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Maximum mean discrepancy (MMD) has been widely adopted in domain adaptation to measure the discrepancy between the source and target domain distributions. Many existing domain adaptation approaches are based on the joint MMD, which is…

Machine Learning · Computer Science 2020-04-13 Wen Zhang , Dongrui Wu

How can we accurately classify graphs? Graph classification is a pivotal task in data mining with applications in social network analysis, web analysis, drug discovery, molecular property prediction, etc. Graph neural networks have achieved…

Machine Learning · Computer Science 2025-03-28 Minjun Kim , Jaehyeon Choi , SeungJoo Lee , Jinhong Jung , U Kang

Generating graphs that preserve characteristic structures while promoting sample diversity can be challenging, especially when the number of graph observations is small. Here, we tackle the problem of graph generation from only one observed…

Machine Learning · Statistics 2024-04-08 Gesine Reinert , Wenkai Xu

Graph Neural Network (GNN) has demonstrated extraordinary performance in classifying graph properties. However, due to the selection bias of training and testing data (e.g., training on small graphs and testing on large graphs, or training…

Machine Learning · Computer Science 2023-08-17 Bin Lu , Xiaoying Gan , Ze Zhao , Shiyu Liang , Luoyi Fu , Xinbing Wang , Chenghu Zhou

Graphs are used in almost every scientific discipline to express relations among a set of objects. Algorithms that compare graphs, and output a closeness score, or a correspondence among their nodes, are thus extremely important. Despite…

Discrete Mathematics · Computer Science 2020-11-17 Sam Safavi , José Bento

Recent years have witnessed the significant success of applying graph neural networks (GNNs) in learning effective node representations for classification. However, current GNNs are mostly built under the balanced data-splitting, which is…

Machine Learning · Computer Science 2021-10-26 Yu Wang , Charu Aggarwal , Tyler Derr

This paper proposes a family of graph metrics for measuring distances between graphs of different sizes. The proposed metric family defines a general form of the graph generalised optimal sub-pattern assignment (GOSPA) metric and is also…

Social and Information Networks · Computer Science 2025-06-24 Jinhao Gu , Ángel F. García-Fernández , Robert E. Firth , Lennart Svensson

Several emerging post-Bayesian methods target a probability distribution for which an entropy-regularised variational objective is minimised. This increased flexibility introduces a computational challenge, as one loses access to an…

Computation · Statistics 2025-12-17 Clémentine Chazal , Heishiro Kanagawa , Zheyang Shen , Anna Korba , Chris. J. Oates

We study the task of conducting structured reasoning as generating a reasoning graph from natural language input using large language models (LLMs). Previous approaches have explored various prompting schemes, yet they suffer from error…

Computation and Language · Computer Science 2024-06-04 Inderjeet Nair , Lu Wang

Generative Adversarial Networks (GANs) are modern methods to learn the underlying distribution of a data set. GANs have been widely used in sample synthesis, de-noising, domain transfer, etc. GANs, however, are designed in a model-free…

Machine Learning · Computer Science 2021-03-01 Mucong Ding , Constantinos Daskalakis , Soheil Feizi

Generative models have been successfully used for generating realistic signals. Because the likelihood function is typically intractable in most of these models, the common practice is to use "implicit" models that avoid likelihood…

Machine Learning · Computer Science 2024-05-07 Itai Alon , Amir Globerson , Ami Wiesel

Accurate modelling and quantification of predictive uncertainty is crucial in deep learning since it allows a model to make safer decisions when the data is ambiguous and facilitates the users' understanding of the model's confidence in its…

Machine Learning · Statistics 2025-08-26 Soumyasundar Pal , Liheng Ma , Amine Natik , Yingxue Zhang , Mark Coates

The open-world test dataset is often mixed with out-of-distribution (OOD) samples, where the deployed models will struggle to make accurate predictions. Traditional detection methods need to trade off OOD detection and in-distribution (ID)…

Machine Learning · Computer Science 2024-04-25 Xu Shen , Yili Wang , Kaixiong Zhou , Shirui Pan , Xin Wang

Diffusion models, as a novel generative paradigm, have achieved remarkable success in various image generation tasks such as image inpainting, image-to-text translation, and video generation. Graph generation is a crucial computational task…

Machine Learning · Computer Science 2023-08-29 Chengyi Liu , Wenqi Fan , Yunqing Liu , Jiatong Li , Hang Li , Hui Liu , Jiliang Tang , Qing Li

In recent years, Graph Convolutional Networks (GCNs) have achieved great success in learning from graph-structured data. With the growing tendency of graph nodes and edges, GCN training by single processor cannot meet the demand for time…

Machine Learning · Computer Science 2021-10-08 Taige Zhao , Xiangyu Song , Jianxin Li , Wei Luo , Imran Razzak

Large-scale graphs are valuable for graph representation learning, yet the abundant data in these graphs hinders the efficiency of the training process. Graph condensation (GC) alleviates this issue by compressing the large graph into a…

Machine Learning · Computer Science 2024-07-11 Yilun Liu , Ruihong Qiu , Zi Huang

Pedestrian trajectory prediction is challenging due to its uncertain and multimodal nature. While generative adversarial networks can learn a distribution over future trajectories, they tend to predict out-of-distribution samples when the…

Computer Vision and Pattern Recognition · Computer Science 2021-08-23 Patrick Dendorfer , Sven Elflein , Laura Leal-Taixé

The dominant paradigm for machine learning on graphs uses Message Passing Graph Neural Networks (MP-GNNs), in which node representations are updated by aggregating information in their local neighborhood. Recently, there have been…

Machine Learning · Computer Science 2023-03-02 Daniel Glickman , Eran Yahav

Graph-level representation learning is important in a wide range of applications. Existing graph-level models are generally built on i.i.d. assumption for both training and testing graphs. However, in an open world, models can encounter…

Machine Learning · Computer Science 2024-07-19 Zhihao Ding , Jieming Shi , Shiqi Shen , Xuequn Shang , Jiannong Cao , Zhipeng Wang , Zhi Gong

Graph edit distance (GED) is an important similarity measure adopted in a similarity-based analysis between two graphs, and computing GED is a primitive operator in graph database analysis. Partially due to the NP-hardness, the existing…

Databases · Computer Science 2017-10-03 Lijun Chang , Xing Feng , Xuemin Lin , Lu Qin , Wenjie Zhang
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