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Message-passing neural networks (MPNNs) have been successfully applied to representation learning on graphs in a variety of real-world applications. However, two fundamental weaknesses of MPNNs' aggregators limit their ability to represent…

Machine Learning · Computer Science 2020-02-17 Hongbin Pei , Bingzhe Wei , Kevin Chen-Chuan Chang , Yu Lei , Bo Yang

In materials science, the challenge of rapid prototyping materials with desired properties often involves extensive experimentation to find suitable microstructures. Additionally, finding microstructures for given properties is typically an…

Machine Learning · Computer Science 2024-05-22 Sébastien Bompas , Stefan Sandfeld

Machine learning (ML) has been increasingly applied in concrete research to optimize performance and mixture design. However, one major challenge in applying ML to cementitious materials is the limited size and diversity of available…

Computational Engineering, Finance, and Science · Computer Science 2025-12-18 Mahmuda Sharmin , Taihao Han , Jie Huang , Narayanan Neithalath , Gaurav Sant , Aditya Kumar

Graph Neural Networks (GNNs) rely on the graph structure to define an aggregation strategy where each node updates its representation by combining information from its neighbours. A known limitation of GNNs is that, as the number of layers…

Machine Learning · Computer Science 2022-01-19 Davide Buffelli , Fabio Vandin

3D Gaussian Splatting (3DGS) has emerged as a leading representation for real-time novel view synthesis and has been widely adopted in various downstream applications. The core strength of 3DGS lies in its efficient kernel-based scene…

Computer Vision and Pattern Recognition · Computer Science 2026-05-18 Xiangru Wu , Ke Fan , Yanwei Fu

Large-scale visual localization systems continue to rely on 3D point clouds built from image collections using structure-from-motion. While the 3D points in these models are represented using local image features, directly matching a query…

Computer Vision and Pattern Recognition · Computer Science 2024-01-01 Dror Aiger , André Araujo , Simon Lynen

In this study, we propose using a neural embedding model-graph neural network (GNN)- that leverages the heterogeneous features of urban areas and their interactions captured by human mobility network to obtain vector representations of…

Physics and Society · Physics 2021-10-26 Chao Fan , Yang Yang , Ali Mostafavi

The reconstruction of a discrete surface from a point cloud is a fundamental geometry processing problem that has been studied for decades, with many methods developed. We propose the use of a deep neural network as a geometric prior for…

Computer Vision and Pattern Recognition · Computer Science 2019-04-08 Francis Williams , Teseo Schneider , Claudio Silva , Denis Zorin , Joan Bruna , Daniele Panozzo

Embodied intelligence requires precise reconstruction and rendering to simulate large-scale real-world data. Although 3D Gaussian Splatting (3DGS) has recently demonstrated high-quality results with real-time performance, it still faces…

Computer Vision and Pattern Recognition · Computer Science 2025-04-02 Haodong Xiang , Xinghui Li , Kai Cheng , Xiansong Lai , Wanting Zhang , Zhichao Liao , Long Zeng , Xueping Liu

We present a novel set of rigorous and computationally efficient topology-based complexity notions that exhibit a strong correlation with the generalization gap in modern deep neural networks (DNNs). DNNs show remarkable generalization…

Machine Learning · Computer Science 2024-12-17 Rayna Andreeva , Benjamin Dupuis , Rik Sarkar , Tolga Birdal , Umut Şimşekli

3D Gaussian Splatting has achieved impressive performance in novel view synthesis with real-time rendering capabilities. However, reconstructing high-quality surfaces with fine details using 3D Gaussians remains a challenging task. In this…

Computer Vision and Pattern Recognition · Computer Science 2024-12-03 Jiepeng Wang , Yuan Liu , Peng Wang , Cheng Lin , Junhui Hou , Xin Li , Taku Komura , Wenping Wang

Graph neural networks (GNNs) provide a powerful and scalable solution for modeling continuous spatial data. However, they often rely on Euclidean distances to construct the input graphs. This assumption can be improbable in many real-world…

Machine Learning · Computer Science 2023-02-20 Konstantin Klemmer , Nathan Safir , Daniel B. Neill

The ability to compute similarity scores between graphs based on metrics such as Graph Edit Distance (GED) is important in many real-world applications. Computing exact GED values is typically an NP-hard problem and traditional algorithms…

Machine Learning · Computer Science 2022-08-18 Haoyan Xu , Runjian Chen , Yueyang Wang , Ziheng Duan , Jie Feng

Graph Neural Networks (GNNs) are effective for processing graph-structured data but face challenges with large graphs due to high memory requirements and inefficient sparse matrix operations on GPUs. Quantum Computing (QC) offers a…

Machine Learning · Computer Science 2025-11-04 Mikel Casals , Vasilis Belis , Elias F. Combarro , Eduard Alarcón , Sofia Vallecorsa , Michele Grossi

In recent years, Graph Neural Networks (GNNs) have achieved remarkable success in many graph mining tasks. However, scaling them to large graphs is challenging due to the high computational and storage costs of repeated feature propagation…

Machine Learning · Computer Science 2025-04-11 Yuxuan Liang , Wentao Zhang , Zeang Sheng , Ling Yang , Quanqing Xu , Jiawei Jiang , Yunhai Tong , Bin Cui

Graph convolutional networks (GCNs) update a node's feature vector by aggregating features from its neighbors in the graph. This ignores potentially useful contributions from distant nodes. Identifying such useful distant contributions is…

Artificial Intelligence · Computer Science 2020-03-03 Hesham Mostafa , Marcel Nassar

Graph neural networks (GNNs) have been applied to a large variety of applications in materials science and chemistry. Here, we recapitulate the graph construction for crystalline (periodic) materials and investigate its impact on the GNNs…

Machine Learning · Computer Science 2023-08-10 Robin Ruff , Patrick Reiser , Jan Stühmer , Pascal Friederich

Combining the signed distance function (SDF) and differentiable volume rendering has emerged as a powerful paradigm for surface reconstruction from multi-view images without 3D supervision. However, current methods are impeded by requiring…

Computer Vision and Pattern Recognition · Computer Science 2024-06-05 Rui Peng , Xiaodong Gu , Luyang Tang , Shihe Shen , Fanqi Yu , Ronggang Wang

This work analyzes Graph Neural Networks, a generalization of Fully-Connected Deep Neural Nets on Graph structured data, when their width, that is the number of nodes in each fullyconnected layer is increasing to infinity. Infinite Width…

Machine Learning · Computer Science 2023-11-21 Yunus Cobanoglu

We propose a learning paradigm for numerical approximation of differential invariants of planar curves. Deep neural-networks' (DNNs) universal approximation properties are utilized to estimate geometric measures. The proposed framework is…

Computer Vision and Pattern Recognition · Computer Science 2022-02-15 Roy Velich , Ron Kimmel
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