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Modern machine learning methods including deep learning have achieved great success in predictive accuracy for supervised learning tasks, but may still fall short in giving useful estimates of their predictive {\em uncertainty}. Quantifying…

Reliable uncertainty estimates are an important tool for helping autonomous agents or human decision makers understand and leverage predictive models. However, existing approaches to estimating uncertainty largely ignore the possibility of…

Machine Learning · Computer Science 2020-05-22 Sangdon Park , Osbert Bastani , James Weimer , Insup Lee

The estimation of uncertainties associated with predictions from quantitative structure-activity relationship (QSAR) models can accelerate the drug discovery process by identifying promising experiments and allowing an efficient allocation…

Machine Learning · Computer Science 2025-02-07 Hannah Rosa Friesacher , Emma Svensson , Susanne Winiwarter , Lewis Mervin , Adam Arany , Ola Engkvist

Discourse analysis allows us to attain inferences of a text document that extend beyond the sentence-level. The current performance of discourse models is very low on texts outside of the training distribution's coverage, diminishing the…

Computation and Language · Computer Science 2022-03-23 Katherine Atwell , Anthony Sicilia , Seong Jae Hwang , Malihe Alikhani

Most research designing novel predictive models, or employing existing ones, assumes that training and testing data are independent and identically distributed. In practice, the data encountered at serving time often deviate from the…

Machine Learning · Computer Science 2026-03-30 Hanyu Duan , Yi Yang , Ahmed Abbasi , Kar Yan Tam

Deep learning (DL) techniques have achieved great success in predictive accuracy in a variety of tasks, but deep neural networks (DNNs) are shown to produce highly overconfident scores for even abnormal samples. Well-defined uncertainty…

Machine Learning · Computer Science 2021-07-26 Yufei Li , Simin Chen , Wei Yang

Effective interlocutors account for the uncertain goals, beliefs, and emotions of others. But even the best human conversationalist cannot perfectly anticipate the trajectory of a dialogue. How well can language models represent inherent…

Computation and Language · Computer Science 2024-02-06 Anthony Sicilia , Hyunwoo Kim , Khyathi Raghavi Chandu , Malihe Alikhani , Jack Hessel

Recent work has shown that the performance of machine learning models can vary substantially when models are evaluated on data drawn from a distribution that is close to but different from the training distribution. As a result, predicting…

Machine Learning · Computer Science 2021-08-23 Devin Guillory , Vaishaal Shankar , Sayna Ebrahimi , Trevor Darrell , Ludwig Schmidt

Most machine learning models operate under the assumption that the training, testing and deployment data is independent and identically distributed (i.i.d.). This assumption doesn't generally hold true in a natural setting. Usually, the…

Machine Learning · Computer Science 2021-12-14 Kumud Lakara , Akshat Bhandari , Pratinav Seth , Ujjwal Verma

In this paper, we present results on improving out-of-domain weather prediction and uncertainty estimation as part of the \texttt{Shifts Challenge on Robustness and Uncertainty under Real-World Distributional Shift} challenge. We find that…

Machine Learning · Computer Science 2024-01-10 Sankalp Gilda , Neel Bhandari , Wendy Mak , Andrea Panizza

As input data distributions evolve, the predictive performance of machine learning models tends to deteriorate. In practice, new input data tend to come without target labels. Then, state-of-the-art techniques model input data distributions…

Machine Learning · Computer Science 2023-09-08 Carlos Mougan , Klaus Broelemann , David Masip , Gjergji Kasneci , Thanassis Thiropanis , Steffen Staab

Neural networks make accurate predictions but often fail to provide reliable uncertainty estimates, especially under covariate distribution shifts between training and testing. To address this problem, we propose a Bayesian framework for…

Machine Learning · Statistics 2025-12-22 Yuli Slavutsky , David M. Blei

Distribution-free prediction sets play a pivotal role in uncertainty quantification for complex statistical models. Their validity hinges on reliable calibration data, which may not be readily available as real-world environments often…

Methodology · Statistics 2024-06-11 Elise Han , Chengpiao Huang , Kaizheng Wang

There has been significant research done on developing methods for improving robustness to distributional shift and uncertainty estimation. In contrast, only limited work has examined developing standard datasets and benchmarks for…

A probabilistic model is said to be calibrated if its predicted probabilities match the corresponding empirical frequencies. Calibration is important for uncertainty quantification and decision making in safety-critical applications. While…

Machine Learning · Computer Science 2020-07-01 Anusri Pampari , Stefano Ermon

Large Language Models (LLMs) have been widely employed in programming language analysis to enhance human productivity. Yet, their reliability can be compromised by various code distribution shifts, leading to inconsistent outputs. While…

Software Engineering · Computer Science 2024-02-12 Yufei Li , Simin Chen , Yanghong Guo , Wei Yang , Yue Dong , Cong Liu

A set of novel approaches for estimating epistemic uncertainty in deep neural networks with a single forward pass has recently emerged as a valid alternative to Bayesian Neural Networks. On the premise of informative representations, these…

Computer Vision and Pattern Recognition · Computer Science 2022-07-06 Janis Postels , Mattia Segu , Tao Sun , Luca Sieber , Luc Van Gool , Fisher Yu , Federico Tombari

Data-driven modeling is useful for reconstructing nonlinear dynamical systems when the underlying process is unknown or too expensive to compute. Having reliable uncertainty assessment of the forecast enables tools to be deployed to predict…

Methodology · Statistics 2023-11-01 Mengyang Gu , Yizi Lin , Victor Chang Lee , Diana Qiu

We address the problem of uncertainty calibration. While standard deep neural networks typically yield uncalibrated predictions, calibrated confidence scores that are representative of the true likelihood of a prediction can be achieved…

Machine Learning · Computer Science 2021-06-24 Christian Tomani , Sebastian Gruber , Muhammed Ebrar Erdem , Daniel Cremers , Florian Buettner

Deep learning has shown tremendous progress in a wide range of digital pathology and medical image classification tasks. Its integration into safe clinical decision-making support requires robust and reliable models. However, real-world…

Image and Video Processing · Electrical Eng. & Systems 2024-08-19 Abdur R. Fayjie , Jutika Borah , Florencia Carbone , Jan Tack , Patrick Vandewalle
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