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Graph Neural Networks (GNNs) are powerful deep learning models to generate node embeddings on graphs. When applying deep GNNs on large graphs, it is still challenging to perform training in an efficient and scalable way. We propose a novel…

Machine Learning · Computer Science 2020-10-08 Hanqing Zeng , Hongkuan Zhou , Ajitesh Srivastava , Rajgopal Kannan , Viktor Prasanna

Protein function prediction may be framed as predicting subgraphs (with certain closure properties) of a directed acyclic graph describing the hierarchy of protein functions. Graph neural networks (GNNs), with their built-in inductive bias…

Machine Learning · Computer Science 2020-08-07 Stefan Spalević , Petar Veličković , Jovana Kovačević , Mladen Nikolić

Recently, graph neural networks (GNNs) have proved to be suitable in tasks on unstructured data. Particularly in tasks as community detection, node classification, and link prediction. However, most GNN models still operate with static…

Machine Learning · Computer Science 2019-06-07 Darwin Saire Pilco , Adín Ramírez Rivera

We present a fast and scalable framework, leveraging graph neural networks (GNNs) and hierarchical matrix ($\mathcal{H}$-matrix) techniques, for simulating large-scale particulate suspensions, which have broader impacts across science and…

Computational Physics · Physics 2026-01-16 Zhan Ma , Zisheng Ye , Ebrahim Safdarian , Wenxiao Pan

The goal of this work is to address two limitations in autoencoder-based models: latent space interpretability and compatibility with unstructured meshes. This is accomplished here with the development of a novel graph neural network (GNN)…

Machine Learning · Computer Science 2023-02-20 Shivam Barwey , Varun Shankar , Venkatasubramanian Viswanathan , Romit Maulik

Graph neural network (GNN) has shown convincing performance in learning powerful node representations that preserve both node attributes and graph structural information. However, many GNNs encounter problems in effectiveness and efficiency…

Machine Learning · Computer Science 2022-01-03 Jiyang Bai , Yuxiang Ren , Jiawei Zhang

Physical systems with complex unsteady dynamics, such as fluid flows, are often poorly represented by a single mean solution. For many practical applications, it is crucial to access the full distribution of possible states, from which…

Computational Physics · Physics 2025-04-07 Mario Lino , Tobias Pfaff , Nils Thuerey

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…

Endowing robots with human-like physical reasoning abilities remains challenging. We argue that existing methods often disregard spatio-temporal relations and by using Graph Neural Networks (GNNs) that incorporate a relational inductive…

Machine Learning · Computer Science 2019-10-24 Fabio Ferreira , Lin Shao , Tamim Asfour , Jeannette Bohg

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 introduce Graph-Structured Sum-Product Networks (GraphSPNs), a probabilistic approach to structured prediction for problems where dependencies between latent variables are expressed in terms of arbitrary, dynamic graphs. While many…

Machine Learning · Computer Science 2017-11-23 Kaiyu Zheng , Andrzej Pronobis , Rajesh P. N. Rao

Data-centric methods have shown great potential in understanding and predicting spatiotemporal dynamics, enabling better design and control of the object system. However, deep learning models often lack interpretability, fail to obey…

Machine Learning · Computer Science 2025-01-07 Yuan Mi , Pu Ren , Hongteng Xu , Hongsheng Liu , Zidong Wang , Yike Guo , Ji-Rong Wen , Hao Sun , Yang Liu

Graph neural networks (GNNs) have emerged as a versatile and efficient option for modeling the dynamic behavior of deformable materials. While GNNs generalize readily to arbitrary shapes, mesh topologies, and material parameters, existing…

Machine Learning · Computer Science 2026-04-30 Jiahong Wang , Logan Numerow , Stelian Coros , Christian Theobalt , Vahid Babaei , Bernhard Thomaszewski

Mesh-based simulations are central to modeling complex physical systems in many disciplines across science and engineering. Mesh representations support powerful numerical integration methods and their resolution can be adapted to strike…

Machine Learning · Computer Science 2021-06-21 Tobias Pfaff , Meire Fortunato , Alvaro Sanchez-Gonzalez , Peter W. Battaglia

Dynamic demand prediction is crucial for the efficient operation and management of urban transportation systems. Extensive research has been conducted on single-mode demand prediction, ignoring the fact that the demands for different…

Machine Learning · Computer Science 2022-09-02 Yuebing Liang , Guan Huang , Zhan Zhao

A recurrent neural network (RNN) is a universal approximator of dynamical systems, whose performance often depends on sensitive hyperparameters. Tuning of such hyperparameters may be difficult and, typically, based on a trial-and-error…

Neural and Evolutionary Computing · Computer Science 2017-02-22 Filippo Maria Bianchi , Lorenzo Livi , Cesare Alippi , Robert Jenssen

This study addresses the challenge of accurately identifying multi-task contention types in high-dimensional system environments and proposes a unified contention classification framework that integrates representation transformation,…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-01-29 Xiao Yang , Yinan Ni , Yuqi Tang , Zhimin Qiu , Chen Wang , Tingzhou Yuan

Soft tissue simulation in virtual environments is becoming increasingly important for medical applications. However, the high deformability of soft tissue poses significant challenges. Existing methods rely on segmentation, meshing and…

Machine Learning · Computer Science 2025-08-08 Madina Kojanazarova , Florentin Bieder , Robin Sandkühler , Philippe C. Cattin

We present a novel methodology to jointly perform multi-task learning and infer intrinsic relationship among tasks by an interpretable and sparse graph. Unlike existing multi-task learning methodologies, the graph structure is not assumed…

Machine Learning · Computer Science 2020-09-15 Shujian Yu , Francesco Alesiani , Ammar Shaker , Wenzhe Yin

Graph Neural Networks (GNNs) are a framework for graph representation learning, where a model learns to generate low dimensional node embeddings that encapsulate structural and feature-related information. GNNs are usually trained in an…

Machine Learning · Computer Science 2020-12-15 Davide Buffelli , Fabio Vandin
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