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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…

机器学习 · 计算机科学 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…

计算机视觉与模式识别 · 计算机科学 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…

计算机视觉与模式识别 · 计算机科学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

计算机视觉与模式识别 · 计算机科学 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…

机器学习 · 统计学 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…

机器人学 · 计算机科学 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…

机器学习 · 计算机科学 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.…

神经与进化计算 · 计算机科学 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…

新兴技术 · 计算机科学 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…

计算机视觉与模式识别 · 计算机科学 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…

图像与视频处理 · 电气工程与系统科学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

计算机视觉与模式识别 · 计算机科学 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…

计算机视觉与模式识别 · 计算机科学 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,…

机器学习 · 统计学 2017-11-07 Balaji Lakshminarayanan , Alexander Pritzel , Charles Blundell