Related papers: An FEA surrogate model with Boundary Oriented Grap…

The transition of the power grid requires new technologies and methodologies, which can only be developed and tested in simulations. Especially larger simulation setups with many levels of detail can become quite slow. Therefore, the number…

This article explores the integration of deep learning models into combinatorial optimization pipelines, specifically targeting NP-hard problems. Traditional exact algorithms for such problems often rely on heuristic criteria to guide the…

Graph Neural Networks (GNNs) have demonstrated impressive performance on task-specific benchmarks, yet their ability to generalize across diverse domains and tasks remains limited. Existing approaches often struggle with negative transfer,…

Graph neural networks (GNNs) continue to achieve state-of-the-art performance on many graph learning tasks, but rely on the assumption that a given graph is a sufficient approximation of the true neighborhood structure. When a system…

As machine learning becomes more widely adopted across domains, it is critical that researchers and ML engineers think about the inherent biases in the data that may be perpetuated by the model. Recently, many studies have shown that such…

Researchers constantly strive to explore larger and more complex search spaces in various scientific studies and physical experiments. However, such investigations often involve sophisticated simulators or time-consuming experiments that…

In the field of surrogate modeling, polynomial chaos expansion (PCE) allows practitioners to construct inexpensive yet accurate surrogates to be used in place of the expensive forward model simulations. For black-box simulations,…

Graph Neural Networks (GNNs) have been widely used for the representation learning of various structured graph data. While promising, most existing GNNs oversimplified the complexity and diversity of the edges in the graph, and thus…

Federated edge learning (FEEL) is envisioned as a promising paradigm to achieve privacy-preserving distributed learning. However, it consumes excessive learning time due to the existence of straggler devices. In this paper, a novel…

Financial fraud is always a major problem in the field of finance, as it can cause significant consequences. As a result, many approaches have been designed to detect it, and lately Graph Neural Networks (GNNs) have been demonstrated as a…

Graph Neural Networks (GNNs) have recently been explored as surrogate models for numerical simulations. While their applications in computational fluid dynamics have been investigated, little attention has been given to structural problems,…

Recently, techniques for applying convolutional neural networks to graph-structured data have emerged. Graph convolutional neural networks (GCNNs) have been used to address node and graph classification and matrix completion. Although the…

High-fidelity numerical simulations of partial differential equations (PDEs) given a restricted computational budget can significantly limit the number of parameter configurations considered and/or time window evaluated for modeling a given…

Graph similarity search is among the most important graph-based applications, e.g. finding the chemical compounds that are most similar to a query compound. Graph similarity computation, such as Graph Edit Distance (GED) and Maximum Common…

We propose a graph semi-supervised learning framework for classification tasks on data manifolds. Motivated by the manifold hypothesis, we model data as points sampled from a low-dimensional manifold $\mathcal{M} \subset \mathbb{R}^F$. The…

Efficient real-time solvers for forward and inverse problems are essential in engineering and science applications. Machine learning surrogate models have emerged as promising alternatives to traditional methods, offering substantially…

This paper deals with surrogate modelling of a computer code output in a hierarchical multi-fidelity context, i.e., when the output can be evaluated at different levels of accuracy and computational cost. Using observations of the output at…

Message Passing Neural Networks (MPNNs) model local relations effectively but struggle to propagate information over long distances. Graph Transformers (GTs) mitigate this via global self-attention, yet their quadratic cost in the number of…

In the design optimization of metal forming, it is increasingly significant to use surrogate models to analyse the finite element analysis (FEA) simulations. However, traditional surrogate models using scalar based machine learning methods…

Graph neural networks (GNNs) have shown advantages in graph-based analysis tasks. However, most existing methods have the homogeneity assumption and show poor performance on heterophilic graphs, where the linked nodes have dissimilar…