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Deep learning has emerged as a promising paradigm to give access to highly accurate predictions of molecular and materials properties. A common short-coming shared by current approaches, however, is that neural networks only give point…

Computational Physics · Physics 2023-05-10 Albert Zhu , Simon Batzner , Albert Musaelian , Boris Kozinsky

Though remarkable progress has been achieved in various vision tasks, deep neural networks still suffer obvious performance degradation when tested in out-of-distribution scenarios. We argue that the feature statistics (mean and standard…

Computer Vision and Pattern Recognition · Computer Science 2022-04-25 Xiaotong Li , Yongxing Dai , Yixiao Ge , Jun Liu , Ying Shan , Ling-Yu Duan

In stochastic simulation, input uncertainty refers to the output variability arising from the statistical noise in specifying the input models. This uncertainty can be measured by a variance contribution in the output, which, in the…

Methodology · Statistics 2021-05-20 Henry Lam , Huajie Qian

Deep neural networks rely heavily on normalization methods to improve their performance and learning behavior. Although normalization methods spurred the development of increasingly deep and efficient architectures, they also increase the…

Machine Learning · Computer Science 2021-10-06 Alexander Fuchs , Christian Knoll , Franz Pernkopf

Recent works (e.g., (Li and Arora, 2020)) suggest that the use of popular normalization schemes (including Batch Normalization) in today's deep learning can move it far from a traditional optimization viewpoint, e.g., use of exponentially…

Machine Learning · Computer Science 2020-10-07 Zhiyuan Li , Kaifeng Lyu , Sanjeev Arora

Uncertainty quantification is an important part of many performance critical applications. This paper provides a simple alternative to existing approaches such as ensemble learning and bayesian neural networks. By directly modeling the loss…

Machine Learning · Computer Science 2024-08-28 Yi Hung Lim

For many applications it is critical to know the uncertainty of a neural network's predictions. While a variety of neural network parameter estimation methods have been proposed for uncertainty estimation, they have not been rigorously…

Machine Learning · Computer Science 2019-12-05 Nabeel Seedat , Christopher Kanan

Batch Normalization (BN) has been a standard component in designing deep neural networks (DNNs). Although the standard BN can significantly accelerate the training of DNNs and improve the generalization performance, it has several…

Machine Learning · Computer Science 2020-10-13 Yong Guo , Qingyao Wu , Chaorui Deng , Jian Chen , Mingkui Tan

Batch normalization (BN) has become a critical component across diverse deep neural networks. The network with BN is invariant to positively linear re-scale transformation, which makes there exist infinite functionally equivalent networks…

Machine Learning · Computer Science 2022-06-07 Mingyang Yi

Stochastic versions of proximal methods have gained much attention in statistics and machine learning. These algorithms tend to admit simple, scalable forms, and enjoy numerical stability via implicit updates. In this work, we propose and…

Machine Learning · Statistics 2024-09-09 Haoyu Jiang , Jason Xu

Stochastic gradient descent (SGD) is an estimation tool for large data employed in machine learning and statistics. Due to the Markovian nature of the SGD process, inference is a challenging problem. An underlying asymptotic normality of…

Computation · Statistics 2025-03-27 Rahul Singh , Abhinek Shukla , Dootika Vats

Batch Normalization (BN) is one of the most widely used techniques in Deep Learning field. But its performance can awfully degrade with insufficient batch size. This weakness limits the usage of BN on many computer vision tasks like…

Computer Vision and Pattern Recognition · Computer Science 2020-06-17 Junjie Yan , Ruosi Wan , Xiangyu Zhang , Wei Zhang , Yichen Wei , Jian Sun

We consider two questions at the heart of machine learning; how can we predict if a minimum will generalize to the test set, and why does stochastic gradient descent find minima that generalize well? Our work responds to Zhang et al.…

Machine Learning · Computer Science 2018-02-16 Samuel L. Smith , Quoc V. Le

Bayesian neural networks (BNNs) have recently regained a significant amount of attention in the deep learning community due to the development of scalable approximate Bayesian inference techniques. There are several advantages of using…

Machine Learning · Statistics 2019-05-28 Aliaksandr Hubin , Geir Storvik

Uncertainty estimation bears the potential to make deep learning (DL) systems more reliable. Standard techniques for uncertainty estimation, however, come along with specific combinations of strengths and weaknesses, e.g., with respect to…

Machine Learning · Computer Science 2022-05-02 Joachim Sicking , Maram Akila , Jan David Schneider , Fabian Hüger , Peter Schlicht , Tim Wirtz , Stefan Wrobel

Calculation of the log-normalizer is a major computational obstacle in applications of log-linear models with large output spaces. The problem of fast normalizer computation has therefore attracted significant attention in the theoretical…

Machine Learning · Statistics 2015-06-19 Jacob Andreas , Maxim Rabinovich , Dan Klein , Michael I. Jordan

We evaluate the uncertainty quality in neural networks using anomaly detection. We extract uncertainty measures (e.g. entropy) from the predictions of candidate models, use those measures as features for an anomaly detector, and gauge how…

Machine Learning · Statistics 2016-12-26 Ramon Oliveira , Pedro Tabacof , Eduardo Valle

Deep neural networks has been increasingly applied in fault diagnostics, where it uses historical data to capture systems behavior, bypassing the need for high-fidelity physical models. However, despite their competence in prediction tasks,…

Machine Learning · Computer Science 2025-09-24 Arman Mohammadi , Mattias Krysander , Daniel Jung , Erik Frisk

Batch Normalization (BN) has been used extensively in deep learning to achieve faster training process and better resulting models. However, whether BN works strongly depends on how the batches are constructed during training and it may not…

Optimization and Control · Mathematics 2018-10-16 Xiangru Lian , Ji Liu

Modern deep models for summarization attains impressive benchmark performance, but they are prone to generating miscalibrated predictive uncertainty. This means that they assign high confidence to low-quality predictions, leading to…

Computation and Language · Computer Science 2023-04-19 Polina Zablotskaia , Du Phan , Joshua Maynez , Shashi Narayan , Jie Ren , Jeremiah Liu