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Continuum mechanics simulators, numerically solving one or more partial differential equations, are essential tools in many areas of science and engineering, but their performance often limits application in practice. Recent modern machine…

Machine Learning · Computer Science 2021-06-10 Mario Lino , Chris Cantwell , Anil A. Bharath , Stathi Fotiadis

Graph neural networks (GNNs) have emerged as powerful tools for learning protein structures by capturing spatial relationships at the residue level. However, existing GNN-based methods often face challenges in learning multiscale…

Machine Learning · Computer Science 2026-02-03 Shih-Hsin Wang , Yuhao Huang , Taos Transue , Justin Baker , Jonathan Forstater , Thomas Strohmer , Bao Wang

In scientific machine learning, regression networks have been recently applied to approximate solution maps (e.g., potential-ground state map of Schr\"odinger equation). In this paper, we aim to reduce the generalization error without…

Numerical Analysis · Mathematics 2021-02-16 Zhihan Li , Yuwei Fan , Lexing Ying

Parallel training of neural networks at scale is challenging due to significant overheads arising from communication. Recently, deep learning researchers have developed a variety of pruning algorithms that are capable of pruning (i.e.…

Machine Learning · Computer Science 2023-05-16 Siddharth Singh , Abhinav Bhatele

Stochastic Gradient Descent (SGD) is the most popular algorithm for training deep neural networks (DNNs). As larger networks and datasets cause longer training times, training on distributed systems is common and distributed SGD variants,…

Machine Learning · Computer Science 2019-06-17 Kwangmin Yu , Thomas Flynn , Shinjae Yoo , Nicholas D'Imperio

Multi-Agent Reinforcement Learning is widely used for multi-robot coordination, where simple graphs typically model pairwise interactions. However, such representations fail to capture higher-order collaborations, limiting effectiveness in…

Robotics · Computer Science 2025-08-01 Delin Zhao , Yanbo Shan , Chang Liu , Shenghang Lin , Yingxin Shou , Bin Xu

Multi-task multi-agent reinforcement learning (MT-MARL) has recently gained attention for its potential to enhance MARL's adaptability across multiple tasks. However, it is challenging for existing multi-task learning methods to handle…

Robotics · Computer Science 2025-07-10 Guobin Zhu , Rui Zhou , Wenkang Ji , Hongyin Zhang , Donglin Wang , Shiyu Zhao

Heterogeneous Graph Neural Networks (HGNNs) are powerful tools for deep learning on heterogeneous graphs. Typical HGNNs require repetitive message passing during training, limiting efficiency for large-scale real-world graphs. Recent…

Machine Learning · Computer Science 2024-09-04 Jun Hu , Bryan Hooi , Bingsheng He

There is a large variety of machine learning methodologies that are based on the extraction of spectral geometric information from data. However, the implementations of many of these methods often depend on traditional eigensolvers, which…

Machine Learning · Computer Science 2023-10-03 Chenghui Li , Rishi Sonthalia , Nicolas Garcia Trillos

Training convolutional neural networks (CNNs) on high-resolution images is often bottlenecked by the cost of evaluating gradients of the loss on the finest spatial mesh. To address this, we propose Multiscale Gradient Estimation (MGE), a…

Machine Learning · Computer Science 2026-03-03 Shadab Ahamed , Niloufar Zakariaei , Eldad Haber , Moshe Eliasof

With the continued innovations of deep neural networks, spiking neural networks (SNNs) that more closely resemble biological brain synapses have attracted attention owing to their low power consumption.However, for continuous data values,…

Neural and Evolutionary Computing · Computer Science 2021-03-02 Naoya Muramatsu , Hai-Tao Yu

Although hypergraph neural networks (HGNNs) have emerged as a powerful framework for analyzing complex datasets, their practical performance often remains limited. On one hand, existing networks typically employ a single type of attention…

Machine Learning · Computer Science 2025-11-14 Murong Yang , Shihui Ying , Yue Gao , Xin-Jian Xu

Recurrent neural networks have achieved great success in many NLP tasks. However, they have difficulty in parallelization because of the recurrent structure, so it takes much time to train RNNs. In this paper, we introduce sliced recurrent…

Computation and Language · Computer Science 2018-07-09 Zeping Yu , Gongshen Liu

Hypergraphs are a generalized data structure of graphs to model higher-order correlations among entities, which have been successfully adopted into various research domains. Meanwhile, HyperGraph Neural Network (HGNN) is currently the…

Computer Vision and Pattern Recognition · Computer Science 2021-05-04 Jing Huang , Xiaolin Huang , Jie Yang

Mesh-based Graph Neural Networks (GNNs) have recently shown capabilities to simulate complex multiphysics problems with accelerated performance times. However, mesh-based GNNs require a large number of message-passing (MP) steps and suffer…

Computational Engineering, Finance, and Science · Computer Science 2024-02-15 Roberto Perera , Vinamra Agrawal

The learning rate (LR) is one of the most important hyper-parameters in stochastic gradient descent (SGD) algorithm for training deep neural networks (DNN). However, current hand-designed LR schedules need to manually pre-specify a fixed…

Machine Learning · Computer Science 2021-05-14 Jun Shu , Yanwen Zhu , Qian Zhao , Zongben Xu , Deyu Meng

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

We describe a novel family of models of multi- layer feedforward neural networks in which the activation functions are encoded via penalties in the training problem. Our approach is based on representing a non-decreasing activation function…

Machine Learning · Computer Science 2018-06-22 Armin Askari , Geoffrey Negiar , Rajiv Sambharya , Laurent El Ghaoui

Distributed training of GNNs enables learning on massive graphs (e.g., social and e-commerce networks) that exceed the storage and computational capacity of a single machine. To reach performance comparable to centralized training,…

Machine Learning · Computer Science 2023-05-18 Jiong Zhu , Aishwarya Reganti , Edward Huang , Charles Dickens , Nikhil Rao , Karthik Subbian , Danai Koutra

Training deep neural networks is a highly nontrivial task, involving carefully selecting appropriate training algorithms, scheduling step sizes and tuning other hyperparameters. Trying different combinations can be quite labor-intensive and…

Machine Learning · Computer Science 2017-06-13 Kaifeng Lv , Shunhua Jiang , Jian Li