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Graph neural networks (GNNs) naturally align with sparse operators and unstructured discretizations, making them a promising paradigm for physics-informed machine learning in computational mechanics. Motivated by discrete physics losses and…

Surrogate models based on machine learning methods have become an important part of modern engineering to replace costly computer simulations. The data used for creating a surrogate model are essential for the model accuracy and often…

Relational data mining is becoming ubiquitous in many fields of study. It offers insights into behaviour of complex, real-world systems which cannot be modeled directly using propositional learning. We propose Symbolic Graph Embedding…

In this paper, we propose the Graph Temporal Edge Aggregation (GTEA) framework for inductive learning on Temporal Interaction Graphs (TIGs). Different from previous works, GTEA models the temporal dynamics of interaction sequences in the…

The integration of multi-omics single-cell data remains challenging due to high-dimensionality and complex inter-modality relationships. To address this, we introduce MoRE-GNN (Multi-omics Relational Edge Graph Neural Network), a…

Graph convolutional neural networks (GCNN) have numerous applications in different graph based learning tasks. Although the techniques obtain impressive results, they often fall short in accounting for the uncertainty associated with the…

Graph matching can be formalized as a combinatorial optimization problem, where there are corresponding relationships between pairs of nodes that can be represented as edges. This problem becomes challenging when there are potential…

Cantilevered elastic foils can undergo self-induced, large-amplitude flapping when subject to fluid flow, a widely observed phenomenon of fluid-structure interaction, from fluttering leaves or the movement of fish fins. When harnessed in…

With the increasing computational costs associated with deep learning, automated hyperparameter optimization methods, strongly relying on black-box Bayesian optimization (BO), face limitations. Freeze-thaw BO offers a promising grey-box…

Generating simulated training data needed for constructing sufficiently accurate surrogate models to be used for efficient optimization or parameter identification can incur a huge computational effort in the offline phase. We consider a…

Continuous-depth graph neural networks, also known as Graph Neural Differential Equations (GNDEs), combine the structural inductive bias of Graph Neural Networks (GNNs) with the continuous-depth architecture of Neural ODEs, offering a…

Finite element analysis (FEA) forms the cornerstone of modeling cardiac biomechanics but is computationally expensive, limiting its clinical application for digital twin creation, which often requires tens to hundreds of simulations to…

Graph neural networks (GNNs) have emerged as a powerful framework for a wide range of node-level graph learning tasks. However, their performance typically depends on random or minimally informed initial feature representations, where poor…

We introduce the framework of continuous--depth graph neural networks (GNNs). Graph neural ordinary differential equations (GDEs) are formalized as the counterpart to GNNs where the input-output relationship is determined by a continuum of…

This work introduces a new approach for accelerating the numerical analysis of time-domain partial differential equations (PDEs) governing complex physical systems. The methodology is based on a combination of a classical reduced-order…

Graph Neural Networks (GNNs) have shown promising results in various tasks, among which link prediction is an important one. GNN models usually follow a node-centric message passing procedure that aggregates the neighborhood information to…

The morphology of nanostructured materials exhibiting a polydisperse porous space, such as aerogels, is very open porous and fine grained. Therefore, a simulation of the deformation of a large aerogel structure resolving the nanostructure…

Electromagnetic (EM) body models designed to predict Radio-Frequency (RF) propagation are time-consuming methods which prevent their adoption in strict real-time computational imaging problems, such as human body localization and sensing.…

We present a framework for learning Node Embeddings from Static Subgraphs (NESS) using a graph autoencoder (GAE) in a transductive setting. NESS is based on two key ideas: i) Partitioning the training graph to multiple static, sparse…

We introduce a novel hybrid methodology combining classical finite element methods (FEM) with neural networks to create a well-performing and generalizable surrogate model for forward and inverse problems. The residual from finite element…