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Uncertainty quantification (UQ) is essential for deploying deep learning models in safety critical applications, yet no consensus exists on which UQ method performs best across different data modalities and distribution shifts. This paper…

机器学习 · 计算机科学 2026-04-13 Rahul D Ray , Utkarsh Srivastava

Turbulent flows play an important role in many scientific and technological design problems. Both Sub-Grid Scale (SGS) models in Large Eddy Simulations (LES) and Reynolds Averaged Navier Stokes (RANS) based modeling will require turbulence…

流体动力学 · 物理学 2024-07-16 Minghan Chu

Uncertainty quantification (UQ) has increasing importance in building robust high-performance and generalizable materials property prediction models. It can also be used in active learning to train better models by focusing on getting new…

材料科学 · 物理学 2022-11-14 Daniel Varivoda , Rongzhi Dong , Sadman Sadeed Omee , Jianjun Hu

Modern machine learning (ML) methods typically fail to adequately capture causal information. Consequently, such models do not handle data distributional shifts, are vulnerable to adversarial examples, and often learn spurious correlations.…

量子物理 · 物理学 2026-01-27 Rishi Goel , Casey R. Myers , Sally Shrapnel

Large molecular representation models pre-trained on massive unlabeled data have shown great success in predicting molecular properties. However, these models may tend to overfit the fine-tuning data, resulting in over-confident predictions…

化学物理 · 物理学 2024-04-18 Yinghao Li , Lingkai Kong , Yuanqi Du , Yue Yu , Yuchen Zhuang , Wenhao Mu , Chao Zhang

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

Time-series with volatility clustering pose a unique challenge to uncertainty quantification (UQ) for returns forecasts. Methods for UQ such as Deep Evidential regression offer a simple way of quantifying return forecast uncertainty without…

统计金融 · 定量金融 2024-09-20 Steven Y. K. Wong , Jennifer S. K. Chan , Lamiae Azizi

As AI-based code generation becomes widespread, researchers are investigating the calibration of code LLMs - ensuring their confidence scores faithfully represent the true likelihood of code correctness. To do so, we investigate…

软件工程 · 计算机科学 2025-12-10 Viola Campos , Robin Kuschnereit , Adrian Ulges

As Large Language Models (LLMs) are increasingly deployed in real-world applications, reliable uncertainty quantification (UQ) becomes critical for safe and effective use. Most existing UQ approaches for language models aim to produce a…

计算与语言 · 计算机科学 2026-04-14 Maiya Goloburda , Roman Vashurin , Fedor Chernogorsky , Nurkhan Laiyk , Daniil Orel , Preslav Nakov , Maxim Panov

Quantum error mitigation (QEM) has been proposed as a class of hardware-friendly error suppression techniques. While QEM has been primarily studied for mitigating errors in the estimation of expectation values of observables, recent works…

量子物理 · 物理学 2025-11-18 Rion Shimazu , Suguru Endo , Shigeo Hakkaku , Shinobu Saito

With model trustworthiness being crucial for sensitive real-world applications, practitioners are putting more and more focus on improving the uncertainty calibration of deep neural networks. Calibration errors are designed to quantify the…

机器学习 · 计算机科学 2024-03-14 Sebastian G. Gruber , Florian Buettner

Recent advances in generative video models have led to significant breakthroughs in high-fidelity video synthesis, specifically in controllable video generation where the generated video is conditioned on text and action inputs, e.g., in…

计算机视觉与模式识别 · 计算机科学 2026-03-12 Zhiting Mei , Tenny Yin , Micah Baker , Ola Shorinwa , Anirudha Majumdar

Standard deep learning methods, such as Ensemble Models, Bayesian Neural Networks and Quantile Regression Models provide estimates to prediction uncertainties for data-driven deep learning models. However, they can be limited in their…

The model uncertainty obtained by variational Bayesian inference with Monte Carlo dropout is prone to miscalibration. In this paper, different logit scaling methods are extended to dropout variational inference to recalibrate model…

机器学习 · 计算机科学 2020-06-23 Max-Heinrich Laves , Sontje Ihler , Karl-Philipp Kortmann , Tobias Ortmaier

Machine learning models are often evaluated using point estimates of performance metrics such as accuracy, F1 score, or mean squared error. Such summaries fail to capture the inherent variability induced by stochastic elements of the…

机器学习 · 计算机科学 2026-05-13 Christoph Lehmann , Yahor Paromau

Simulation is increasingly being used for generating large labelled datasets in many machine learning problems. Recent methods have focused on adjusting simulator parameters with the goal of maximising accuracy on a validation task, usually…

计算机视觉与模式识别 · 计算机科学 2020-08-20 Harkirat Singh Behl , Atılım Güneş Baydin , Ran Gal , Philip H. S. Torr , Vibhav Vineet

Large Language Models (LLMs) have been transformative across many domains. However, hallucination, i.e., confidently outputting incorrect information, remains one of the leading challenges for LLMs. This raises the question of how to…

计算与语言 · 计算机科学 2026-03-19 Toghrul Abbasli , Kentaroh Toyoda , Yuan Wang , Leon Witt , Muhammad Asif Ali , Yukai Miao , Dan Li , Qingsong Wei

In recent years fully-parametric fast simulation methods based on generative models have been proposed for a variety of high-energy physics detectors. By their nature, the quality of data-driven models degrades in the regions of the phase…

机器学习 · 计算机科学 2023-03-03 Lucio Anderlini , Constantine Chimpoesh , Nikita Kazeev , Agata Shishigina

In inverse problems, distribution-free uncertainty quantification (UQ) aims to obtain error bars with coverage guarantees that are independent of any prior assumptions about the data distribution. In the context of mass mapping,…

宇宙学与河外天体物理 · 物理学 2025-02-26 Hubert Leterme , Jalal Fadili , Jean-Luc Starck

Simulation-based calibration (SBC) is a method for validating inference algorithms and model implementations through repeated inference on data simulated from a generative model. For a model to be generative, one must specify proper priors.…

统计方法学 · 统计学 2025-05-26 Luna Fazio , Maximilian Scholz , Javier Enrique Aguilar , Paul-Christian Bürkner