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Weather forecasting is usually solved through numerical weather prediction (NWP), which can sometimes lead to unsatisfactory performance due to inappropriate setting of the initial states. In this paper, we design a data-driven method…

Machine Learning · Computer Science 2019-02-05 Bin Wang , Jie Lu , Zheng Yan , Huaishao Luo , Tianrui Li , Yu Zheng , Guangquan Zhang

Uncertainty quantification is crucial for building reliable and trustable machine learning systems. We propose to estimate uncertainty in recurrent neural networks (RNNs) via stochastic discrete state transitions over recurrent timesteps.…

Machine Learning · Computer Science 2020-11-25 Cheng Wang , Carolin Lawrence , Mathias Niepert

Model calibration is essential for ensuring that the predictions of deep neural networks accurately reflect true probabilities in real-world classification tasks. However, deep networks often produce over-confident or under-confident…

Machine Learning · Computer Science 2025-04-01 Jinxu Lin , Linwei Tao , Minjing Dong , Chang Xu

The use of Deep Neural Network (DNN) models in risk-based decision-making has attracted extensive attention with broad applications in medical, finance, manufacturing, and quality control. To mitigate prediction-related risks in decision…

Machine Learning · Statistics 2023-10-11 Maryam Kheirandish , Shengfan Zhang , Donald G. Catanzaro , Valeriu Crudu

Advances in deep neural network (DNN) based molecular property prediction have recently led to the development of models of remarkable accuracy and generalization ability, with graph convolution neural networks (GCNNs) reporting…

Machine Learning · Computer Science 2019-10-09 Gabriele Scalia , Colin A. Grambow , Barbara Pernici , Yi-Pei Li , William H. Green

The fusion of raw sensor data to create a Bird's Eye View (BEV) representation is critical for autonomous vehicle planning and control. Despite the growing interest in using deep learning models for BEV semantic segmentation, anticipating…

Machine Learning · Computer Science 2025-03-04 Linlin Yu , Bowen Yang , Tianhao Wang , Kangshuo Li , Feng Chen

Uncertainty is a fundamental aspect of real-world scenarios, where perfect information is rarely available. Humans naturally develop complex internal models to navigate incomplete data and effectively respond to unforeseen or partially…

Machine Learning · Computer Science 2025-08-08 Wenhao Liang , Chang Dong , Liangwei Zheng , Wei Zhang , Weitong Chen

Deep learning has achieved impressive performance on many tasks in recent years. However, it has been found that it is still not enough for deep neural networks to provide only point estimates. For high-risk tasks, we need to assess the…

Machine Learning · Computer Science 2021-04-28 Yuandu Lai , Yucheng Shi , Yahong Han , Yunfeng Shao , Meiyu Qi , Bingshuai Li

Among the many ways of quantifying uncertainty in a regression setting, specifying the full quantile function is attractive, as quantiles are amenable to interpretation and evaluation. A model that predicts the true conditional quantiles…

Machine Learning · Computer Science 2021-12-10 Youngseog Chung , Willie Neiswanger , Ian Char , Jeff Schneider

Probabilistic prediction of sequences from images and other high-dimensional data is a key challenge, particularly in risk-sensitive applications. In these settings, it is often desirable to quantify the uncertainty associated with the…

Machine Learning · Computer Science 2024-10-31 Qidong Yang , Weicheng Zhu , Joseph Keslin , Laure Zanna , Tim G. J. Rudner , Carlos Fernandez-Granda

I introduce two novel loss functions for classification in deep learning. The two loss functions extend standard cross entropy loss by regularizing it with minimum entropy and Kullback-Leibler (K-L) divergence terms. The first of the two…

Computer Vision and Pattern Recognition · Computer Science 2025-01-24 Abdulrahman Oladipupo Ibraheem

We propose a learning framework for calibrating predictive models to make loss-controlling prediction for exchangeable data, which extends our recently proposed conformal loss-controlling prediction for more general cases. By comparison,…

Machine Learning · Computer Science 2024-01-24 Di Wang , Junzhi Shi , Pingping Wang , Shuo Zhuang , Hongyue Li

Uncertainty quantification in automated image analysis is highly desired in many applications. Typically, machine learning models in classification or segmentation are only developed to provide binary answers; however, quantifying the…

In neural machine translation, cross entropy (CE) is the standard loss function in two training methods of auto-regressive models, i.e., teacher forcing and scheduled sampling. In this paper, we propose mixed cross entropy loss (mixed CE)…

Computation and Language · Computer Science 2021-07-01 Haoran Li , Wei Lu

Trustworthiness in neural networks is crucial for their deployment in critical applications, where reliability, confidence, and uncertainty play pivotal roles in decision-making. Traditional performance metrics such as accuracy and…

Machine Learning · Computer Science 2025-09-05 Koffi Ismael Ouattara , Ioannis Krontiris , Theo Dimitrakos , Frank Kargl

Conformal unlearning aims to ensure that a trained conformal predictor miscovers data points with specific shared characteristics, such as those from a particular label class, associated with a specific user, or belonging to a defined…

Machine Learning · Computer Science 2026-02-13 Yahya Alkhatib , Muhammad Ahmar Jamal , Wee Peng Tay

In system analysis and design optimization, multiple computational models are typically available to represent a given physical system. These models can be broadly classified as high-fidelity models, which provide highly accurate…

Machine Learning · Computer Science 2024-11-01 Ruda Zhang , Negin Alemazkoor

Operator learning has been increasingly adopted in scientific and engineering applications, many of which require calibrated uncertainty quantification. Since the output of operator learning is a continuous function, quantifying uncertainty…

Machine Learning · Computer Science 2024-02-07 Ziqi Ma , Kamyar Azizzadenesheli , Anima Anandkumar

Although deep neural networks (DNNs) achieve high predictive accuracy, their confidence estimates are often unreliable, potentially compromising user trust in their decisions. This has motivated research on calibrated models, where…

Machine Learning · Computer Science 2026-05-25 Ramya Hebbalaguppe , Ajay Shastry , Soumya Suvra Ghosal , Chetan Arora

Neural network classifiers trained with cross-entropy loss achieve strong predictive accuracy but lack the capability to provide inherent predictive uncertainty estimates, thus requiring external techniques to obtain these estimates. In…

Machine Learning · Statistics 2026-04-08 Courtney Franzen , Farhad Pourkamali-Anaraki