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The quest for efficient and robust deep learning models for molecular systems representation is increasingly critical in scientific exploration. The advent of message passing neural networks has marked a transformative era in graph-based…

计算物理 · 物理学 2026-01-05 Jian Chang , Shuze Zhu

Learning powerful data embeddings has become a center piece in machine learning, especially in natural language processing and computer vision domains. The crux of these embeddings is that they are pretrained on huge corpus of data in a…

机器学习 · 计算机科学 2019-11-28 Saurabh Verma , Zhi-Li Zhang

Human motion prediction is an important and challenging task in many computer vision application domains. Recent work concentrates on utilizing the timing processing ability of recurrent neural networks (RNNs) to achieve smooth and reliable…

计算机视觉与模式识别 · 计算机科学 2021-12-21 Zigeng Yan , Di-Hua Zhai , Yuanqing Xia

Modern Deep Neural Networks (DNNs) require significant memory to store weight, activations, and other intermediate tensors during training. Hence, many models do not fit one GPU device or can be trained using only a small per-GPU batch…

Heterogeneous temporal graphs (HTGs) are ubiquitous data structures in the real world. Recently, to enhance representation learning on HTGs, numerous attention-based neural networks have been proposed. Despite these successes, existing…

机器学习 · 计算机科学 2025-10-22 Yili Wang , Tairan Huang , Changlong He , Qiutong Li , Jianliang Gao

Recurrent neural networks (RNNs) are widely used as a memory model for sequence-related problems. Many variants of RNN have been proposed to solve the gradient problems of training RNNs and process long sequences. Although some classical…

神经与进化计算 · 计算机科学 2020-05-29 Chenpeng Zhang , Shuai Li , Mao Ye , Ce Zhu , Xue Li

Understanding the training dynamics of deep neural networks (DNNs) is important as it can lead to improved training efficiency and task performance. Recent works have demonstrated that representing the wirings of static graph cannot capture…

机器学习 · 计算机科学 2023-02-22 Fatemeh Vahedian , Ruiyu Li , Puja Trivedi , Di Jin , Danai Koutra

Node classification for graph-structured data aims to classify nodes whose labels are unknown. While studies on static graphs are prevalent, few studies have focused on dynamic graph node classification. Node classification on dynamic…

机器学习 · 计算机科学 2022-12-08 Jiarui Sun , Mengting Gu , Chin-Chia Michael Yeh , Yujie Fan , Girish Chowdhary , Wei Zhang

Deep neural networks (DNNs) are typically optimized using various forms of mini-batch gradient descent algorithm. A major motivation for mini-batch gradient descent is that with a suitably chosen batch size, available computing resources…

机器学习 · 计算机科学 2022-10-25 Oyebade K. Oyedotun , Konstantinos Papadopoulos , Djamila Aouada

Modern approaches for learning on dynamic graphs have adopted the use of batches instead of applying updates one by one. The use of batches allows these techniques to become helpful in streaming scenarios where updates to graphs are…

机器学习 · 计算机科学 2024-06-07 Or Feldman , Chaim Baskin

Many state-of-the-art Deep Neural Networks (DNNs) have substantial memory requirements. Limited device memory becomes a bottleneck when training those models. We propose ParDNN, an automatic, generic, and non-intrusive partitioning strategy…

分布式、并行与集群计算 · 计算机科学 2021-05-06 Fareed Qararyah , Mohamed Wahib , Doğa Dikbayır , Mehmet Esat Belviranli , Didem Unat

Modeling and predicting temporal point processes (TPPs) is critical in domains such as neuroscience, epidemiology, finance, and social sciences. We introduce the Spiking Dynamic Graph Network (SDGN), a novel framework that leverages the…

机器学习 · 计算机科学 2025-04-03 Biswadeep Chakraborty , Hemant Kumawat , Beomseok Kang , Saibal Mukhopadhyay

Graph neural networks (GNN) have shown great success in learning from graph-structured data. They are widely used in various applications, such as recommendation, fraud detection, and search. In these domains, the graphs are typically…

机器学习 · 计算机科学 2021-08-04 Da Zheng , Chao Ma , Minjie Wang , Jinjing Zhou , Qidong Su , Xiang Song , Quan Gan , Zheng Zhang , George Karypis

Graph convolutional networks (GCNs) have been employed as a kind of significant tool on many graph-based applications recently. Inspired by convolutional neural networks (CNNs), GCNs generate the embeddings of nodes by aggregating the…

机器学习 · 计算机科学 2020-11-20 Tao Huang , Yihan Zhang , Jiajing Wu , Junyuan Fang , Zibin Zheng

DNN training is time-consuming and requires efficient multi-accelerator parallelization, where a single training iteration is split over available accelerators. Current approaches often parallelize training using intra-batch…

分布式、并行与集群计算 · 计算机科学 2024-10-24 Ankita Dutta , Nabendu Chaki , Rajat K. De

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…

计算工程、金融与科学 · 计算机科学 2024-02-15 Roberto Perera , Vinamra Agrawal

Spatio-temporal modeling as a canonical task of multivariate time series forecasting has been a significant research topic in AI community. To address the underlying heterogeneity and non-stationarity implied in the graph streams, in this…

In the realm of applications where data dynamically evolves across spatial and temporal dimensions, Graph Neural Networks (GNNs) are often complemented by sequence modeling architectures, such as RNNs and transformers, to effectively model…

机器学习 · 计算机科学 2024-09-02 Osama Ahmad , Omer Abdul Jalil , Usman Nazir , Murtaza Taj

Dynamic graph neural networks (DGNNs) have emerged and been widely deployed in various web applications (e.g., Reddit) to serve users (e.g., personalized content delivery) due to their remarkable ability to learn from complex and dynamic…

机器学习 · 计算机科学 2025-02-04 He Zhang , Bang Wu , Xiangwen Yang , Xingliang Yuan , Xiaoning Liu , Xun Yi

This work presents a graph neural network (GNN) framework for solving the maximum independent set (MIS) problem, inspired by dynamic programming (DP). Specifically, given a graph, we propose a DP-like recursive algorithm based on GNNs that…