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Modern machine learning is still largely organized around a single recipe: choose a parameterized model family and optimize its weights. Although highly successful, this paradigm is too narrow for many structured prediction problems, where…

Artificial Intelligence · Computer Science 2026-04-23 Kamer Ali Yuksel , Hassan Sawaf

Long-range interactions are essential for the correct description of complex systems in many scientific fields. The price to pay for including them in the calculations, however, is a dramatic increase in the overall computational costs.…

Physics-based simulation of mesh based domains remains a challenging task. State-of-the-art techniques can produce realistic results but require expert knowledge. A major bottleneck in many approaches is the step of integrating a potential…

Graphics · Computer Science 2023-11-07 Oshri Halimi , Egor Larionov , Zohar Barzelay , Philipp Herholz , Tuur Stuyck

We propose a method that leverages graph neural networks, multi-level message passing, and unsupervised training to enable real-time prediction of realistic clothing dynamics. Whereas existing methods based on linear blend skinning must be…

Computer Vision and Pattern Recognition · Computer Science 2023-06-19 Artur Grigorev , Bernhard Thomaszewski , Michael J. Black , Otmar Hilliges

Deep learning-based approaches, particularly graph neural networks (GNNs), have gained prominence in simulating flexible deformations and contacts of solids, due to their ability to handle unstructured physical fields and nonlinear…

Machine Learning · Computer Science 2026-04-07 Zhe Feng , Shilong Tao , Haonan Sun , Shaohan Chen , Zhanxing Zhu , Yunhuai Liu

Machine Learning surrogates for Computational Fluid Dynamics (CFD), particularly Graph Neural Networks (GNNs) and Transformers, have become a new important approach for accelerating physics simulations. However, we identify a critical…

Machine Learning · Computer Science 2026-05-05 Paul Garnier , Vincent Lannelongue , Elie Hachem

Graph embedding techniques, which learn low-dimensional representations of a graph, are achieving state-of-the-art performance in many graph mining tasks. Most existing embedding algorithms assign a single vector to each node, implicitly…

Social and Information Networks · Computer Science 2020-10-22 Jisung Yoon , Kai-Cheng Yang , Woo-Sung Jung , Yong-Yeol Ahn

With many frameworks based on message passing neural networks proposed to predict molecular and bulk properties, machine learning methods have tremendously shifted the paradigms of computational sciences underpinning physics, material…

Machine Learning · Computer Science 2021-09-03 Zun Wang , Chong Wang , Sibo Zhao , Yong Xu , Shaogang Hao , Chang Yu Hsieh , Bing-Lin Gu , Wenhui Duan

Recent works on representation learning for graph structured data predominantly focus on learning distributed representations of graph substructures such as nodes and subgraphs. However, many graph analytics tasks such as graph…

Artificial Intelligence · Computer Science 2017-07-18 Annamalai Narayanan , Mahinthan Chandramohan , Rajasekar Venkatesan , Lihui Chen , Yang Liu , Shantanu Jaiswal

Modelling long-range dependencies is critical for scene understanding tasks in computer vision. Although convolution neural networks (CNNs) have excelled in many vision tasks, they are still limited in capturing long-range structured…

Computer Vision and Pattern Recognition · Computer Science 2022-09-21 Li Zhang , Mohan Chen , Anurag Arnab , Xiangyang Xue , Philip H. S. Torr

Finding low dimensional representation of data from long-timescale trajectories of biomolecular processes such as protein-folding or ligand-receptor binding is of fundamental importance and kinetic models such as Markov modeling have proven…

Computational Physics · Physics 2024-06-19 Mahdi Ghorbani , Samarjeet Prasad , Jeffery B. Klauda , Bernard R. Brooks

Enhancing neural networks with knowledge of physical equations has become an efficient way of solving various physics problems, from fluid flow to electromagnetism. Graph neural networks show promise in accurately representing irregularly…

Machine Learning · Computer Science 2022-04-01 Mike Y. Michelis , Robert K. Katzschmann

Mesh models are a promising approach for encoding the structure of 3D objects. Current mesh reconstruction systems predict uniformly distributed vertex locations of a predetermined graph through a series of graph convolutions, leading to…

Computer Vision and Pattern Recognition · Computer Science 2019-02-01 Edward J. Smith , Scott Fujimoto , Adriana Romero , David Meger

Message passing neural networks have recently evolved into a state-of-the-art approach to representation learning on graphs. Existing methods perform synchronous message passing along all edges in multiple subsequent rounds and consequently…

Machine Learning · Computer Science 2020-12-21 Julian Busch , Jiaxing Pi , Thomas Seidl

A GraphMaps is a system that visualizes a graph using zoom levels, which is similar to a geographic map visualization. GraphMaps reveals the structural properties of the graph and enables users to explore the graph in a natural way by using…

Computational Geometry · Computer Science 2018-08-14 Debajyoti Mondal , Lev Nachmanson

Message-passing architectures struggle to sufficiently model long-range dependencies in node and graph prediction tasks. We propose a novel approach exploiting hierarchical graph structures and adaptive random walks to address this…

Machine Learning · Computer Science 2025-09-03 Joël Mathys , Federico Errica

The success of graph embeddings or node representation learning in a variety of downstream tasks, such as node classification, link prediction, and recommendation systems, has led to their popularity in recent years. Representation learning…

Machine Learning · Computer Science 2018-09-07 Saba A. Al-Sayouri , Danai Koutra , Evangelos E. Papalexakis , Sarah S. Lam

Dynamic graph-level embedding aims to capture structural evolution in networks, which is essential for modeling real-world scenarios. However, existing methods face two critical yet under-explored issues: Structural Visit Bias, where random…

Machine Learning · Computer Science 2025-08-22 Haodi Zhong , Liuxin Zou , Di Wang , Bo Wang , Zhenxing Niu , Quan Wang

While Multi-view Graph Neural Networks (MVGNNs) excel at leveraging diverse modalities for learning object representation, existing methods assume identical local topology structures across modalities that overlook real-world discrepancies.…

Machine Learning · Computer Science 2024-06-05 Peiyu Liang , Hongchang Gao , Xubin He

Here we present a machine learning framework and model implementation that can learn to simulate a wide variety of challenging physical domains, involving fluids, rigid solids, and deformable materials interacting with one another. Our…

Machine Learning · Computer Science 2020-09-15 Alvaro Sanchez-Gonzalez , Jonathan Godwin , Tobias Pfaff , Rex Ying , Jure Leskovec , Peter W. Battaglia