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Learning generative models for graph-structured data is challenging because graphs are discrete, combinatorial, and the underlying data distribution is invariant to the ordering of nodes. However, most of the existing generative models for…

Machine Learning · Computer Science 2020-03-03 Chenhao Niu , Yang Song , Jiaming Song , Shengjia Zhao , Aditya Grover , Stefano Ermon

Spatio-temporal processes often exhibit highly heterogeneous and non-intuitive responses to localized disruptions, limiting the effectiveness of conventional message passing approaches in modeling local heterogeneity. We reformulate…

Machine Learning · Computer Science 2026-04-21 Abeer Mostafa , Raneen Younis , Zahra Ahmadi

One of the challenges for neural networks in real-life applications is the overconfident errors these models make when the data is not from the original training distribution. Addressing this issue is known as Out-of-Distribution (OOD)…

Computer Vision and Pattern Recognition · Computer Science 2024-07-24 Sina Sharifi , Taha Entesari , Bardia Safaei , Vishal M. Patel , Mahyar Fazlyab

A key challenge in graph out-of-distribution (OOD) detection lies in the absence of ground-truth OOD samples during training. Existing methods are typically optimized to capture features within the in-distribution (ID) data and calculate…

Machine Learning · Computer Science 2025-11-25 Yue Hou , Ruomei Liu , Yingke Su , Junran Wu , Ke Xu

Graph neural networks (GNNs) have achieved remarkable success in a variety of machine learning tasks over graph data. Existing GNNs usually rely on message passing, i.e., computing node representations by gathering information from the…

Machine Learning · Computer Science 2024-10-15 Junru Zhou , Cai Zhou , Xiyuan Wang , Pan Li , Muhan Zhang

Out-of-distribution (OOD) detection is essential for determining when a supervised model encounters inputs that differ meaningfully from its training distribution. While widely studied in classification, OOD detection for regression and…

Machine Learning · Statistics 2025-12-16 Min Lu , Hemant Ishwaran

Out-of-Distribution (OOD) detection is essential for the trustworthiness of AI systems. Methods using prior information (i.e., subspace-based methods) have shown effective performance by extracting information geometry to detect OOD data…

Computer Vision and Pattern Recognition · Computer Science 2025-06-25 Kaiyu Guo , Zijian Wang , Tan Pan , Brian C. Lovell , Mahsa Baktashmotlagh

Modeling the complex three-dimensional (3D) dynamics of relational systems is an important problem in the natural sciences, with applications ranging from molecular simulations to particle mechanics. Machine learning methods have achieved…

Graph Out-of-Distribution (OOD) classification often suffers from sharp performance drops, particularly under category imbalance and structural noise. This work tackles two pressing challenges in this context: (1) the underperformance of…

Machine Learning · Computer Science 2025-06-25 Yang Zhou , Xiaoning Ren

Deep neural networks (DNNs), while increasingly deployed in many applications, struggle with robustness against anomalous and out-of-distribution (OOD) data. Current OOD benchmarks often oversimplify, focusing on single-object tasks and not…

Computer Vision and Pattern Recognition · Computer Science 2024-09-30 Debargha Ganguly , Debayan Gupta , Vipin Chaudhary

Recent advances in Graph Neural Networks (GNNs) have revolutionized graph-structured data modeling, yet traditional GNNs struggle with complex heterogeneous structures prevalent in real-world scenarios. Despite progress in handling…

Machine Learning · Computer Science 2025-01-07 Zongwei Li , Lianghao Xia , Hua Hua , Shijie Zhang , Shuangyang Wang , Chao Huang

Prior research shows that differences in the early period of neural network training significantly impact the performance of in-distribution (ID) data of tasks. Yet, the implications of early learning dynamics on out-of-distribution (OOD)…

Machine Learning · Computer Science 2025-01-07 Chen Cecilia Liu , Iryna Gurevych

Out-of-Domain (OOD) generalization is the ability of a model trained on one or more domains to generalize to unseen domains. In the ImageNet era of computer vision, evaluation sets for measuring a model's OOD performance were designed to be…

Computer Vision and Pattern Recognition · Computer Science 2025-06-09 Prasanna Mayilvahanan , Roland S. Zimmermann , Thaddäus Wiedemer , Evgenia Rusak , Attila Juhos , Matthias Bethge , Wieland Brendel

Time series remains one of the most challenging modalities in machine learning research. The out-of-distribution (OOD) detection and generalization on time series tend to suffer due to its non-stationary property, i.e., the distribution…

Machine Learning · Computer Science 2023-08-07 Wang Lu , Jindong Wang , Xinwei Sun , Yiqiang Chen , Xiangyang Ji , Qiang Yang , Xing Xie

Modeling the evolution of system with time-series data is a challenging and critical task in a wide range of fields, especially when the time-series data is regularly sampled and partially observable. Some methods have been proposed to…

Machine Learning · Computer Science 2024-12-03 Mengbang Zou , Weisi Guo

Graph Neural Networks (GNNs) learn from graph-structured data by passing local messages between neighboring nodes along edges on certain topological layouts. Typically, these topological layouts in modern GNNs are deterministically computed…

Machine Learning · Computer Science 2024-02-27 Xinjian Zhao , Chaolong Ying , Tianshu Yu

Graphs are a fundamental abstraction for modeling relational data. However, graphs are discrete and combinatorial in nature, and learning representations suitable for machine learning tasks poses statistical and computational challenges. In…

Machine Learning · Statistics 2019-05-16 Aditya Grover , Aaron Zweig , Stefano Ermon

This paper addresses the problem of online network topology inference for expanding graphs from a stream of spatiotemporal signals. Online algorithms for dynamic graph learning are crucial in delay-sensitive applications or when changes in…

Machine Learning · Computer Science 2024-09-16 Samuel Rey , Bishwadeep Das , Elvin Isufi

There has been a growing interest in developing diffusion-based Graph Neural Networks (GNNs), building on the connections between message passing mechanisms in GNNs and physical diffusion processes. However, existing methods suffer from…

Machine Learning · Computer Science 2025-08-18 Asela Hevapathige , Asiri Wijesinghe , Ahad N. Zehmakan

Most graph neural network models learn embeddings of nodes in static attributed graphs for predictive analysis. Recent attempts have been made to learn temporal proximity of the nodes. We find that real dynamic attributed graphs exhibit…

Machine Learning · Computer Science 2020-07-28 Daheng Wang , Zhihan Zhang , Yihong Ma , Tong Zhao , Tianwen Jiang , Nitesh V. Chawla , Meng Jiang