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Large language models(LLMs) are increasingly expanding their real-world applications across domains, e.g., question answering, autonomous driving, and automatic software development. Despite this achievement, LLMs, as data-driven systems,…

Artificial Intelligence · Computer Science 2025-12-09 Xianzong Wu , Xiaohong Li , Lili Quan , Qiang Hu

In the context of high usability in single-class anomaly detection models, recent academic research has become concerned about the more complex multi-class anomaly detection. Although several papers have designed unified models for this…

Computer Vision and Pattern Recognition · Computer Science 2024-03-22 Xi Jiang , Ying Chen , Qiang Nie , Jianlin Liu , Yong Liu , Chengjie Wang , Feng Zheng

Graph Neural Networks (GNNs) have emerged as a prominent class of data-driven methods for molecular property prediction. However, a key limitation of typical GNN models is their inability to quantify uncertainties in the predictions. This…

Machine Learning · Computer Science 2024-07-02 Shengli Jiang , Shiyi Qin , Reid C. Van Lehn , Prasanna Balaprakash , Victor M. Zavala

Emergence of artificial intelligence techniques in biomedical applications urges the researchers to pay more attention on the uncertainty quantification (UQ) in machine-assisted medical decision making. For classification tasks, prior…

Machine Learning · Computer Science 2019-09-17 Xiaoyang Huang , Jiancheng Yang , Linguo Li , Haoran Deng , Bingbing Ni , Yi Xu

Semi-supervised learning has emerged as an appealing strategy to train deep models with limited supervision. Most prior literature under this learning paradigm resorts to dual-based architectures, typically composed of a teacher-student…

Computer Vision and Pattern Recognition · Computer Science 2022-03-08 Martin Van Waerebeke , Gregory Lodygensky , Jose Dolz

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

Machine learning (ML) offers promising new approaches to tackle complex problems and has been increasingly adopted in chemical and materials sciences. Broadly speaking, ML models employ generic mathematical functions and attempt to learn…

Materials Science · Physics 2024-08-21 Jin Dai , Santosh Adhikari , Mingjian Wen

State-of-the-art computer codes for simulating real physical systems are often characterized by a vast number of input parameters. Performing uncertainty quantification (UQ) tasks with Monte Carlo (MC) methods is almost always infeasible…

Computational Physics · Physics 2018-10-17 Rohit Tripathy , Ilias Bilionis

Operator learning is a recently developed generalization of regression to mappings between functions. It promises to drastically reduce expensive numerical integration of PDEs to fast evaluations of mappings between functional states of a…

Machine Learning · Computer Science 2025-12-23 Tian Yu Yen , Reese E. Jones , Ravi G. Patel

Though deep learning has achieved advanced performance recently, it remains a challenging task in the field of medical imaging, as obtaining reliable labeled training data is time-consuming and expensive. In this paper, we propose a…

Computer Vision and Pattern Recognition · Computer Science 2020-10-20 Yixin Wang , Yao Zhang , Jiang Tian , Cheng Zhong , Zhongchao Shi , Yang Zhang , Zhiqiang He

We propose a new class of implicit networks, the multiscale deep equilibrium model (MDEQ), suited to large-scale and highly hierarchical pattern recognition domains. An MDEQ directly solves for and backpropagates through the equilibrium…

Machine Learning · Computer Science 2020-11-25 Shaojie Bai , Vladlen Koltun , J. Zico Kolter

Many vision-related tasks benefit from reasoning over multiple modalities to leverage complementary views of data in an attempt to learn robust embedding spaces. Most deep learning-based methods rely on a late fusion technique whereby…

Computer Vision and Pattern Recognition · Computer Science 2020-03-04 Austin Reiter , Menglin Jia , Pu Yang , Ser-Nam Lim

Uncertainty quantification (UQ) helps to make trustworthy predictions based on collected observations and uncertain domain knowledge. With increased usage of deep learning in various applications, the need for efficient UQ methods that can…

Machine Learning · Computer Science 2021-11-09 Olga Graf , Pablo Flores , Pavlos Protopapas , Karim Pichara

This paper proposes an introspective deep metric learning (IDML) framework for uncertainty-aware comparisons of images. Conventional deep metric learning methods produce confident semantic distances between images regardless of the…

Computer Vision and Pattern Recognition · Computer Science 2023-09-06 Wenzhao Zheng , Chengkun Wang , Jie Zhou , Jiwen Lu

A model's ability to express its own predictive uncertainty is an essential attribute for maintaining clinical user confidence as computational biomarkers are deployed into real-world medical settings. In the domain of cancer digital…

This paper presents a nonparametric statistical modeling method for quantifying uncertainty in stochastic gradient systems with isotropic diffusion. The central idea is to apply the diffusion maps algorithm to a training data set to produce…

Dynamical Systems · Mathematics 2015-02-10 Tyrus Berry , John Harlim

The design and testing of supervised machine learning models combine two fundamental distributions: (1) the training data distribution (2) the testing data distribution. Although these two distributions are identical and identifiable when…

Machine Learning · Computer Science 2021-03-19 Peyman Tavallali , Hamed Hamze Bajgiran , Danial J. Esaid , Houman Owhadi

Existing model evaluation tools mainly focus on evaluating classification models, leaving a gap in evaluating more complex models, such as object detection. In this paper, we develop an open-source visual analysis tool, Uni-Evaluator, to…

Computer Vision and Pattern Recognition · Computer Science 2023-08-11 Changjian Chen , Yukai Guo , Fengyuan Tian , Shilong Liu , Weikai Yang , Zhaowei Wang , Jing Wu , Hang Su , Hanspeter Pfister , Shixia Liu

One main challenge in time series anomaly detection for industrial IoT lies in the complex spatio-temporal couplings within multivariate data. However, traditional anomaly detection methods focus on modeling spatial or temporal dependencies…

Machine Learning · Computer Science 2025-09-30 Tao Yin , Xiaohong Zhang , Shaochen Fu , Zhibin Zhang , Li Huang , Yiyuan Yang , Kaixiang Yang , Meng Yan

Image classification is often prone to labelling uncertainty. To generate suitable training data, images are labelled according to evaluations of human experts. This can result in ambiguities, which will affect subsequent models. In this…

Applications · Statistics 2024-07-24 Katharina Hechinger , Xiao Xiang Zhu , Göran Kauermann