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While Graph Neural Networks (GNNs) are powerful models for learning representations on graphs, most state-of-the-art models do not have significant accuracy gain beyond two to three layers. Deep GNNs fundamentally need to address: 1).…

Branch-and-bound is the workhorse of all state-of-the-art mixed integer linear programming (MILP) solvers. These implementations of branch-and-bound typically use variable branching, that is, the child nodes are obtained by fixing some…

Optimization and Control · Mathematics 2021-09-20 Santanu S. Dey , Yatharth Dubey , Marco Molinaro

The infinite width limit of random neural networks is known to result in Neural Networks as Gaussian Process (NNGP) (Lee et al. (2018)), characterized by task-independent kernels. It is widely accepted that larger network widths contribute…

Machine Learning · Computer Science 2025-03-11 Zechen Zhang , Haim Sompolinsky

Numerous recent research on graph neural networks (GNNs) has focused on formulating GNN architectures as an optimization problem with the smoothness assumption. However, in node classification tasks, the smoothing effect induced by GNNs…

Machine Learning · Computer Science 2023-09-14 Jiayu Zhai , Lequan Lin , Dai Shi , Junbin Gao

Consistency training is a popular method to improve deep learning models in computer vision and natural language processing. Graph neural networks (GNNs) have achieved remarkable performance in a variety of network science learning tasks,…

Machine Learning · Computer Science 2021-10-14 Cole Hawkins , Vassilis N. Ioannidis , Soji Adeshina , George Karypis

Graph Neural Networks (GNNs) are a powerful tool for handling structured graph data and addressing tasks such as node classification, graph classification, and clustering. However, the sparse nature of GNN computation poses new challenges…

Machine Learning · Computer Science 2023-08-24 Julia Bazinska , Andrei Ivanov , Tal Ben-Nun , Nikoli Dryden , Maciej Besta , Siyuan Shen , Torsten Hoefler

Full-graph and mini-batch Graph Neural Network (GNN) training approaches have distinct system design demands, making it crucial to choose the appropriate approach to develop. A core challenge in comparing these two GNN training approaches…

Machine Learning · Computer Science 2026-05-19 Mengfan Liu , Da Zheng , Junwei Su , Chuan Wu

Graph Neural Networks (GNNs) have achieved state-of-the-art performance in solving graph classification tasks. However, most GNN architectures aggregate information from all nodes and edges in a graph, regardless of their relevance to the…

Machine Learning · Statistics 2024-04-19 Pablo Sanchez-Martin , Kinaan Aamir Khan , Isabel Valera

Driven by the powerful representation ability of Graph Neural Networks (GNNs), plentiful GNN models have been widely deployed in many real-world applications. Nevertheless, due to distribution disparities between different demographic…

Machine Learning · Computer Science 2024-07-17 Zhixun Li , Yushun Dong , Qiang Liu , Jeffrey Xu Yu

As an increasing number of deep-learning-based malware scanners have been proposed, the existing evasion techniques, including code obfuscation and polymorphic malware, are found to be less effective. In this work, we propose a…

Cryptography and Security · Computer Science 2022-03-18 Lan Zhang , Peng Liu , Yoon-Ho Choi , Ping Chen

Automated planning is one of the foundational areas of AI. Since no single planner can work well for all tasks and domains, portfolio-based techniques have become increasingly popular in recent years. In particular, deep learning emerges as…

Artificial Intelligence · Computer Science 2019-11-21 Tengfei Ma , Patrick Ferber , Siyu Huo , Jie Chen , Michael Katz

Graph prediction problems prevail in data analysis and machine learning. The inverse prediction problem, namely to infer input data from given output labels, is of emerging interest in various applications. In this work, we develop…

Machine Learning · Statistics 2022-11-22 Chen Xu , Xiuyuan Cheng , Yao Xie

Deep neural networks (DNNs) have demonstrated promising results in various complex tasks. However, current DNNs encounter challenges with over-parameterization, especially when there is limited training data available. To enhance the…

Machine Learning · Computer Science 2023-08-22 Xingyu Li , Bo Tang

Supercomputer FCFS-based scheduling policies result in many transient idle nodes, a phenomenon that is only partially alleviated by backfill scheduling methods that promote small jobs to run before large jobs. Here we describe how to…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-06-24 Zhengchun Liu , Rajkumar Kettimuthu , Michael E. Papka , Ian Foster

In this paper, we present LiGNN, a deployed large-scale Graph Neural Networks (GNNs) Framework. We share our insight on developing and deployment of GNNs at large scale at LinkedIn. We present a set of algorithmic improvements to the…

Bayesian Neural Networks (BNNs) that possess a property of uncertainty estimation have been increasingly adopted in a wide range of safety-critical AI applications which demand reliable and robust decision making, e.g., self-driving, rescue…

Hardware Architecture · Computer Science 2021-10-08 Qiyu Wan , Haojun Xia , Xingyao Zhang , Lening Wang , Shuaiwen Leon Song , Xin Fu

Deep graph neural networks (GNNs) have achieved excellent results on various tasks on increasingly large graph datasets with millions of nodes and edges. However, memory complexity has become a major obstacle when training deep GNNs for…

Machine Learning · Computer Science 2022-04-12 Guohao Li , Matthias Müller , Bernard Ghanem , Vladlen Koltun

As data size and computing power increase, the architectures of deep neural networks (DNNs) have been getting more complex and huge, and thus there is a growing need to simplify such complex and huge DNNs. In this paper, we propose a novel…

Machine Learning · Statistics 2023-05-24 Insung Kong , Dongyoon Yang , Jongjin Lee , Ilsang Ohn , Yongdai Kim

Graph neural networks (GNNs) are a type of neural network capable of learning on graph-structured data. However, training GNNs on large-scale graphs is challenging due to iterative aggregations of high-dimensional features from neighboring…

Machine Learning · Computer Science 2024-09-18 Nikolai Merkel , Pierre Toussing , Ruben Mayer , Hans-Arno Jacobsen

Developing scalable solutions for training Graph Neural Networks (GNNs) for link prediction tasks is challenging due to the high data dependencies which entail high computational cost and huge memory footprint. We propose a new method for…

Machine Learning · Computer Science 2022-01-11 Nasrullah Sheikh , Xiao Qin , Berthold Reinwald , Chuan Lei