相关论文: Rethinking Molecular OOD Generalization via Target…

Out-of-distribution (OOD) detection aims to detect "unknown" data whose labels have not been seen during the in-distribution (ID) training process. Recent progress in representation learning gives rise to distance-based OOD detection that…

Deep Learning models are easily disturbed by variations in the input images that were not seen during training, resulting in unpredictable behaviours. Such Out-of-Distribution (OOD) images represent a significant challenge in the context of…

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,…

Recent advances in end-to-end autonomous driving show that policies trained on patch-aligned features extracted from foundation models generalize better to Out-of-Distribution (OOD). We hypothesize that due to the self-attention mechanism,…

Out-of-distribution (OOD) detection identifies test samples that differ from the training data, which is critical to ensuring the safety and reliability of machine learning (ML) systems. While a plethora of methods have been developed to…

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…

Current out-of-distribution (OOD) detection benchmarks are commonly built by defining one dataset as in-distribution (ID) and all others as OOD. However, these benchmarks unfortunately introduce some unwanted and impractical goals, e.g., to…

We present SODA-MPC, a Safe, Out-of-Distribution-Adaptive Model Predictive Control algorithm, which uses an ensemble of learned models for prediction, with a runtime monitor to flag unreliable out-of-distribution (OOD) predictions. When an…

Out-of-distribution (OOD) detection is a crucial task for ensuring the reliability and robustness of machine learning models. Recent works have shown that generative models often assign high confidence scores to OOD samples, indicating that…

Existing Partial Label Learning (PLL) methods posit that training and test data adhere to the same distribution, a premise that frequently does not hold in practical application where Out-of-Distribution (OOD) objects are present. We…

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,…

Unsupervised domain adaptation (UDA) has been a vital protocol for migrating information learned from a labeled source domain to facilitate the implementation in an unlabeled heterogeneous target domain. Although UDA is typically jointly…

Out-of-distribution (OOD) detection aims to detect testing samples far away from the in-distribution (ID) training data, which is crucial for the safe deployment of machine learning models in the real world. Distance-based OOD detection…

Deep learning has been demonstrated with tremendous success in recent years. Despite so, its performance in practice often degenerates drastically when encountering out-of-distribution (OoD) data, i.e. training and test data are sampled…

The reliability of artificial intelligence (AI) systems in open-world settings depends heavily on their ability to flag out-of-distribution (OOD) inputs unseen during training. Recent advances in large-scale vision-language models (VLMs)…

Machine learning-assisted retrosynthesis prediction models have been gaining widespread adoption, though their performances oftentimes degrade significantly when deployed in real-world applications embracing out-of-distribution (OOD)…

Out-of-distribution (OOD) detection, which maps high-dimensional data into a scalar OOD score, is critical for the reliable deployment of machine learning models. A key challenge in recent research is how to effectively leverage and…

We use information-theoretic tools to derive a novel analysis of Multi-source Domain Adaptation (MDA) from the representation learning perspective. Concretely, we study joint distribution alignment for supervised MDA with few target labels…

Adapting large-scale pre-trained generative models in a parameter-efficient manner is gaining traction. Traditional methods like low rank adaptation achieve parameter efficiency by imposing constraints but may not be optimal for tasks…

Accurate de novo molecular and materials design requires structure-property models that generalize beyond known regimes. Although pretrained atomistic models achieve strong in-distribution accuracy after fine-tuning, their reliability under…