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We present ConDiff, a novel dataset for scientific machine learning. ConDiff focuses on the parametric diffusion equation with space dependent coefficients, a fundamental problem in many applications of partial differential equations…

Machine Learning · Computer Science 2025-02-04 Vladislav Trifonov , Alexander Rudikov , Oleg Iliev , Yuri M. Laevsky , Ivan Oseledets , Ekaterina Muravleva

Deep neural networks have attained remarkable performance when applied to data that comes from the same distribution as that of the training set, but can significantly degrade otherwise. Therefore, detecting whether an example is…

Computer Vision and Pattern Recognition · Computer Science 2020-04-02 Yen-Chang Hsu , Yilin Shen , Hongxia Jin , Zsolt Kira

Node classification is one of the hottest tasks in graph analysis. Though existing studies have explored various node representations in directed and undirected graphs, they have overlooked the distinctions of their capabilities to capture…

Machine Learning · Computer Science 2023-12-07 Seiji Maekawa , Yuya Sasaki , Makoto Onizuka

Graph Convolutional Networks (GCNs) have recently attracted vast interest and achieved state-of-the-art performance on graphs, but its success could typically hinge on careful training with amounts of expensive and time-consuming labeled…

Machine Learning · Computer Science 2022-01-28 Hongrui Liu , Binbin Hu , Xiao Wang , Chuan Shi , Zhiqiang Zhang , Jun Zhou

Learning the embeddings for urban regions from human mobility data can reveal the functionality of regions, and then enables the correlated but distinct tasks such as crime prediction. Human mobility data contains rich but abundant…

Artificial Intelligence · Computer Science 2022-05-10 Shangbin Wu , Xu Yan , Xiaoliang Fan , Shirui Pan , Shichao Zhu , Chuanpan Zheng , Ming Cheng , Cheng Wang

Covariate shift relaxes the widely-employed independent and identically distributed (IID) assumption by allowing different training and testing input distributions. Unfortunately, common methods for addressing covariate shift by trying to…

Machine Learning · Computer Science 2018-01-02 Anqi Liu , Brian D. Ziebart

Recent interest in the external validity of prediction models (i.e., the problem of different train and test distributions, known as dataset shift) has produced many methods for finding predictive distributions that are invariant to dataset…

Machine Learning · Statistics 2022-07-20 Adarsh Subbaswamy , Bryant Chen , Suchi Saria

We consider multivariate two-sample tests of means, where the location shift between the two populations is expected to be related to a known graph structure. An important application of such tests is the detection of differentially…

Quantitative Methods · Quantitative Biology 2014-05-16 Laurent Jacob , Pierre Neuvial , Sandrine Dudoit

Continuous-time dynamic graphs (CTDGs) are essential for modeling interconnected, evolving systems. Traditional methods for extracting knowledge from these graphs often depend on feature engineering or deep learning. Feature engineering is…

Machine Learning · Computer Science 2024-11-08 Ahmad Naser Eddin , Jacopo Bono , David Aparício , Hugo Ferreira , Pedro Ribeiro , Pedro Bizarro

Graph domain adaptation (GDA) is a fundamental task in graph machine learning, with techniques like shift-robust graph neural networks (GNNs) and specialized training procedures to tackle the distribution shift problem. Although these…

Machine Learning · Computer Science 2025-10-27 Ting-Wei Li , Ruizhong Qiu , Hanghang Tong

Open set recognition (OSR) requires the model to classify samples that belong to closed sets while rejecting unknown samples during test. Currently, generative models often perform better than discriminative models in OSR, but recent…

Computer Vision and Pattern Recognition · Computer Science 2024-01-15 Yu Wang , Junxian Mu , Pengfei Zhu , Qinghua Hu

We consider the problem of certifying the robustness of deep neural networks against real-world distribution shifts. To do so, we bridge the gap between hand-crafted specifications and realistic deployment settings by proposing a novel…

Graph Transformers have garnered significant attention for learning graph-structured data, thanks to their superb ability to capture long-range dependencies among nodes. However, the quadratic space and time complexity hinders the…

Information Retrieval · Computer Science 2024-05-08 Huiyuan Chen , Zhe Xu , Chin-Chia Michael Yeh , Vivian Lai , Yan Zheng , Minghua Xu , Hanghang Tong

Multimodal Attributed Graphs (MMAGs) are an expressive data model for representing the complex interconnections among entities that associate attributes from multiple data modalities (text, images, etc.). Clustering over such data finds…

Machine Learning · Computer Science 2025-11-26 Haoran Zheng , Renchi Yang , Hongtao Wang , Jianliang Xu

Graph neural networks trained to predict observable dynamics can be used to decompose the temporal activity of complex heterogeneous systems into simple, interpretable representations. Here we apply this framework to simulated neural…

Neurons and Cognition · Quantitative Biology 2026-02-17 Cédric Allier , Larissa Heinrich , Magdalena Schneider , Stephan Saalfeld

Performance estimation under covariate shift is a crucial component of safe AI model deployment, especially for sensitive use-cases. Recently, several solutions were proposed to tackle this problem, most leveraging model predictions or…

Computer Vision and Pattern Recognition · Computer Science 2025-04-11 Mélanie Roschewitz , Ben Glocker

Multi-graph learning is crucial for extracting meaningful signals from collections of heterogeneous graphs. However, effectively integrating information across graphs with differing topologies, scales, and semantics, often in the absence of…

Machine Learning · Computer Science 2026-02-02 Zahra Moslemi , Ziyi Liang , Norbert Fortin , Babak Shahbaba

Time series forecasting is essential for our daily activities and precise modeling of the complex correlations and shared patterns among multiple time series is essential for improving forecasting performance. Spatial-Temporal Graph Neural…

Machine Learning · Computer Science 2024-06-19 Yue Jiang , Xiucheng Li , Yile Chen , Shuai Liu , Weilong Kong , Antonis F. Lentzakis , Gao Cong

A significant obstacle in the development of robust machine learning models is covariate shift, a form of distribution shift that occurs when the input distributions of the training and test sets differ while the conditional label…

Machine Learning · Statistics 2021-11-17 Nilesh Tripuraneni , Ben Adlam , Jeffrey Pennington

The present work deals with active sampling of graph nodes representing training data for binary classification. The graph may be given or constructed using similarity measures among nodal features. Leveraging the graph for classification…

Machine Learning · Statistics 2018-10-17 Dimitris Berberidis , Georgios B. Giannakis