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As deep neural networks become adopted in high-stakes domains, it is crucial to identify when inference inputs are Out-of-Distribution (OOD) so that users can be alerted of likely drops in performance and calibration despite high confidence…

This paper addresses the challenge of out-of-distribution (OOD) generalization in graph machine learning, a field rapidly advancing yet grappling with the discrepancy between source and target data distributions. Traditional graph learning…

Robust prediction of molecular properties under extreme out-of-distribution (OOD) scenarios is a pivotal bottleneck in AI-driven drug discovery. Current scaffold-splitting protocols fail to obstruct microscopic semantic overlap,…

The safe deployment of machine learning and AI models in open-world settings hinges critically on the ability to detect out-of-distribution (OOD) data accurately, data samples that contrast vastly from what the model was trained with.…

In this paper, we study the OOD generalization of neural algorithmic reasoning tasks, where the goal is to learn an algorithm (e.g., sorting, breadth-first search, and depth-first search) from input-output pairs using deep neural networks.…

The study of optimal decision trees has gained increasing attention in recent years; however, despite substantial progress, it still suffers from two major challenges: First, trees constructed by existing optimal decision tree (ODT)…

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…

While artificial intelligence (AI)-based decision-making systems are increasingly popular, significant concerns on the potential discrimination during the AI decision-making process have been observed. For example, the distribution of…

Machine learning methods must be trusted to make appropriate decisions in real-world environments, even when faced with out-of-distribution (OOD) samples. Many current approaches simply aim to detect OOD examples and alert the user when an…

Out-of-distribution (OOD) generalization has gained increasing attentions for learning on graphs, as graph neural networks (GNNs) often exhibit performance degradation with distribution shifts. The challenge is that distribution shifts on…

The training and test data for deep-neural-network-based classifiers are usually assumed to be sampled from the same distribution. When part of the test samples are drawn from a distribution that is sufficiently far away from that of the…

Gradient-based meta-learning (GBML) algorithms are able to fast adapt to new tasks by transferring the learned meta-knowledge, while assuming that all tasks come from the same distribution (in-distribution, ID). However, in the real world,…

Recent advances in deep learning have led to breakthroughs in the development of automated skin disease classification. As we observe an increasing interest in these models in the dermatology space, it is crucial to address aspects such as…

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…

Classification tasks present challenges due to class imbalances and evolving data distributions. Addressing these issues requires a robust method to handle imbalances while effectively detecting out-of-distribution (OOD) samples not…

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…

Time series remains one of the most challenging modalities in machine learning research. The out-of-distribution (OOD) detection and generalization on time series tend to suffer due to its non-stationary property, i.e., the distribution…

Deep learning systems deployed in real-world applications often encounter data that is different from their in-distribution (ID). A reliable model should ideally abstain from making decisions in this out-of-distribution (OOD) setting.…

Models that surpass human performance on several popular benchmarks display significant degradation in performance on exposure to Out of Distribution (OOD) data. Recent research has shown that models overfit to spurious biases and `hack'…

Our goal is to perform out-of-distribution (OOD) detection, i.e., to detect when a robot is operating in environments drawn from a different distribution than the ones used to train the robot. We leverage Probably Approximately Correct…