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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,…

Out-of-distribution detection is an important capability that has long eluded vanilla neural networks. Deep Neural networks (DNNs) tend to generate over-confident predictions when presented with inputs that are significantly…

Uncertainty estimation is crucial for machine learning models to detect out-of-distribution (OOD) inputs. However, the conventional discriminative deep learning classifiers produce uncalibrated closed-set predictions for OOD data. A more…

We expect the generalization error to improve with more samples from a similar task, and to deteriorate with more samples from an out-of-distribution (OOD) task. In this work, we show a counter-intuitive phenomenon: the generalization error…

The astonishing successes of ML have raised growing concern for the fairness of modern methods when deployed in real world settings. However, studies on fairness have mostly focused on supervised ML, while unsupervised outlier detection…

Out-of-distribution (OOD) detection is essential for the reliability of ML models. Most existing methods for OOD detection learn a fixed decision criterion from a given in-distribution dataset and apply it universally to decide if a data…

Most classification and segmentation datasets assume a closed-world scenario in which predictions are expressed as distribution over a predetermined set of visual classes. However, such assumption implies unavoidable and often unnoticeable…

Under the framework of spectral clustering, the key of subspace clustering is building a similarity graph which describes the neighborhood relations among data points. Some recent works build the graph using sparse, low-rank, and…

As the data demand for deep learning models increases, active learning (AL) becomes essential to strategically select samples for labeling, which maximizes data efficiency and reduces training costs. Real-world scenarios necessitate the…

Likelihood-based generative models are a promising resource to detect out-of-distribution (OOD) inputs which could compromise the robustness or reliability of a machine learning system. However, likelihoods derived from such models have…

Out-of-distribution (OOD) detection is an indispensable aspect of secure AI when deploying machine learning models in real-world applications. Previous paradigms either explore better scoring functions or utilize the knowledge of outliers…

Combining discovery and augmentation is important in the era of data usage when it comes to predicting the outcome of tasks. However, having to ask the user the utility function to discover the goal to achieve the optimal small rightful…

Uncertainty estimation is an essential and heavily-studied component for the reliable application of semantic segmentation methods. While various studies exist claiming methodological advances on the one hand, and successful application on…

Detecting out-of-distribution (OOD) inputs is a central challenge for safely deploying machine learning models in the real world. Existing solutions are mainly driven by small datasets, with low resolution and very few class labels (e.g.,…

Out-Of-Distribution (OOD) detection has received broad attention over the years, aiming to ensure the reliability and safety of deep neural networks (DNNs) in real-world scenarios by rejecting incorrect predictions. However, we notice a…

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)…

Effective out-of-distribution (OOD) detection is crucial for reliable machine learning models, yet most current methods are limited in practical use due to requirements like access to training data or intervention in training. We present a…

Data valuation is a class of techniques for quantitatively assessing the value of data for applications like pricing in data marketplaces. Existing data valuation methods define a value for a discrete dataset. However, in many use cases,…

One of the challenges for neural networks in real-life applications is the overconfident errors these models make when the data is not from the original training distribution. Addressing this issue is known as Out-of-Distribution (OOD)…

A scientific phenomenon under study may often be manifested by data arising from processes, i.e. sources, that may describe this phenomenon. In this contex of multi-source data, we define the "out-of-source" error, that is the error…