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Graph neural networks (GNNs) are widely used in domains like social networks and biological systems. However, the locality assumption of GNNs, which limits information exchange to neighboring nodes, hampers their ability to capture…
Graph Neural Networks (GNNs) are a powerful representational tool for solving problems on graph-structured inputs. In almost all cases so far, however, they have been applied to directly recovering a final solution from raw inputs, without…
Accurately, efficiently, and stably computing complex fluid flows and their evolution near solid boundaries over long horizons remains challenging. Conventional numerical solvers require fine grids and small time steps to resolve near-wall…
Graph Neural Networks (GNNs) have excelled in predicting graph properties in various applications ranging from identifying trends in social networks to drug discovery and malware detection. With the abundance of new architectures and…
Peridynamics is a non-local continuum mechanics theory that offers unique advantages for modeling problems involving discontinuities and complex deformations. Within the peridynamic framework, various formulations exist, among which the…
Graph Neural Networks (GNNs) have emerged as a cornerstone of deep learning, with most existing methods rooted in graph signal processing and diffusion equations to model message passing. However, these approaches inherently suffer from the…
Graph neural networks (GNNs) are the dominant approach to solving machine learning problems defined over graphs. Despite much theoretical and empirical work in recent years, our understanding of finer-grained aspects of architectural design…
Graph Transformer (GT), as a special type of Graph Neural Networks (GNNs), utilizes multi-head attention to facilitate high-order message passing. However, this also imposes several limitations in node classification applications: 1) nodes…
Neural surrogate solvers can estimate solutions to partial differential equations in physical problems more efficiently than standard numerical methods, but require extensive high-resolution training data. In this paper, we break this…
Hypergraphs are a generalized data structure of graphs to model higher-order correlations among entities, which have been successfully adopted into various research domains. Meanwhile, HyperGraph Neural Network (HGNN) is currently the…
We introduce the framework of continuous-depth graph neural networks (GNNs). Neural graph differential equations (Neural GDEs) are formalized as the counterpart to GNNs where the input-output relationship is determined by a continuum of GNN…
Graph convolutional networks (GCNs) have been widely used for representation learning on graph data, which can capture structural patterns on a graph via specifically designed convolution and readout operations. In many graph classification…
Surrogate strategies are used widely for uncertainty quantification of groundwater models in order to improve computational efficiency. However, their application to dynamic multiphase flow problems is hindered by the curse of…
Neural networks have proven to be efficient surrogate models for tackling partial differential equations (PDEs). However, their applicability is often confined to specific PDEs under certain constraints, in contrast to classical PDE solvers…
Graph Neural Networks (GNN) can capture the geometric properties of neural representations in EEG data. Here we utilise those to study how reinforcement-based motor learning affects neural activity patterns during motor planning, leveraging…
This paper presents a novel graph-based deep learning model for tasks involving relations between two nodes (edge-centric tasks), where the focus lies on predicting relationships and interactions between pairs of nodes rather than node…
Neural forecasting of spatiotemporal time series drives both research and industrial innovation in several relevant application domains. Graph neural networks (GNNs) are often the core component of the forecasting architecture. However, in…
Recent research has shown that alignment between the structure of graph data and the geometry of an embedding space is crucial for learning high-quality representations of the data. The uniform geometry of Euclidean and hyperbolic spaces…
Although Finite Element Analysis (FEA) is an integral part of the product design lifecycle, the analysis is computationally expensive, making it unsuitable for many design optimization problems. The deep learning models can be a great…
The successful integration of machine learning models into decision support tools for grid operation hinges on effectively capturing the topological changes in daily operations. Frequent grid reconfigurations and N-k security analyses have…