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The hybrid neural differentiable models mark a significant advancement in the field of scientific machine learning. These models, integrating numerical representations of known physics into deep neural networks, offer enhanced predictive…

机器学习 · 计算机科学 2024-01-02 Deepak Akhare , Tengfei Luo , Jian-Xun Wang

In multiclass classification of multidimensional data, the user wants to build a model of the classes to predict the label of unseen data. The model is trained on the data and tested on unseen data with known labels to evaluate its quality.…

人机交互 · 计算机科学 2022-02-01 Michael Aupetit , Ahmed Ali

Existing interactive visualization tools for deep learning are mostly applied to the training, debugging, and refinement of neural network models working on natural images. However, visual analytics tools are lacking for the specific…

计算机视觉与模式识别 · 计算机科学 2020-09-07 Xinyi Huang , Suphanut Jamonnak , Ye Zhao , Boyu Wang , Minh Hoai , Kevin Yager , Wei Xu

How can we quantify uncertainty if our favorite computational tool - be it a numerical, a statistical, or a machine learning approach, or just any computer model - provides single-valued output only? In this article, we introduce the Easy…

统计方法学 · 统计学 2023-07-25 Eva-Maria Walz , Alexander Henzi , Johanna Ziegel , Tilmann Gneiting

Uncertainty quantification (UQ) in machine learning is currently drawing increasing research interest, driven by the rapid deployment of deep neural networks across different fields, such as computer vision, natural language processing, and…

机器学习 · 计算机科学 2022-08-26 Zongren Zou , Xuhui Meng , Apostolos F Psaros , George Em Karniadakis

We present MatUQ, a benchmark framework for evaluating graph neural networks (GNNs) on out-of-distribution (OOD) materials property prediction with uncertainty quantification (UQ). MatUQ comprises 1,375 OOD prediction tasks constructed from…

机器学习 · 计算机科学 2025-11-18 Liqin Tan , Pin Chen , Menghan Liu , Xiean Wang , Jianhuan Cen , Qingsong Zou

Recent performance breakthroughs in Artificial intelligence (AI) and Machine learning (ML), especially advances in Deep learning (DL), the availability of powerful, easy-to-use ML libraries (e.g., scikit-learn, TensorFlow, PyTorch.), and…

机器学习 · 计算机科学 2023-03-24 Mahmoud Yaseen , Xu Wu

We evaluate uncertainty quantification (UQ) methods for deep learning applied to liquid argon time projection chamber (LArTPC) physics analysis tasks. As deep learning applications enter widespread usage among physics data analysis, neural…

高能物理 - 实验 · 物理学 2023-11-02 Dae Heun Koh , Aashwin Mishra , Kazuhiro Terao

Most uncertainty quantification (UQ) approaches provide a single scalar value as a measure of model reliability. However, different uncertainty measures could provide complementary information on the prediction confidence. Even measures…

Neural networks (NNs) are currently changing the computational paradigm on how to combine data with mathematical laws in physics and engineering in a profound way, tackling challenging inverse and ill-posed problems not solvable with…

机器学习 · 计算机科学 2023-02-08 Apostolos F Psaros , Xuhui Meng , Zongren Zou , Ling Guo , George Em Karniadakis

Uncertainty quantification (UQ) in deep learning regression is of wide interest, as it supports critical applications including sequential decision making and risk-sensitive tasks. In heteroskedastic regression, where the uncertainty of the…

Assessing the quality of aleatoric uncertainty estimates from uncertainty quantification (UQ) deep learning methods is important in scientific contexts, where uncertainty is physically meaningful and important to characterize and interpret…

机器学习 · 计算机科学 2024-11-14 Rebecca Nevin , Aleksandra Ćiprijanović , Brian D. Nord

We propose a novel framework for uncertainty quantification via information bottleneck (IB-UQ) for scientific machine learning tasks, including deep neural network (DNN) regression and neural operator learning (DeepONet). Specifically, we…

数值分析 · 数学 2023-05-31 Ling Guo , Hao Wu , Wenwen Zhou , Yan Wang , Tao Zhou

This paper explores uncertainty quantification (UQ) as an indicator of the trustworthiness of automated deep-learning (DL) tools in the context of white matter lesion (WML) segmentation from magnetic resonance imaging (MRI) scans of…

Deep learning has been shown to be highly effective for automatic modulation classification (AMC), which is a pivotal technology for next-generation cognitive communications. Yet, existing deep learning methods for AMC often lack robust…

信号处理 · 电气工程与系统科学 2025-12-03 Huian Yang , Rajeev Sahay

Neural Network (NN) models provide potential to speed up the drug discovery process and reduce its failure rates. The success of NN models require uncertainty quantification (UQ) as drug discovery explores chemical space beyond the training…

Graphical models have demonstrated their exceptional capabilities across numerous applications. However, their performance, confidence, and trustworthiness are often limited by the inherent randomness in data generation and the lack of…

机器学习 · 计算机科学 2026-04-15 Chao Chen , Chenghua Guo , Rui Xu , Jiujiu Chen , Xiangwen Liao , Xi Zhang , Sihong Xie , Hui Xiong , Philip Yu

Subset selection-based methods are widely used to explain deep vision models: they attribute predictions by highlighting the most influential image regions and support object-level explanations. While these methods perform well in…

计算机视觉与模式识别 · 计算机科学 2026-03-09 Madhav Gupta , Vishak Prasad C , Ganesh Ramakrishnan

Deep Learning models are easily disturbed by variations in the input images that were not seen during training, resulting in unpredictable behaviours. Such Out-of-Distribution (OOD) images represent a significant challenge in the context of…

图像与视频处理 · 电气工程与系统科学 2024-10-28 Benjamin Lambert , Florence Forbes , Senan Doyle , Alan Tucholka , Michel Dojat

Deep learning (DL) has shown great potential in medical image enhancement problems, such as super-resolution or image synthesis. However, to date, little consideration has been given to uncertainty quantification over the output image. Here…

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