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相关论文: Rethinking Molecular OOD Generalization via Target…

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Out-of-distribution (OOD) detection is essential for reliable deployment of machine learning systems in vision, robotics, reinforcement learning, and beyond. We introduce Score-Curvature Out-of-distribution Proximity Evaluator for Diffusion…

机器学习 · 计算机科学 2025-10-06 Brett Barkley , Preston Culbertson , David Fridovich-Keil

Out-of-Distribution (OOD) detection is a cornerstone for the safe deployment of AI systems in the open world. However, existing methods treat OOD detection as a binary classification problem, a cognitive flattening that fails to distinguish…

机器学习 · 统计学 2025-10-16 Ningkang Peng , Yuzhe Mao , Yuhao Zhang , Linjin Qian , Qianfeng Yu , Yanhui Gu , Yi Chen , Li Kong

A well-known limitation of existing molecular generative models is that the generated molecules highly resemble those in the training set. To generate truly novel molecules that may have even better properties for de novo drug discovery,…

生物大分子 · 定量生物学 2023-06-06 Seul Lee , Jaehyeong Jo , Sung Ju Hwang

Out-of-distribution (OOD) detection is essential to prevent anomalous inputs from causing a model to fail during deployment. While improved OOD detection methods have emerged, they often rely on the final layer outputs and require a full…

计算机视觉与模式识别 · 计算机科学 2021-05-03 Ziqian Lin , Sreya Dutta Roy , Yixuan Li

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…

机器学习 · 统计学 2025-12-16 Min Lu , Hemant Ishwaran

Previous OOD detection systems only focus on the semantic gap between ID and OOD samples. Besides the semantic gap, we are faced with two additional gaps: the domain gap between source and target domains, and the class-imbalance gap between…

计算机视觉与模式识别 · 计算机科学 2026-05-26 Xiang Fang , Arvind Easwaran , Blaise Genest , Ponnuthurai Nagaratnam Suganthan

Out-of-Distribution (OOD) generalization, a cornerstone for building robust machine learning models capable of handling data diverging from the training set's distribution, is an ongoing challenge in deep learning. While significant…

机器学习 · 计算机科学 2023-12-05 Sergey Kolesnikov

In order to safely deploy Deep Neural Networks (DNNs) within the perception pipelines of real-time decision making systems, there is a need for safeguards that can detect out-of-training-distribution (OoD) inputs both efficiently and…

机器学习 · 计算机科学 2021-02-26 Apoorva Sharma , Navid Azizan , Marco Pavone

Out-of-distribution (OOD) detection is a well-known challenge due to deep models often producing overconfident. In this paper, we reveal a key insight that trained classifiers tend to rely on sparse parameter contribution patterns, meaning…

机器学习 · 计算机科学 2026-03-10 Haonan Xu , Yang Yang

A critical vulnerability of supervised deep learning in high-dimensional tabular domains is "generalization collapse": models form precise decision boundaries around known training distributions but fail catastrophically when encountering…

机器学习 · 计算机科学 2026-03-10 Rajeeb Thapa Chhetri , Saurab Thapa , Avinash Kumar , Zhixiong Chen

Detecting and rejecting unknown out-of-distribution (OOD) samples is critical for deployed neural networks to void unreliable predictions. In real-world scenarios, however, the efficacy of existing OOD detection methods is often impeded by…

计算机视觉与模式识别 · 计算机科学 2024-11-01 Kai Liu , Zhihang Fu , Sheng Jin , Chao Chen , Ze Chen , Rongxin Jiang , Fan Zhou , Yaowu Chen , Jieping Ye

Detecting out-of-distribution (OOD) samples is important for deploying machine learning models in safety-critical applications such as autonomous driving and robot-assisted surgery. Existing research has mainly focused on unimodal scenarios…

计算机视觉与模式识别 · 计算机科学 2024-10-29 Hao Dong , Yue Zhao , Eleni Chatzi , Olga Fink

Deep learning has achieved tremendous success with independent and identically distributed (i.i.d.) data. However, the performance of neural networks often degenerates drastically when encountering out-of-distribution (OoD) data, i.e., when…

机器学习 · 计算机科学 2022-04-01 Nanyang Ye , Kaican Li , Haoyue Bai , Runpeng Yu , Lanqing Hong , Fengwei Zhou , Zhenguo Li , Jun Zhu

Numerous machine learning (ML) models have been developed, including those for software engineering (SE) tasks, under the assumption that training and testing data come from the same distribution. However, training and testing distributions…

软件工程 · 计算机科学 2025-03-04 Yanfu Yan , Viet Duong , Huajie Shao , Denys Poshyvanyk

Large code datasets have become increasingly accessible for pre-training source code models. However, for the fine-tuning phase, obtaining representative training data that fully covers the code distribution for specific downstream tasks…

软件工程 · 计算机科学 2023-10-31 Hossein Hajipour , Ning Yu , Cristian-Alexandru Staicu , Mario Fritz

Out-of-distribution (OOD) detection is essential for ensuring the robustness of machine learning models by identifying samples that deviate from the training distribution. While traditional OOD detection has primarily focused on…

计算机视觉与模式识别 · 计算机科学 2024-11-14 Shawn Li , Huixian Gong , Hao Dong , Tiankai Yang , Zhengzhong Tu , Yue Zhao

Deep Neural Networks for classification behave unpredictably when confronted with inputs not stemming from the training distribution. This motivates out-of-distribution detection (OOD) mechanisms. The usual lack of prior information on…

机器学习 · 计算机科学 2022-03-02 Konstantin Kirchheim , Tim Gonschorek , Frank Ortmeier

How can models effectively detect out-of-distribution (OOD) samples in complex, multi-label settings without extensive retraining? Existing OOD detection methods struggle to capture the intricate semantic relationships and label…

计算机视觉与模式识别 · 计算机科学 2026-01-30 Zhendong Liu , Yi Nian , Yuehan Qin , Henry Peng Zou , Li Li , Xiyang Hu , Yue Zhao

Out-of-distribution (OOD) detection is crucial to modern deep learning applications by identifying and alerting about the OOD samples that should not be tested or used for making predictions. Current OOD detection methods have made…

机器学习 · 计算机科学 2023-09-22 Xinheng Wu , Jie Lu , Zhen Fang , Guangquan Zhang

Out-of-distribution (OOD) generalization in the graph domain is challenging due to complex distribution shifts and a lack of environmental contexts. Recent methods attempt to enhance graph OOD generalization by generating flat environments.…

机器学习 · 计算机科学 2024-06-04 Yinhua Piao , Sangseon Lee , Yijingxiu Lu , Sun Kim