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A key feature of out-of-distribution (OOD) detection is to exploit a trained neural network by extracting statistical patterns and relationships through the multi-layer classifier to detect shifts in the expected input data distribution.…

机器学习 · 计算机科学 2023-06-07 Eduardo Dadalto , Pierre Colombo , Guillaume Staerman , Nathan Noiry , Pablo Piantanida

Out-of-distribution (OOD) detection is crucial to safety-critical machine learning applications and has been extensively studied. While recent studies have predominantly focused on classifier-based methods, research on deep generative model…

机器学习 · 计算机科学 2024-02-19 Genki Osada , Tsubasa Takahashi , Takashi Nishide

Graph anomaly detection (GAD) is crucial in applications like fraud detection and cybersecurity. Despite recent advancements using graph neural networks (GNNs), two major challenges persist. At the model level, most methods adopt a…

机器学习 · 计算机科学 2026-02-06 Chunyu Wei , Siyuan He , Yu Wang , Yueguo Chen , Yunhai Wang , Bing Bai , Yidong Zhang , Yong Xie , Shunming Zhang , Fei Wang

Deep Learning models possess two key traits that, in combination, make their use in the real world a risky prospect. One, they do not typically generalize well outside of the distribution for which they were trained, and two, they tend to…

机器学习 · 计算机科学 2021-09-29 Jonathan S. Kent , Bo Li

Deep learning (DL) has driven broad advances across scientific and engineering domains. Despite its success, DL models often exhibit limited interpretability and generalization, which can undermine trust, especially in safety-critical…

机器学习 · 计算机科学 2026-01-14 Atefeh Termehchi , Ekram Hossain , Isaac Woungang

Machine learning models often fail to generalize well under distributional shifts. Understanding and overcoming these failures have led to a research field of Out-of-Distribution (OOD) generalization. Despite being extensively studied for…

Neural networks (NNs), despite their success and wide adoption, still struggle to extrapolate out-of-distribution (OOD), i.e., to inputs that are not well-represented by their training dataset. Addressing the OOD generalization gap is…

机器学习 · 计算机科学 2025-04-01 Robert R. Nerem , Samantha Chen , Sanjoy Dasgupta , Yusu Wang

Background. Commonly, Deep Neural Networks (DNNs) generalize well on samples drawn from a distribution similar to that of the training set. However, DNNs' predictions are brittle and unreliable when the test samples are drawn from a…

机器学习 · 计算机科学 2022-04-01 Matan Haroush , Tzviel Frostig , Ruth Heller , Daniel Soudry

Explainability of graph neural networks (GNNs) aims to answer "Why the GNN made a certain prediction?", which is crucial to interpret the model prediction. The feature attribution framework distributes a GNN's prediction to its input…

机器学习 · 计算机科学 2022-02-02 Ying-Xin Wu , Xiang Wang , An Zhang , Xia Hu , Fuli Feng , Xiangnan He , Tat-Seng Chua

Drug synergy prediction (DSP) aims to identify efficacious drug combinations under various cellular contexts with different targets. However, the continual emergence of novel compounds results in variations in molecular scaffolds and sizes,…

机器学习 · 计算机科学 2026-05-29 Xin Wang , Linxin Xiao , Yang Yao , Wenwu Zhu

Recent years have witnessed significant progress in the development of machine learning models across a wide range of fields, fueled by increased computational resources, large-scale datasets, and the rise of deep learning architectures.…

Existing Out-of-Distribution (OoD) detection methods address to detect OoD samples from In-Distribution (InD) data mainly by exploring differences in features, logits and gradients in Deep Neural Networks (DNNs). We in this work propose a…

机器学习 · 计算机科学 2024-07-17 Kun Fang , Qinghua Tao , Xiaolin Huang , Jie Yang

Graph neural networks (GNNs) model nonlinear representations in graph data with applications in distributed agent coordination, control, and planning among others. Current GNN architectures assume ideal scenarios and ignore link…

信号处理 · 电气工程与系统科学 2021-09-01 Zhan Gao , Elvin Isufi , Alejandro Ribeiro

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)…

机器学习 · 计算机科学 2024-04-25 Xu Shen , Yili Wang , Kaixiong Zhou , Shirui Pan , Xin Wang

Deep neural networks often struggle to recognize when an input lies outside their training experience, leading to unreliable and overconfident predictions. Building dependable machine learning systems therefore requires methods that can…

机器学习 · 计算机科学 2025-12-02 Pirzada Suhail , Rehna Afroz , Amit Sethi

Many real-world scenarios in which DNN-based recognition systems are deployed have inherently fine-grained attributes (e.g., bird-species recognition, medical image classification). In addition to achieving reliable accuracy, a critical…

机器学习 · 计算机科学 2022-10-21 Jingyang Zhang , Nathan Inkawhich , Randolph Linderman , Yiran Chen , Hai Li

Graphs are a highly expressive abstraction for modeling entities and their relations, such as molecular structures, social networks, and traffic networks. Deep Graph Networks (DGNs) have emerged as a family of deep learning models that can…

机器学习 · 计算机科学 2024-10-16 Alessio Gravina

Graph Neural Networks (GNN) have recently gained popularity in the forecasting domain due to their ability to model complex spatial and temporal patterns in tasks such as traffic forecasting and region-based demand forecasting. Most of…

机器学习 · 计算机科学 2023-12-08 Abishek Sriramulu , Nicolas Fourrier , Christoph Bergmeir

In the era of foundation models, Out-of- Distribution (OOD) problems, i.e., the data discrepancy between the training environments and testing environments, hinder AI generalization. Further, relational data like graphs disobeying the…

机器学习 · 计算机科学 2025-06-02 Katherine Tieu , Dongqi Fu , Jun Wu , Jingrui He

The convenience of 3D sensors has led to an increase in the use of 3D point clouds in various applications. However, the differences in acquisition devices or scenarios lead to divergence in the data distribution of point clouds, which…

计算机视觉与模式识别 · 计算机科学 2024-01-09 Zhimin Zhang , Xiang Gao , Wei Hu