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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

Deep neural networks suffer from the overconfidence issue in the open world, meaning that classifiers could yield confident, incorrect predictions for out-of-distribution (OOD) samples. Thus, it is an urgent and challenging task to detect…

Computer Vision and Pattern Recognition · Computer Science 2022-04-12 Qiuyu Zhu , Guohui Zheng , Yingying Yan

Object detection is essential to many perception algorithms used in modern robotics applications. Unfortunately, the existing models share a tendency to assign high confidence scores for out-of-distribution (OOD) samples. Although OOD…

Computer Vision and Pattern Recognition · Computer Science 2023-12-19 Bartłomiej Olber , Krystian Radlak , Krystian Chachuła , Jakub Łyskawa , Piotr Frątczak

In supervised learning, understanding an input's proximity to the training data can help a model decide whether it has sufficient evidence for reaching a reliable prediction. While powerful probabilistic models such as Gaussian Processes…

Machine Learning · Computer Science 2024-06-19 Ifigeneia Apostolopoulou , Benjamin Eysenbach , Frank Nielsen , Artur Dubrawski

Out-of-distribution (OOD) detection plays a crucial role in ensuring the safe deployment of deep neural network (DNN) classifiers. While a myriad of methods have focused on improving the performance of OOD detectors, a critical gap remains…

Machine Learning · Computer Science 2023-06-07 Jihye Choi , Jayaram Raghuram , Ryan Feng , Jiefeng Chen , Somesh Jha , Atul Prakash

Uncertainty is a key feature of any machine learning model and is particularly important in neural networks, which tend to be overconfident. This overconfidence is worrying under distribution shifts, where the model performance silently…

Machine Learning · Computer Science 2024-03-18 Arthur Thuy , Dries F. Benoit

Image ordinal classification refers to predicting a discrete target value which carries ordering correlation among image categories. The limited size of labeled ordinal data renders modern deep learning approaches easy to overfit. To tackle…

Computer Vision and Pattern Recognition · Computer Science 2018-05-09 Chao Zhang , Ce Zhu , Jimin Xiao , Xun Xu , Yipeng Liu

The problem of detecting whether a test sample is from in-distribution (i.e., training distribution by a classifier) or out-of-distribution sufficiently different from it arises in many real-world machine learning applications. However, the…

Machine Learning · Statistics 2018-02-27 Kimin Lee , Honglak Lee , Kibok Lee , Jinwoo Shin

Accurate state and uncertainty estimation is imperative for mobile robots and self driving vehicles to achieve safe navigation in pedestrian rich environments. A critical component of state and uncertainty estimation for robot navigation is…

Robotics · Computer Science 2021-04-08 Kapil D. Katyal , I-Jeng Wang , Gregory D. Hager

Deep Neural Networks (DNNs) achieve state-of-the-art performance on numerous applications. However, it is difficult to tell beforehand if a DNN receiving an input will deliver the correct output since their decision criteria are usually…

Machine Learning · Computer Science 2021-09-07 Julia Lust , Alexandru Paul Condurache

Research around Spiking Neural Networks has ignited during the last years due to their advantages when compared to traditional neural networks, including their efficient processing and inherent ability to model complex temporal dynamics.…

Neural and Evolutionary Computing · Computer Science 2022-10-04 Aitor Martinez Seras , Javier Del Ser , Jesus L. Lobo , Pablo Garcia-Bringas , Nikola Kasabov

Bayesian Neural Networks (BayNNs) can inherently estimate predictive uncertainty, facilitating informed decision-making. Dropout-based BayNNs are increasingly implemented in spintronics-based computation-in-memory architectures for…

Emerging Technologies · Computer Science 2024-01-11 Soyed Tuhin Ahmed , Michael Hefenbrock , Guillaume Prenat , Lorena Anghel , Mehdi B. Tahoori

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

Deep learning (DL) models have received particular attention in medical imaging due to their promising pattern recognition capabilities. However, Deep Neural Networks (DNNs) require a huge amount of data, and because of the lack of…

Image and Video Processing · Electrical Eng. & Systems 2021-07-27 Donya Khaledyan , AmirReza Tajally , Ali Sarkhosh , Afshar Shamsi , Hamzeh Asgharnezhad , Abbas Khosravi , Saeid Nahavandi

Active Learning (AL) is increasingly important in a broad range of applications. Two main AL principles to obtain accurate classification with few labeled data are refinement of the current decision boundary and exploration of poorly…

Machine Learning · Computer Science 2012-10-19 Jens Roeder , Boaz Nadler , Kevin Kunzmann , Fred A. Hamprecht

We present Neural Autoregressive Distribution Estimation (NADE) models, which are neural network architectures applied to the problem of unsupervised distribution and density estimation. They leverage the probability product rule and a…

Machine Learning · Computer Science 2016-05-30 Benigno Uria , Marc-Alexandre Côté , Karol Gregor , Iain Murray , Hugo Larochelle

Recent models for image processing are using the Convolutional neural network (CNN) which requires a pixel per pixel analysis of the input image. This method works well. However, it is time-consuming if we have large images. To increase the…

Machine Learning · Computer Science 2019-12-10 Mohamed Karim Belaid

We propose a new optimization framework for aleatoric uncertainty estimation in regression problems. Existing methods can quantify the error in the target estimation, but they tend to underestimate it. To obtain the predictive uncertainty…

Computer Vision and Pattern Recognition · Computer Science 2021-03-12 Takumi Kawashima , Qing Yu , Akari Asai , Daiki Ikami , Kiyoharu Aizawa

Deep neural networks achieve superior performance in semantic segmentation, but are limited to a predefined set of classes, which leads to failures when they encounter unknown objects in open-world scenarios. Recognizing and segmenting…

Computer Vision and Pattern Recognition · Computer Science 2025-12-15 Arnold Brosch , Abdelrahman Eldesokey , Michael Felsberg , Kira Maag

Deep neural networks (NNs) are powerful black box predictors that have recently achieved impressive performance on a wide spectrum of tasks. Quantifying predictive uncertainty in NNs is a challenging and yet unsolved problem. Bayesian NNs,…

Machine Learning · Statistics 2017-11-07 Balaji Lakshminarayanan , Alexander Pritzel , Charles Blundell