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In this paper, we leverage predictive uncertainty of deep neural networks to answer challenging questions material scientists usually encounter in machine learning based materials applications workflows. First, we show that by leveraging…

Materials Science · Physics 2021-04-26 Jize Zhang , Bhavya Kailkhura , T. Yong-Jin Han

One major impediment to the wider use of deep learning for clinical decision making is the difficulty of assigning a level of confidence to model predictions. Currently, deep Bayesian neural networks and sparse Gaussian processes are the…

Deep learning, an area of machine learning, is set to revolutionize patient care. But it is not yet part of standard of care, especially when it comes to individual patient care. In fact, it is unclear to what extent data-driven techniques…

Machine Learning · Computer Science 2019-06-07 Gal Levy-Fix , Gilad J. Kuperman , Noémie Elhadad

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

In medical diagnostics, accurate uncertainty estimation for neural-based models is essential for complementing second-opinion systems. Despite neural network ensembles' proficiency in this problem, a gap persists between actual…

Computer Vision and Pattern Recognition · Computer Science 2024-07-17 Ekaterina Zaychenkova , Dmitrii Iarchuk , Sergey Korchagin , Alexey Zaitsev , Egor Ershov

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…

Computer Vision and Pattern Recognition · Computer Science 2022-07-25 Hu Wang , Jianpeng Zhang , Yuanhong Chen , Congbo Ma , Jodie Avery , Louise Hull , Gustavo Carneiro

Deep neural networks (DNNs) are known to produce incorrect predictions with very high confidence on out-of-distribution inputs (OODs). This limitation is one of the key challenges in the adoption of DNNs in high-assurance systems such as…

Machine Learning · Computer Science 2021-08-21 Ramneet Kaur , Susmit Jha , Anirban Roy , Sangdon Park , Oleg Sokolsky , Insup Lee

Computer-aided detection has been a research area attracting great interest in the past decade. Machine learning algorithms have been utilized extensively for this application as they provide a valuable second opinion to the doctors.…

Dynamical systems are frequently used to model biological systems. When these models are fit to data it is necessary to ascertain the uncertainty in the model fit. Here we present prediction deviation, a new metric of uncertainty that…

Applications · Statistics 2017-06-08 Benjamin Letham , Portia A. Letham , Cynthia Rudin , Edward P. Browne

Predictions and forecasts of machine learning models should take the form of probability distributions, aiming to increase the quantity of information communicated to end users. Although applications of probabilistic prediction and…

Machine Learning · Statistics 2024-03-19 Hristos Tyralis , Georgia Papacharalampous

Machine learning (ML) models have been quite successful in predicting outcomes in many applications. However, in some cases, domain experts might have a judgment about the expected outcome that might conflict with the prediction of ML…

Machine Learning · Computer Science 2023-05-02 Hogun Park , Aly Megahed , Peifeng Yin , Yuya Ong , Pravar Mahajan , Pei Guo

Deep neural networks (DNNs) are often coupled with physics-based models or data-driven surrogate models to perform fault detection and health monitoring of systems in the low data regime. These models serve as digital twins to generate…

Machine Learning · Computer Science 2023-03-21 Laya Das , Blazhe Gjorgiev , Giovanni Sansavini

In many applications with real-world consequences, it is crucial to develop reliable uncertainty estimation for the predictions made by the AI decision systems. Targeting at the goal of estimating uncertainty, various deep neural network…

Machine Learning · Computer Science 2022-10-13 Huimin Zeng , Zhenrui Yue , Yang Zhang , Ziyi Kou , Lanyu Shang , Dong Wang

While multiple studies have explored the relation between inter-rater variability and deep learning model uncertainty in medical segmentation tasks, little is known about the impact of individual rater style. This study quantifies rater…

Computer Vision and Pattern Recognition · Computer Science 2021-05-06 Olivier Vincent , Charley Gros , Julien Cohen-Adad

In safety-critical applications like medical diagnosis, certainty associated with a model's prediction is just as important as its accuracy. Consequently, uncertainty estimation and reduction play a crucial role. Uncertainty in predictions…

Image and Video Processing · Electrical Eng. & Systems 2023-09-12 Abhishek Singh Sambyal , Narayanan C. Krishnan , Deepti R. Bathula

The last decade's research in artificial intelligence had a significant impact on the advance of autonomous driving. Yet, safety remains a major concern when it comes to deploying such systems in high-risk environments. The objective of…

Computer Vision and Pattern Recognition · Computer Science 2022-11-16 Charles Corbière

With the widespread success of deep neural networks in science and technology, it is becoming increasingly important to quantify the uncertainty of the predictions produced by deep learning. In this paper, we introduce a new method that…

Machine Learning · Computer Science 2019-08-15 Qingyang Wu , He Li , Lexin Li , Zhou Yu

Most machine learning techniques are based upon statistical learning theory, often simplified for the sake of computing speed. This paper is focused on the uncertainty aspect of mathematical modeling in machine learning. Regression analysis…

Machine Learning · Computer Science 2022-06-07 Valentin Arkov

Despite the state-of-the-art performance for medical image segmentation, deep convolutional neural networks (CNNs) have rarely provided uncertainty estimations regarding their segmentation outputs, e.g., model (epistemic) and image-based…

Computer Vision and Pattern Recognition · Computer Science 2019-02-12 Guotai Wang , Wenqi Li , Michael Aertsen , Jan Deprest , Sebastien Ourselin , Tom Vercauteren

While deep neural networks have become the go-to approach in computer vision, the vast majority of these models fail to properly capture the uncertainty inherent in their predictions. Estimating this predictive uncertainty can be crucial,…

Machine Learning · Computer Science 2020-04-08 Fredrik K. Gustafsson , Martin Danelljan , Thomas B. Schön