Related papers: Known Unknowns: Out-of-Distribution Property Predi…

In real-world material research, machine learning (ML) models are usually expected to predict and discover novel exceptional materials that deviate from the known materials. It is thus a pressing question to provide an objective evaluation…

It is crucial to detect when an instance lies downright too far from the training samples for the machine learning model to be trusted, a challenge known as out-of-distribution (OOD) detection. For neural networks, one approach to this task…

The superior performance of object detectors is often established under the condition that the test samples are in the same distribution as the training data. However, in many practical applications, out-of-distribution (OOD) instances are…

The quantification of uncertainty is important for the adoption of machine learning, especially to reject out-of-distribution (OOD) data back to human experts for review. Yet progress has been slow, as a balance must be struck between…

The accurate prediction of material properties is crucial in a wide range of scientific and engineering disciplines. Machine learning (ML) has advanced the state of the art in this field, enabling scientists to discover novel materials and…

Data-driven molecular discovery leverages artificial intelligence/machine learning (AI/ML) and generative modeling to filter and design novel molecules. Discovering novel molecules requires accurate out-of-distribution (OOD) predictions,…

Recent object detectors have achieved impressive accuracy in identifying objects seen during training. However, real-world deployment often introduces novel and unexpected objects, referred to as out-of-distribution (OOD) objects, posing…

Out-of-distribution (OOD) detection is an important task in machine learning systems for ensuring their reliability and safety. Deep probabilistic generative models facilitate OOD detection by estimating the likelihood of a data sample.…

Robustness to out-of-distribution (OOD) samples is crucial for safely deploying machine learning models in the open world. Recent works have focused on designing scoring functions to quantify OOD uncertainty. Setting appropriate thresholds…

Out-of-distribution (OOD) detection is concerned with identifying data points that do not belong to the same distribution as the model's training data. For the safe deployment of predictive models in a real-world environment, it is critical…

For a machine learning model deployed in real world scenarios, the ability of detecting out-of-distribution (OOD) samples is indispensable and challenging. Most existing OOD detection methods focused on exploring advanced training skills or…

A widely recognized limitation of molecular prediction models is their reliance on structures observed in the training data, resulting in poor generalization to out-of-distribution compounds. Yet in drug discovery, the compounds most…

The prediction of material properties plays a crucial role in the development and discovery of materials in diverse applications, such as batteries, semiconductors, catalysts, and pharmaceuticals. Recently, there has been a growing interest…

Out-of-distribution (OOD) detection is a critical task for deploying machine learning models in the open world. Distance-based methods have demonstrated promise, where testing samples are detected as OOD if they are relatively far away from…

State-of-the-art Object Detection (OD) methods predominantly operate under a closed-world assumption, where test-time categories match those encountered during training. However, detecting and localizing unknown objects is crucial for…

Out-of-distribution (OOD) detection is committed to delineating the classification boundaries between in-distribution (ID) and OOD images. Recent advances in vision-language models (VLMs) have demonstrated remarkable OOD detection…

Accurate and explainable out-of-distribution (OOD) detection is required to use machine learning systems safely. Previous work has shown that feature distance to decision boundaries can be used to identify OOD data effectively. In this…

Detecting out-of-distribution (OOD) instances is crucial for the reliable deployment of machine learning models in real-world scenarios. OOD inputs are commonly expected to cause a more uncertain prediction in the primary task; however,…

Out-of-distribution (OOD) detection, crucial for reliable pattern classification, discerns whether a sample originates outside the training distribution. This paper concentrates on the high-dimensional features output by the final…

Predictive machine learning models generally excel on in-distribution data, but their performance degrades on out-of-distribution (OOD) inputs. Reliable deployment therefore requires robust OOD detection, yet this is particularly…