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Computational chemistry has come a long way over the course of several decades, enabling subatomic level calculations particularly with the development of Density Functional Theory (DFT). Recently, machine-learned potentials (MLP) have…

Understanding and quantifying uncertainty in black box Neural Networks (NNs) is critical when deployed in real-world settings such as healthcare. Recent works using Bayesian and non-Bayesian methods have shown how a unified predictive…

机器学习 · 计算机科学 2020-09-29 Utkarsh Sarawgi , Wazeer Zulfikar , Rishab Khincha , Pattie Maes

We use a Convolutional Recurrent Neural Network approach to learn morphological evolution driven by surface diffusion. To this aim we first produce a training set using phase field simulations. Intentionally, we insert in such a set only…

计算物理 · 物理学 2024-05-07 Daniele Lanzoni , Marco Albani , Roberto Bergamaschini , Francesco Montalenti

A Bayesian treatment of deep learning allows for the computation of uncertainties associated with the predictions of deep neural networks. We show how the concept of Errors-in-Variables can be used in Bayesian deep regression to also…

机器学习 · 计算机科学 2023-05-15 Jörg Martin , Clemens Elster

Quantifying and propagating modeling uncertainties is crucial for reliability analysis, robust optimization, and other model-based algorithmic processes in engineering design and control. Now, physics-informed machine learning (PIML)…

机器学习 · 计算机科学 2025-07-14 Manaswin Oddiraju , Bharath Varma Penumatsa , Divyang Amin , Michael Piedmonte , Souma Chowdhury

Pulmonary nodule detection plays an important role in lung cancer screening with low-dose computed tomography (CT) scans. It remains challenging to build nodule detection deep learning models with good generalization performance due to…

计算机视觉与模式识别 · 计算机科学 2020-02-10 Yuemeng Li , Yong Fan

Ensemble learning is a standard approach to building machine learning systems that capture complex phenomena in real-world data. An important aspect of these systems is the complete and valid quantification of model uncertainty. We…

机器学习 · 计算机科学 2019-11-12 Jeremiah Zhe Liu , John Paisley , Marianthi-Anna Kioumourtzoglou , Brent Coull

Deep learning models frequently make incorrect predictions with high confidence when presented with test examples that are not well represented in their training dataset. We propose a novel and straightforward approach to estimate…

机器学习 · 计算机科学 2019-10-04 Tiago Ramalho , Miguel Miranda

Physics-Informed Neural Networks (PINNs) have been widely used to obtain solutions to various physical phenomena modeled as Differential Equations. As PINNs are not naturally equipped with mechanisms for Uncertainty Quantification, some…

机器学习 · 计算机科学 2025-06-05 Pablo Flores , Olga Graf , Pavlos Protopapas , Karim Pichara

When applying a Deep Learning model to medical images, it is crucial to estimate the model uncertainty. Voxel-wise uncertainty is a useful visual marker for human experts and could be used to improve the model's voxel-wise output, such as…

图像与视频处理 · 电气工程与系统科学 2022-11-02 Anton Vasiliuk , Daria Frolova , Mikhail Belyaev , Boris Shirokikh

We evaluate two different methods for the integration of prediction uncertainty into diagnostic image classifiers to increase patient safety in deep learning. In the first method, Monte Carlo sampling is applied with dropout at test time to…

图像与视频处理 · 电气工程与系统科学 2019-08-05 Max-Heinrich Laves , Sontje Ihler , Tobias Ortmaier

Deep Learning sets the state-of-the-art in many challenging tasks showing outstanding performance in a broad range of applications. Despite its success, it still lacks robustness hindering its adoption in medical applications. Modeling…

计算机视觉与模式识别 · 计算机科学 2019-09-19 Agnieszka Tomczack , Nassir Navab , Shadi Albarqouni

When recording the movement of individual animals, cells or molecules one will often observe changes in their diffusive behaviour at certain points in time along their trajectory. In order to capture the different diffusive modes assembled…

统计力学 · 物理学 2024-10-21 Henrik Seckler , Ralf Metzler

This paper addresses the scalability problem of Bayesian deep neural networks. The performance of deep neural networks is undermined by the fact that these algorithms have poorly calibrated measures of uncertainty. This restricts their…

机器学习 · 计算机科学 2021-04-20 Sam Maksoud , Kun Zhao , Can Peng , Brian C. Lovell

We propose a novel deep learning tool in order to study the evolution of dark energy models. The aim is to combine two architectures: the Recurrent Neural Networks (RNN) and the Bayesian Neural Networks (BNN), we named this full network as…

宇宙学与河外天体物理 · 物理学 2020-03-18 Celia Escamilla-Rivera , Maryi Alejandra Carvajal Quintero , S. Capozziello

Recent evolution in deep learning has proven its value for CT-based lung nodule classification. Most current techniques are intrinsically black-box systems, suffering from two generalizability issues in clinical practice. First,…

图像与视频处理 · 电气工程与系统科学 2022-02-28 Hanxiao Zhang , Liang Chen , Xiao Gu , Minghui Zhang , Yulei Qin , Feng Yao , Zhexin Wang , Yun Gu , Guang-Zhong Yang

Effective quantification of uncertainty is an essential and still missing step towards a greater adoption of deep-learning approaches in different applications, including mission-critical ones. In particular, investigations on the…

机器学习 · 计算机科学 2023-04-14 Marco Forgione , Dario Piga

Lung cancer is the commonest cause of cancer deaths worldwide, and its mortality can be reduced significantly by performing early diagnosis and screening. Since the 1960s, driven by the pressing needs to accurately and effectively interpret…

计算机视觉与模式识别 · 计算机科学 2020-04-27 Bo Liu , Wenhao Chi , Xinran Li , Peng Li , Wenhua Liang , Haiping Liu , Wei Wang , Jianxing He

Multi-modal learning focuses on training models by equally combining multiple input data modalities during the prediction process. However, this equal combination can be detrimental to the prediction accuracy because different modalities…

计算机视觉与模式识别 · 计算机科学 2022-07-25 Hu Wang , Jianpeng Zhang , Yuanhong Chen , Congbo Ma , Jodie Avery , Louise Hull , Gustavo Carneiro

We introduce a new computer aided detection and diagnosis system for lung cancer screening with low-dose CT scans that produces meaningful probability assessments. Our system is based entirely on 3D convolutional neural networks and…

计算机视觉与模式识别 · 计算机科学 2020-01-22 Onur Ozdemir , Rebecca L. Russell , Andrew A. Berlin
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