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Neural networks efficiently encode learned information within their parameters. Consequently, many tasks can be unified by treating neural networks themselves as input data. When doing so, recent studies demonstrated the importance of…

机器学习 · 计算机科学 2024-01-02 Derek Lim , Haggai Maron , Marc T. Law , Jonathan Lorraine , James Lucas

Graph neural networks (GNNs) have been demonstrated to perform well in graph representation learning, but always lacking in generalization capability when tackling out-of-distribution (OOD) data. Graph invariant learning methods, backed by…

机器学习 · 计算机科学 2023-12-19 Tianrui Jia , Haoyang Li , Cheng Yang , Tao Tao , Chuan Shi

Subgraph representation learning based on Graph Neural Network (GNN) has exhibited broad applications in scientific advancements, such as predictions of molecular structure-property relationships and collective cellular function. In…

机器学习 · 计算机科学 2022-10-17 Yili Shen , Xiao Liu , Cheng-Wei Ju , Jiaxu Yan , Jun Yi , Zhou Lin , Hui Guan

Recently, machine learning, particularly message-passing graph neural networks (MPNNs), has gained traction in enhancing exact optimization algorithms. For example, MPNNs speed up solving mixed-integer optimization problems by imitating…

机器学习 · 计算机科学 2023-10-17 Chendi Qian , Didier Chételat , Christopher Morris

Despite the celebrated popularity of Graph Neural Networks (GNNs) across numerous applications, the ability of GNNs to generalize remains less explored. In this work, we propose to study the generalization of GNNs through a novel…

机器学习 · 计算机科学 2024-04-17 Shouheng Li , Dongwoo Kim , Qing Wang

The goal of graph summarization is to represent large graphs in a structured and compact way. A graph summary based on equivalence classes preserves pre-defined features of a graph's vertex within a $k$-hop neighborhood such as the vertex…

机器学习 · 计算机科学 2022-12-09 Maximilian Blasi , Manuel Freudenreich , Johannes Horvath , David Richerby , Ansgar Scherp

We present a framework of Training Free Graph Matching (TFGM) to boost the performance of Graph Neural Networks (GNNs) based graph matching, providing a fast promising solution without training (training-free). TFGM provides four widely…

机器学习 · 计算机科学 2022-02-15 Zhiyuan Liu , Yixin Cao , Fuli Feng , Xiang Wang , Jie Tang , Kenji Kawaguchi , Tat-Seng Chua

Graph Neural Networks (GNNs) excel in graph-based learning tasks, but their complex, non-linear operations often render them as opaque "black boxes". This opacity hinders user trust, complicates debugging, bias detection, and adoption in…

人工智能 · 计算机科学 2025-11-18 TC Singh , Sougata Mukherjea

Domain generalization (DG) aims to learn a generalizable model from multiple training domains such that it can perform well on unseen target domains. A popular strategy is to augment training data to benefit generalization through methods…

计算机视觉与模式识别 · 计算机科学 2023-11-29 Wang Lu , Jindong Wang , Han Yu , Lei Huang , Xiang Zhang , Yiqiang Chen , Xing Xie

Modern deep networks can be better generalized when trained with noisy samples and regularization techniques. Mixup and CutMix have been proven to be effective for data augmentation to help avoid overfitting. Previous Mixup-based methods…

计算机视觉与模式识别 · 计算机科学 2022-11-30 Shuyang Sun , Jie-Neng Chen , Ruifei He , Alan Yuille , Philip Torr , Song Bai

As Deep Neural Networks have achieved thrilling breakthroughs in the past decade, data augmentations have garnered increasing attention as regularization techniques when massive labeled data are unavailable. Among existing augmentations,…

机器学习 · 计算机科学 2025-04-24 Xin Jin , Hongyu Zhu , Siyuan Li , Zedong Wang , Zicheng Liu , Juanxi Tian , Chang Yu , Huafeng Qin , Stan Z. Li

We introduce and study a mathematical framework for a broad class of regularization functionals for ill-posed inverse problems: Regularization Graphs. Regularization graphs allow to construct functionals using as building blocks linear…

最优化与控制 · 数学 2022-09-28 Kristian Bredies , Marcello Carioni , Martin Holler

ReLU neural networks have been modelled as constraints in mixed integer linear programming (MILP), enabling surrogate-based optimisation in various domains and efficient solution of machine learning certification problems. However, previous…

最优化与控制 · 数学 2023-12-05 Tom McDonald , Calvin Tsay , Artur M. Schweidtmann , Neil Yorke-Smith

Graph self-supervised learning (GSSL) has emerged as a compelling framework for extracting informative representations from graph-structured data without extensive reliance on labeled inputs. In this study, we introduce Graph Interplay…

机器学习 · 计算机科学 2025-01-17 Xinjian Zhao , Wei Pang , Xiangru Jian , Yaoyao Xu , Chaolong Ying , Tianshu Yu

Image matching is a key component of many tasks in computer vision and its main objective is to find correspondences between features extracted from different natural images. When images are represented as graphs, image matching boils down…

计算机视觉与模式识别 · 计算机科学 2022-05-31 Nancy Xu , Giannis Nikolentzos , Michalis Vazirgiannis , Henrik Boström

We consider a very simple dynamical system on weighted graphs which we call Iterative Graph Normalization (IGN) and a variant in which we apply a non-linear activation function to the weights after each normalization. We show that the…

离散数学 · 计算机科学 2020-12-15 Laurent Guigues

Mixup augmentation has emerged as a widely used technique for improving the generalization ability of deep neural networks (DNNs). However, the lack of standardized implementations and benchmarks has impeded recent progress, resulting in…

计算机视觉与模式识别 · 计算机科学 2024-10-08 Siyuan Li , Zedong Wang , Zicheng Liu , Juanxi Tian , Di Wu , Cheng Tan , Weiyang Jin , Stan Z. Li

Most Graph Neural Networks (GNNs) cannot distinguish some graphs or indeed some pairs of nodes within a graph. This makes it impossible to solve certain classification tasks. However, adding additional node features to these models can…

机器学习 · 计算机科学 2022-09-20 Beni Egressy , Roger Wattenhofer

Existing popular methods for semi-supervised learning with Graph Neural Networks (such as the Graph Convolutional Network) provably cannot learn a general class of neighborhood mixing relationships. To address this weakness, we propose a…

Most complex machine learning and modelling techniques are prone to over-fitting and may subsequently generalise poorly to future data. Artificial neural networks are no different in this regard and, despite having a level of implicit…

机器学习 · 统计学 2022-05-26 Vincent Szolnoky , Viktor Andersson , Balazs Kulcsar , Rebecka Jörnsten