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Related papers: Towards Reusable Surrogate Models: Graph-Based Tra…

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We propose GNN-Surrogate, a graph neural network-based surrogate model to explore the parameter space of ocean climate simulations. Parameter space exploration is important for domain scientists to understand the influence of input…

Atmospheric and Oceanic Physics · Physics 2022-02-23 Neng Shi , Jiayi Xu , Skylar W. Wurster , Hanqi Guo , Jonathan Woodring , Luke P. Van Roekel , Han-Wei Shen

Fatigue crack growth is one of the most common types of deterioration in metal structures with significant implications on their reliability. Recent advances in Structural Health Monitoring (SHM) have motivated the use of structural…

Machine Learning · Statistics 2023-10-12 Nicholas E. Silionis , Konstantinos N. Anyfantis

Graph neural networks, trained on experimental or calculated data are becoming an increasingly important tool in computational materials science. Networks, once trained, are able to make highly accurate predictions at a fraction of the cost…

Materials Science · Physics 2024-06-19 Johannes Allotey , Keith T. Butler , Jeyan Thiyagalingam

We demonstrate the adaption of three established methods to the field of surrogate machine learning model development. These methods are data augmentation, custom loss functions and transfer learning. Each of these methods have seen…

Machine Learning · Computer Science 2022-11-04 H. Rhys Jones , Tingting Mu , Andrei C. Popescu , Yusuf Sulehman

The data-centric construction of inexpensive surrogates for fine-grained, physical models has been at the forefront of computational physics due to its significant utility in many-query tasks such as uncertainty quantification. Recent…

Machine Learning · Statistics 2021-03-17 Maximilian Rixner , Phaedon-Stelios Koutsourelakis

In this paper, we present a surrogate-based multiscale approach to model constant strain-rate and creep experiments on unidirectional thermoplastic composites under off-axis loading. In previous contributions, these experiments were modeled…

Numerical Analysis · Mathematics 2025-01-20 M. A. Maia , I. B. C. M. Rocha , D. Kovačević , F. P. van der Meer

A surrogate model approximates the outputs of a solver of Partial Differential Equations (PDEs) with a low computational cost. In this article, we propose a method to build learning-based surrogates in the context of parameterized PDEs,…

Machine Learning · Computer Science 2024-06-28 Alejandro Ribés , Nawfal Benchekroun , Théo Delagnes

High-speed flight vehicles, which travel much faster than the speed of sound, are crucial for national defense and space exploration. However, accurately predicting their behavior under numerous, varied flight conditions is a challenge and…

Machine Learning · Computer Science 2024-11-07 Tyler E. Korenyi-Both , Nathan J. Falkiewicz , Matthew C. Jones

While complex simulations of physical systems have been widely used in engineering and scientific computing, lowering their often prohibitive computational requirements has only recently been tackled by deep learning approaches. In this…

Numerical Analysis · Mathematics 2023-10-26 Chuanbo Hua , Federico Berto , Michael Poli , Stefano Massaroli , Jinkyoo Park

Data-driven surrogate modeling has surged in capability in recent years with the emergence of graph neural networks (GNNs), which can operate directly on mesh-based representations of data. The goal of this work is to introduce an…

Machine Learning · Computer Science 2024-10-25 Shivam Barwey , Hojin Kim , Romit Maulik

Gaussian graphical models (GGMs) are widely used for statistical modeling, because of ease of inference and the ubiquitous use of the normal distribution in practical approximations. However, they are also known for their limited modeling…

Machine Learning · Statistics 2016-11-22 Qinliang Su , Xuejun Liao , Chunyuan Li , Zhe Gan , Lawrence Carin

Diffusion kernels over graphs have been widely utilized as effective tools in various applications due to their ability to accurately model the flow of information through nodes and edges. However, there is a notable gap in the literature…

Numerical Analysis · Mathematics 2026-04-15 Giuseppe Alessio D'Inverno , Kylian Ajavon , Simone Brugiapaglia

Graphical Transformation Models (GTMs) are introduced as a novel approach to effectively model multivariate data with intricate marginals and complex dependency structures semiparametrically, while maintaining interpretability through the…

Methodology · Statistics 2025-08-28 Matthias Herp , Johannes Brachem , Michael Altenbuchinger , Thomas Kneib

Machine learning-based surrogate models have emerged as more efficient alternatives to numerical solvers for physical simulations over complex geometries, such as car bodies. Many existing models incorporate the simulation mesh as an…

Machine Learning · Computer Science 2026-01-27 Jan Hagnberger , Mathias Niepert

Surrogate models are often used as computationally efficient approximations to complex simulation models, enabling tasks such as solving inverse problems, sensitivity analysis, and probabilistic forward predictions, which would otherwise be…

Machine Learning · Statistics 2026-05-13 Philipp Reiser , Paul-Christian Bürkner , Anneli Guthke

Surrogate models are used to reduce the burden of expensive-to-evaluate objective functions in optimization. By creating models which map genomes to objective values, these models can estimate the performance of unknown inputs, and so be…

Neural and Evolutionary Computing · Computer Science 2019-07-17 Alexander Hagg , Martin Zaefferer , Jörg Stork , Adam Gaier

In engineering design, surrogate models are widely employed to replace computationally expensive simulations by leveraging design variables and geometric parameters from computer-aided design (CAD) models. However, these models often lose…

Machine Learning · Computer Science 2024-06-05 Jangseop Park , Namwoo Kang

We introduce Graph Memory (GM), a structured non-parametric framework that represents an embedding space through a compact graph of reliability-annotated prototype regions. GM encodes local geometry and regional ambiguity through prototype…

Machine Learning · Computer Science 2026-03-27 Artur A. Oliveira , Mateus Espadoto , Roberto M. Cesar , Roberto Hirata

We introduce a scalable Gaussian process (GP) framework with deep product kernels for data-driven learning of parametrized spatio-temporal fields over fixed or parameter-dependent domains. The proposed framework learns a continuous…

Machine Learning · Computer Science 2026-03-03 Srinath Dama , Prasanth B. Nair

Surrogate models are widely used in mechanical design and manufacturing process optimization, where high-fidelity computational models may be unavailable or prohibitively expensive. Their effectiveness, however, is often limited by data…

Machine Learning · Computer Science 2026-03-03 Bingran Wang , Seongha Jeong , Sebastiaan P. C. van Schie , Dongyeon Han , Jaeho Min , John T. Hwang