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Providing fast and accurate solutions to partial differential equations is a problem of continuous interest to the fields of applied mathematics and physics. With the recent advances in machine learning, the adoption learning techniques in…

Computational Physics · Physics 2019-04-16 S. Mohammad H. Hashemi , Demetri Psaltis

We address a largely open problem of multilabel classification over graphs. Unlike traditional vector input, a graph has rich variable-size substructures which are related to the labels in some ways. We believe that uncovering these…

Machine Learning · Computer Science 2018-04-12 Kien Do , Truyen Tran , Thin Nguyen , Svetha Venkatesh

Graph Neural Networks (GNNs) have emerged as a powerful technique for learning on relational data. Owing to the relatively limited number of message passing steps they perform -- and hence a smaller receptive field -- there has been…

Machine Learning · Computer Science 2022-06-27 Ameya Velingker , Ali Kemal Sinop , Ira Ktena , Petar Veličković , Sreenivas Gollapudi

Message passing neural networks iteratively generate node embeddings by aggregating information from neighboring nodes. With increasing depth, information from more distant nodes is included. However, node embeddings may be unable to…

Machine Learning · Computer Science 2024-03-29 Franka Bause , Samir Moustafa , Johannes Langguth , Wilfried N. Gansterer , Nils M. Kriege

Based on the theory of homogeneous spaces we derive geometrically optimal edge attributes to be used within the flexible message-passing framework. We formalize the notion of weight sharing in convolutional networks as the sharing of…

Machine Learning · Computer Science 2024-03-18 Erik J Bekkers , Sharvaree Vadgama , Rob D Hesselink , Putri A van der Linden , David W Romero

The message passing framework is the foundation of the immense success enjoyed by graph neural networks (GNNs) in recent years. In spite of its elegance, there exist many problems it provably cannot solve over given input graphs. This has…

Machine Learning · Computer Science 2022-02-23 Petar Veličković

We propose Embedding Propagation (EP), an unsupervised learning framework for graph-structured data. EP learns vector representations of graphs by passing two types of messages between neighboring nodes. Forward messages consist of label…

Machine Learning · Computer Science 2017-10-10 Alberto Garcia-Duran , Mathias Niepert

Generative models provide a powerful framework for probabilistic reasoning. However, in many domains their use has been hampered by the practical difficulties of inference. This is particularly the case in computer vision, where models of…

Computer Vision and Pattern Recognition · Computer Science 2015-01-28 Varun Jampani , S. M. Ali Eslami , Daniel Tarlow , Pushmeet Kohli , John Winn

Graph neural network have achieved impressive results in predicting molecular properties, but they do not directly account for local and hidden structures in the graph such as functional groups and molecular geometry. At each propagation…

Machine Learning · Computer Science 2020-02-25 Daniel Flam-Shepherd , Tony Wu , Pascal Friederich , Alan Aspuru-Guzik

This paper introduces Neural Subdivision, a novel framework for data-driven coarse-to-fine geometry modeling. During inference, our method takes a coarse triangle mesh as input and recursively subdivides it to a finer geometry by applying…

Graphics · Computer Science 2020-05-06 Hsueh-Ti Derek Liu , Vladimir G. Kim , Siddhartha Chaudhuri , Noam Aigerman , Alec Jacobson

Incorporating symmetry as an inductive bias into neural network architecture has led to improvements in generalization, data efficiency, and physical consistency in dynamics modeling. Methods such as CNNs or equivariant neural networks use…

Machine Learning · Computer Science 2022-06-17 Rui Wang , Robin Walters , Rose Yu

Meshes are ubiquitous in visual computing and simulation, yet most existing machine learning techniques represent meshes only indirectly, e.g. as the level set of a scalar field or deformation of a template, or as a disordered triangle soup…

Computer Vision and Pattern Recognition · Computer Science 2025-02-12 Tianchang Shen , Zhaoshuo Li , Marc Law , Matan Atzmon , Sanja Fidler , James Lucas , Jun Gao , Nicholas Sharp

We propose an extension of the Contextual Graph Markov Model, a deep and probabilistic machine learning model for graphs, to model the distribution of edge features. Our approach is architectural, as we introduce an additional Bayesian…

Machine Learning · Computer Science 2023-08-21 Daniele Atzeni , Federico Errica , Davide Bacciu , Alessio Micheli

Message-passing neural networks (MPNNs) are the leading architecture for deep learning on graph-structured data, in large part due to their simplicity and scalability. Unfortunately, it was shown that these architectures are limited in…

Choosing the right representation for geometry is crucial for making 3D models compatible with existing applications. Focusing on piecewise-smooth man-made shapes, we propose a new representation that is usable in conventional CAD modeling…

Graphics · Computer Science 2021-02-11 Dmitriy Smirnov , Mikhail Bessmeltsev , Justin Solomon

Graph Neural Networks (GNNs) traditionally employ a message-passing mechanism that resembles diffusion over undirected graphs, which often leads to homogenization of node features and reduced discriminative power in tasks such as node…

Machine Learning · Computer Science 2025-03-04 Seong Ho Pahng , Sahand Hormoz

Most current deep learning models equivariant to $O(n)$ or $SO(n)$ either consider mostly scalar information such as distances and angles or have a very high computational complexity. In this work, we test a few novel message passing graph…

Machine Learning · Computer Science 2024-07-11 Cong Liu , David Ruhe , Patrick Forré

We investigate numerous structural connections between numerical algorithms for partial differential equations (PDEs) and neural architectures. Our goal is to transfer the rich set of mathematical foundations from the world of PDEs to…

Numerical Analysis · Mathematics 2022-03-22 Tobias Alt , Karl Schrader , Matthias Augustin , Pascal Peter , Joachim Weickert

Data-driven learning of physical systems has kindled significant attention, where many neural models have been developed. In particular, mesh-based graph neural networks (GNNs) have demonstrated significant potential in modeling…

Machine Learning · Computer Science 2025-10-08 Yuan Mi , Qi Wang , Xueqin Hu , Yike Guo , Ji-Rong Wen , Yang Liu , Hao Sun

Graph neural networks (GNNs) have drawn increasing attention in recent years and achieved remarkable performance in many graph-based tasks, especially in semi-supervised learning on graphs. However, most existing GNNs are based on the…

Machine Learning · Computer Science 2024-01-24 Li Zhou , Wenyu Chen , Dingyi Zeng , Shaohuan Cheng , Wanlong Liu , Malu Zhang , Hong Qu