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Surrogate Neural Networks are nowadays routinely used in industry as substitutes for computationally demanding engineering simulations (e.g., in structural analysis). They allow to generate faster predictions and thus analyses in industrial…

Recognizing precise geometrical configurations of groups of objects is a key capability of human spatial cognition, yet little studied in the deep learning literature so far. In particular, a fundamental problem is how a machine can learn…

Machine Learning · Computer Science 2020-07-20 Laetitia Teodorescu , Katja Hofmann , Pierre-Yves Oudeyer

Graph neural networks (GNNs) are widely used as surrogates for costly experiments and first-principles simulations to study the behavior of compounds at atomistic scale, and their architectural complexity is constantly increasing to enable…

Machine Learning · Computer Science 2026-05-04 Arindam Chowdhury , Massimiliano Lupo Pasini

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

Geometric graphs are a special kind of graph with geometric features, which are vital to model many scientific problems. Unlike generic graphs, geometric graphs often exhibit physical symmetries of translations, rotations, and reflections,…

Exploring ensemble simulations is increasingly important across many scientific domains. However, supporting flexible post-hoc exploration remains challenging due to the trade-off between storing the expensive raw data and flexibly…

Graphics · Computer Science 2026-04-09 Ziwei Li , Rumali Perera , Angus Forbes , Ken Moreland , Dave Pugmire , Scott Klasky , Wei-Lun Chao , Han-Wei Shen

Robotic grasping of 3D deformable objects is critical for real-world applications such as food handling and robotic surgery. Unlike rigid and articulated objects, 3D deformable objects have infinite degrees of freedom. Fully defining their…

Robotics · Computer Science 2023-03-29 Isabella Huang , Yashraj Narang , Ruzena Bajcsy , Fabio Ramos , Tucker Hermans , Dieter Fox

We provide a novel new approach for aligning geometric models using a dual graph structure where local features are mapping probabilities. Alignment of non-rigid structures is one of the most challenging computer vision tasks due to the…

Computer Vision and Pattern Recognition · Computer Science 2021-12-15 Dvir Ginzburg , Dan Raviv

Machine learning (ML) and deep learning (DL) techniques have gained significant attention as reduced order models (ROMs) to computationally expensive structural analysis methods, such as finite element analysis (FEA). Graph neural network…

Machine Learning · Computer Science 2023-09-25 Yuecheng Cai , Jasmin Jelovica

Automatic surgical gesture recognition is fundamentally important to enable intelligent cognitive assistance in robotic surgery. With recent advancement in robot-assisted minimally invasive surgery, rich information including surgical…

Computer Vision and Pattern Recognition · Computer Science 2021-06-30 Yonghao Long , Jie Ying Wu , Bo Lu , Yueming Jin , Mathias Unberath , Yun-Hui Liu , Pheng Ann Heng , Qi Dou

The heterogeneity of breast cancer presents considerable challenges for its early detection, prognosis, and treatment selection. Convolutional neural networks often neglect the spatial relationships within histopathological images, which…

Computer Vision and Pattern Recognition · Computer Science 2023-07-18 Akhila Krishna K , Ravi Kant Gupta , Nikhil Cherian Kurian , Pranav Jeevan , Amit Sethi

Graph neural networks (GNN) are powerful models for many graph-structured tasks. Existing models often assume that the complete structure of the graph is available during training. In practice, however, graph-structured data is usually…

Machine Learning · Computer Science 2022-03-29 Chen Wang , Yuheng Qiu , Dasong Gao , Sebastian Scherer

A popular testbed for deep learning has been multimodal recognition of human activity or gesture involving diverse inputs such as video, audio, skeletal pose and depth images. Deep learning architectures have excelled on such problems due…

Neural and Evolutionary Computing · Computer Science 2017-07-05 Dhanesh Ramachandram , Michal Lisicki , Timothy J. Shields , Mohamed R. Amer , Graham W. Taylor

Graph neural networks have emerged as a promising approach for the analysis of non-Euclidean data such as meshes. In medical imaging, mesh-like data plays an important role for modelling anatomical structures, and shape classification can…

Computer Vision and Pattern Recognition · Computer Science 2022-11-01 Nairouz Shehata , Wulfie Bain , Ben Glocker

Accurate, interpretable, and real-time modeling of multi-body dynamical systems is essential for predicting behaviors and inferring physical properties in natural and engineered environments. Traditional physics-based models face…

Machine Learning · Computer Science 2025-09-24 Vinay Sharma , Olga Fink

Graph neural networks (GNNs) demonstrate a robust capability for representation learning on graphs with complex structures, showcasing superior performance in various applications. The majority of existing GNNs employ a graph convolution…

Machine Learning · Computer Science 2025-02-19 Jinlu Wang , Jipeng Guo , Yanfeng Sun , Junbin Gao , Shaofan Wang , Yachao Yang , Baocai Yin

Machine-learning-based surrogate models offer significant computational efficiency and faster simulations compared to traditional numerical methods, especially for problems requiring repeated evaluations of partial differential equations.…

Machine Learning · Computer Science 2025-12-15 Qibang Liu , Weiheng Zhong , Hadi Meidani , Diab Abueidda , Seid Koric , Philippe Geubelle

The control of high-dimensional systems, such as soft robots, requires models that faithfully capture complex dynamics while remaining computationally tractable. This work presents a framework that integrates Graph Neural Network…

Surrogate models are used for global approximation of responses generated by expensive computer experiments like CFD applications. In this paper, we make use of structural similarities which are shared by a class of related problems. We…

Numerical Analysis · Mathematics 2012-06-20 Benjamin Rosenbaum , Volker Schulz

This work presents a novel graph neural network (GNN) architecture, the Feature-specific Interpretable Graph Neural Network (FIGNN), designed to enhance the interpretability of deep learning surrogate models defined on unstructured grids in…

Machine Learning · Computer Science 2025-06-16 Riddhiman Raut , Romit Maulik , Shivam Barwey