相关论文: Optimizing OOD Detection in Molecular Graphs: A No…

Neural networks that are trained on limited category samples often mispredict out-of-distribution (OOD) objects. We observe that features of the same category are more tightly clustered in feature space, while those of different categories…

Distribution shifts on graphs -- the discrepancies in data distribution between training and employing a graph machine learning model -- are ubiquitous and often unavoidable in real-world scenarios. These shifts may severely deteriorate…

Detecting out-of-distribution (OOD) data is a fundamental challenge in the deployment of machine learning models. From a security standpoint, this is particularly important because OOD test data can result in misleadingly confident yet…

Out-of-distribution (OOD) generalization has emerged as a critical challenge in graph learning, as real-world graph data often exhibit diverse and shifting environments that traditional models fail to generalize across. A promising solution…

One of the early weaknesses identified in deep neural networks trained for image classification tasks was their inability to provide low confidence predictions on out-of-distribution (OOD) data that was significantly different from the…

Detecting out-of-distribution (OOD) samples are crucial for machine learning models deployed in open-world environments. Classifier-based scores are a standard approach for OOD detection due to their fine-grained detection capability.…

High-performing out-of-distribution (OOD) detection, both anomaly and novel class, is an important prerequisite for the practical use of classification models. In this paper, we focus on the species recognition task in images concerned with…

The distributionally robust optimization (DRO)-based graph neural network methods improve recommendation systems' out-of-distribution (OOD) generalization by optimizing the model's worst-case performance. However, these studies fail to…

Out-of-distribution (OOD) detection discerns OOD data where the predictor cannot make valid predictions as in-distribution (ID) data, thereby increasing the reliability of open-world classification. However, it is typically hard to collect…

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,…

Unsupervised Out-of-Distribution (OOD) detection consists in identifying anomalous regions in images leveraging only models trained on images of healthy anatomy. An established approach is to tokenize images and model the distribution of…

Out-of-Distribution(OOD) detection, a fundamental machine learning task aimed at identifying abnormal samples, traditionally requires model retraining for different inlier distributions. While recent research demonstrates the applicability…

Deep Learning models are easily disturbed by variations in the input images that were not observed during the training stage, resulting in unpredictable predictions. Detecting such Out-of-Distribution (OOD) images is particularly crucial in…

Traditional machine learning methods heavily rely on the independent and identically distribution assumption, which imposes limitations when the test distribution deviates from the training distribution. To address this crucial issue,…

Out-of-distribution (OOD) detection is a critical task for ensuring the reliability and safety of deep neural networks in real-world scenarios. Different from most previous OOD detection methods that focus on designing OOD scores or…

Out-of-distribution (OoD) detection is a natural downstream task for deep generative models, due to their ability to learn the input probability distribution. There are mainly two classes of approaches for OoD detection using deep…

AI-aided drug discovery (AIDD) is gaining increasing popularity due to its promise of making the search for new pharmaceuticals quicker, cheaper and more efficient. In spite of its extensive use in many fields, such as ADMET prediction,…

Out-of-distribution (OOD) detection lies at the heart of robust artificial intelligence (AI), aiming to identify samples from novel distributions beyond the training set. Recent approaches have exploited feature representations as…

Out-of-distribution (OOD) detection is vital to safety-critical machine learning applications and has thus been extensively studied, with a plethora of methods developed in the literature. However, the field currently lacks a unified,…

In this paper, we present a novel approach that combines deep metric learning and synthetic data generation using diffusion models for out-of-distribution (OOD) detection. One popular approach for OOD detection is outlier exposure, where…