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Post-hoc interpretability methods are critical tools to explain neural-network results. Several post-hoc methods have emerged in recent years, but when applied to a given task, they produce different results, raising the question of which…

Machine Learning · Computer Science 2024-12-09 Hugues Turbé , Mina Bjelogrlic , Christian Lovis , Gianmarco Mengaldo

Uncertainty quantification is critical for deploying deep neural networks (DNNs) in real-world applications. An Auxiliary Uncertainty Estimator (AuxUE) is one of the most effective means to estimate the uncertainty of the main task…

Computer Vision and Pattern Recognition · Computer Science 2023-12-14 Xuanlong Yu , Gianni Franchi , Jindong Gu , Emanuel Aldea

Reliable uncertainty quantification on RUL prediction is crucial for informative decision-making in predictive maintenance. In this context, we assess some of the latest developments in the field of uncertainty quantification for…

Machine Learning · Computer Science 2023-02-10 Luis Basora , Arthur Viens , Manuel Arias Chao , Xavier Olive

Physics-informed neural networks (PINNs) have recently emerged as an alternative way of solving partial differential equations (PDEs) without the need of building elaborate grids, instead, using a straightforward implementation. In…

Analysis of PDEs · Mathematics 2019-09-04 Dongkun Zhang , Lu Lu , Ling Guo , George Em Karniadakis

Uncertainty quantification (UQ) is a crucial but challenging task in many high-dimensional regression or learning problems to increase the confidence of a given predictor. We develop a new data-driven approach for UQ in regression that…

Machine Learning · Computer Science 2024-07-19 Frederik Hoppe , Claudio Mayrink Verdun , Hannah Laus , Felix Krahmer , Holger Rauhut

Large Language Models (LLMs) have become indispensable tools across various applications, making it more important than ever to ensure the quality and the trustworthiness of their outputs. This has led to growing interest in uncertainty…

Computation and Language · Computer Science 2025-09-26 Roman Vashurin , Maiya Goloburda , Preslav Nakov , Maxim Panov

The deployment of AI systems in safety-critical domains, such as industrial defect inspection, autonomous driving, and medical diagnosis, is severely hampered by their lack of reliability. A single undetected erroneous prediction can lead…

Computer Vision and Pattern Recognition · Computer Science 2026-04-22 Hang-Cheng Dong , Yuhao Jiang , Yibo Jiao , Lu Zou , Kai Zheng , Bingguo Liu , Dong Ye , Guodong Liu

Turbulent flows are of central importance across applications in science and engineering problems. For design and analysis, scientists and engineers use Computational Fluid Dynamics (CFD) simulations using turbulence models. Turbulent…

Fluid Dynamics · Physics 2023-10-18 Minghan Chu , Weicheng Qian

Robust reinforcement learning (RL) is to find a policy that optimizes the worst-case performance over an uncertainty set of MDPs. In this paper, we focus on model-free robust RL, where the uncertainty set is defined to be centering at a…

Machine Learning · Computer Science 2021-10-29 Yue Wang , Shaofeng Zou

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…

Machine Learning · Computer Science 2026-04-15 Chao Chen , Chenghua Guo , Rui Xu , Jiujiu Chen , Xiangwen Liao , Xi Zhang , Sihong Xie , Hui Xiong , Philip Yu

Uncertainty quantification (UQ) is essential for safe deployment of generative AI models such as large language models (LLMs), especially in high stakes applications. Conformal prediction (CP) offers a principled uncertainty quantification…

Machine Learning · Computer Science 2025-06-09 Sima Noorani , Shayan Kiyani , George Pappas , Hamed Hassani

Existing work in scientific machine learning (SciML) has shown that data-driven learning of solution operators can provide a fast approximate alternative to classical numerical partial differential equation (PDE) solvers. Of these, Neural…

Machine Learning · Computer Science 2024-06-13 S. Chandra Mouli , Danielle C. Maddix , Shima Alizadeh , Gaurav Gupta , Andrew Stuart , Michael W. Mahoney , Yuyang Wang

Uncertainty Quantification (UQ) for Natural Language Generation (NLG) is crucial for assessing the performance of Large Language Models (LLMs), as it reveals confidence in predictions, identifies failure modes, and gauges output…

Computation and Language · Computer Science 2025-04-09 Sean Wang , Yicheng Jiang , Yuxin Tang , Lu Cheng , Hanjie Chen

Atomistic simulations are an important tool in materials modeling. Interatomic potentials (IPs) are at the heart of such molecular models, and the accuracy of a model's predictions depends strongly on the choice of IP. Uncertainty…

The transductive inference is an effective technique in the few-shot learning task, where query sets update prototypes to improve themselves. However, these methods optimize the model by considering only the classification scores of the…

Computer Vision and Pattern Recognition · Computer Science 2022-05-18 Minglei Yuan , Qian Xu , Chunhao Cai , Yin-Dong Zheng , Tao Wang , Tong Lu

We propose a network architecture capable of reliably estimating uncertainty of regression based predictions without sacrificing accuracy. The current state-of-the-art uncertainty algorithms either fall short of achieving prediction…

Machine Learning · Computer Science 2022-02-22 Kinjal Patel , Steven Waslander

Reliable uncertainty from deterministic single-forward pass models is sought after because conventional methods of uncertainty quantification are computationally expensive. We take two complex single-forward-pass uncertainty approaches, DUQ…

Machine Learning · Computer Science 2022-01-31 Jishnu Mukhoti , Andreas Kirsch , Joost van Amersfoort , Philip H. S. Torr , Yarin Gal

As Large Language Models (LLMs) are integrated into safety-critical applications involving sequential decision-making in the real world, it is essential to know when to trust LLM decisions. Existing LLM Uncertainty Quantification (UQ)…

Computation and Language · Computer Science 2025-06-24 Jinhao Duan , James Diffenderfer , Sandeep Madireddy , Tianlong Chen , Bhavya Kailkhura , Kaidi Xu

This study investigates whether Physically Recurrent Neural Networks (PRNNs), a recent surrogate model for heterogeneous materials, trained on a micromodel with fixed material parameters, can maintain accuracy for varying material…

Disordered Systems and Neural Networks · Physics 2025-04-17 N. Kovács , I. B. C. M. Rocha , F. P. van der Meer , C. Furtado , P. P. Camanho

Uncertainty estimations for machine learning interatomic potentials (MLIPs) are crucial for quantifying model error and identifying informative training samples in active learning strategies. In this study, we evaluate uncertainty…

Machine Learning · Computer Science 2025-01-10 Matthias Holzenkamp , Dongyu Lyu , Ulrich Kleinekathöfer , Peter Zaspel