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Graph neural networks (GNNs) are powerful machine learning models designed to handle irregularly structured data. However, their generic design often proves inadequate for analyzing brain connectomes in Alzheimer's Disease (AD),…

机器学习 · 计算机科学 2024-12-10 Zhepeng Wang , Runxue Bao , Yawen Wu , Guodong Liu , Lei Yang , Liang Zhan , Feng Zheng , Weiwen Jiang , Yanfu Zhang

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

Systematic, compositional generalization beyond the training distribution remains a core challenge in machine learning -- and a critical bottleneck for the emergent reasoning abilities of modern language models. This work investigates…

机器学习 · 计算机科学 2025-10-17 Awni Altabaa , Siyu Chen , John Lafferty , Zhuoran Yang

Out-of-distribution (OOD) detection remains challenging in text-rich networks, where textual features intertwine with topological structures. Existing methods primarily address label shifts or rudimentary domain-based splits, overlooking…

计算与语言 · 计算机科学 2025-09-03 Danny Wang , Ruihong Qiu , Guangdong Bai , Zi Huang

Modern neuroimaging techniques, such as diffusion tensor imaging (DTI) and functional magnetic resonance imaging (fMRI), enable us to model the human brain as a brain network or connectome. Capturing brain networks' structural information…

Deep neural networks are susceptible to generating overconfident yet erroneous predictions when presented with data beyond known concepts. This challenge underscores the importance of detecting out-of-distribution (OOD) samples in the open…

计算机视觉与模式识别 · 计算机科学 2023-08-31 Yiye Chen , Yunzhi Lin , Ruinian Xu , Patricio A. Vela

Given the critical role of graphs in real-world applications and their high-security requirements, improving the ability of graph neural networks (GNNs) to detect out-of-distribution (OOD) data is an urgent research problem. The recent work…

机器学习 · 计算机科学 2025-04-21 Shenzhi Yang , Bin Liang , An Liu , Lin Gui , Xingkai Yao , Xiaofang Zhang

Most existing deep learning models are trained based on the closed-world assumption, where the test data is assumed to be drawn i.i.d. from the same distribution as the training data, known as in-distribution (ID). However, when models are…

机器学习 · 计算机科学 2022-11-09 Yixin Liu , Kaize Ding , Huan Liu , Shirui Pan

Out-of-distribution (OOD) detection is important for deploying machine learning models in the real world, where test data from shifted distributions can naturally arise. While a plethora of algorithmic approaches have recently emerged for…

机器学习 · 计算机科学 2021-12-03 Peyman Morteza , Yixuan Li

A large number of studies on Graph Outlier Detection (GOD) have emerged in recent years due to its wide applications, in which Unsupervised Node Outlier Detection (UNOD) on attributed networks is an important area. UNOD focuses on detecting…

机器学习 · 计算机科学 2024-06-04 Yihong Huang , Liping Wang , Fan Zhang , Xuemin Lin

Methods which utilize the outputs or feature representations of predictive models have emerged as promising approaches for out-of-distribution (OOD) detection of image inputs. However, these methods struggle to detect OOD inputs that share…

机器学习 · 计算机科学 2023-02-09 Lily H. Zhang , Rajesh Ranganath

We explore the utility of information contained within a dropout based Bayesian neural network (BNN) for the task of detecting out of distribution (OOD) data. We first show how previous attempts to leverage the randomized embeddings induced…

机器学习 · 计算机科学 2022-02-21 Andre T. Nguyen , Fred Lu , Gary Lopez Munoz , Edward Raff , Charles Nicholas , James Holt

Out-of-distribution (OOD) detection is a critical issue for the stable and reliable operation of systems using a deep neural network (DNN). Although many OOD detection methods have been proposed, it remains unclear how the differences…

机器学习 · 计算机科学 2024-10-30 Kazuki Uematsu , Kosuke Haruki , Taiji Suzuki , Mitsuhiro Kimura , Takahiro Takimoto , Hideyuki Nakagawa

Deep neural networks (DNNs) often exhibit overconfidence when encountering out-of-distribution (OOD) samples, posing significant challenges for deployment. Since DNNs are trained on in-distribution (ID) datasets, the information flow of ID…

计算机视觉与模式识别 · 计算机科学 2025-04-07 Guide Yang , Chao Hou , Weilong Peng , Xiang Fang , Yongwei Nie , Peican Zhu , Keke Tang

Out-of-Distribution (OOD) detection is critical to AI reliability and safety, yet in many practical settings, only a limited amount of training data is available. Bayesian Neural Networks (BNNs) are a promising class of model on which to…

机器学习 · 计算机科学 2026-02-12 Kevin Raina , Tanya Schmah

Deep neural networks (DNNs), especially convolutional neural networks, have achieved superior performance on image classification tasks. However, such performance is only guaranteed if the input to a trained model is similar to the training…

计算机视觉与模式识别 · 计算机科学 2021-01-28 Liang Liang , Linhai Ma , Linchen Qian , Jiasong Chen

Developing a new diagnostic models based on the underlying biological mechanisms rather than subjective symptoms for psychiatric disorders is an emerging consensus. Recently, machine learning-based classifiers using functional connectivity…

信号处理 · 电气工程与系统科学 2024-10-14 Kaizhong Zheng , Shujian Yu , Baojuan Li , Robert Jenssen , Badong Chen

Unsupervised graph anomaly detection aims at identifying rare patterns that deviate from the majority in a graph without the aid of labels, which is important for a variety of real-world applications. Recent advances have utilized Graph…

机器学习 · 计算机科学 2025-05-27 Yuanchen Bei , Sheng Zhou , Jinke Shi , Yao Ma , Haishuai Wang , Jiajun Bu

Graph Neural Networks (GNNs) have achieved significant success in machine learning, with wide applications in social networks, bioinformatics, knowledge graphs, and other fields. Most research assumes ideal closed-set environments. However,…

机器学习 · 计算机科学 2025-03-04 Yicong Dong , Rundong He , Guangyao Chen , Wentao Zhang , Zhongyi Han , Jieming Shi , Yilong Yin

Thanks to graph neural networks (GNNs), semi-supervised node classification has shown the state-of-the-art performance in graph data. However, GNNs have not considered different types of uncertainties associated with class probabilities to…

机器学习 · 计算机科学 2020-11-26 Xujiang Zhao , Feng Chen , Shu Hu , Jin-Hee Cho