecasting the spatiotemporal dynamics of high dimensional and reduced order complex systems using Reservoir Computing (RC) and Backpropagation through time (BPTT) for gated network…

Signal Processing · Electrical Eng. & Systems 2020-02-19 Pantelis R. Vlachas , Jaideep Pathak , Brian R. Hunt , Themistoklis P. Sapsis , Michelle Girvan , Edward Ott , Petros Koumoutsakos

We explore the feasibility of combining Graph Neural Network-based policy architectures with Deep Reinforcement Learning as an approach to problems in systems. This fits particularly well with operations on networks, which naturally take…

Machine Learning · Computer Science 2021-12-02 Oliver Hope , Eiko Yoneki

The era of data deluge has sparked the interest in graph-based learning methods in a number of disciplines such as sociology, biology, neuroscience, or engineering. In this paper, we introduce a graph recurrent neural network (GRNN) for…

Machine Learning · Computer Science 2019-02-19 Vassilis N. Ioannidis , Antonio G. Marques , Georgios B. Giannakis

Reservoir simulations are computationally expensive in the well control and well placement optimization. Generally, numerous simulation runs (realizations) are needed in order to achieve the optimal well locations. In this paper, we propose…

Machine Learning · Computer Science 2022-03-23 Haoyu Tang , Wennan Long

Over the recent years, Graph Neural Networks have become increasingly popular in network analytic and beyond. With that, their architecture noticeable diverges from the classical multi-layered hierarchical organization of the traditional…

Machine Learning · Computer Science 2021-05-17 Stanislav Sobolevsky

Graph Neural Networks (GNNs) have emerged as a powerful and flexible framework for representation learning on irregular data. As they generalize the operations of classical CNNs on grids to arbitrary topologies, GNNs also bring much of the…

Machine Learning · Computer Science 2021-03-31 Mehdi Bahri , Gaétan Bahl , Stefanos Zafeiriou

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

Graph Neural Networks (GNNs) have emerged as a flexible and powerful approach for learning over graphs. Despite this success, existing GNNs are constrained by their local message-passing architecture and are provably limited in their…

Machine Learning · Computer Science 2021-10-29 Rajat Talak , Siyi Hu , Lisa Peng , Luca Carlone

Seeking effective neural networks is a critical and practical field in deep learning. Besides designing the depth, type of convolution, normalization, and nonlinearities, the topological connectivity of neural networks is also important.…

Computer Vision and Pattern Recognition · Computer Science 2020-08-20 Kun Yuan , Quanquan Li , Jing Shao , Junjie Yan

Recurrent neural network (RNN) based reinforcement learning (RL) is used for learning context-dependent tasks and has also attracted attention as a method with remarkable learning performance in recent research. However, RNN-based RL has…

Machine Learning · Computer Science 2022-03-04 Toshitaka Matsuki

Lots of learning tasks require dealing with graph data which contains rich relation information among elements. Modeling physics systems, learning molecular fingerprints, predicting protein interface, and classifying diseases demand a model…

Machine Learning · Computer Science 2021-10-07 Jie Zhou , Ganqu Cui , Shengding Hu , Zhengyan Zhang , Cheng Yang , Zhiyuan Liu , Lifeng Wang , Changcheng Li , Maosong Sun

We introduce an architecture based on deep hierarchical decompositions to learn effective representations of large graphs. Our framework extends classic R-decompositions used in kernel methods, enabling nested part-of-part relations. Unlike…

Machine Learning · Computer Science 2024-03-19 Francesco Orsini , Daniele Baracchi , Paolo Frasconi

Graph neural networks (GNNs) have emerged as a powerful tool for graph classification and representation learning. However, GNNs tend to suffer from over-smoothing problems and are vulnerable to graph perturbations. To address these…

Machine Learning · Computer Science 2021-11-01 Yuzhou Chen , Baris Coskunuzer , Yulia R. Gel
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