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Over the past decades, researchers and ML practitioners have come up with better and better ways to build, understand and improve the quality of ML models, but mostly under the key assumption that the training data is distributed…

Machine Learning · Computer Science 2019-10-14 Yeounoh Chung , Peter J. Haas , Eli Upfal , Tim Kraska

In recent years, Large Language Models (LLMs) have become fundamental to a broad spectrum of artificial intelligence applications. As the use of LLMs expands, precisely estimating the uncertainty in their predictions has become crucial.…

Artificial Intelligence · Computer Science 2024-10-29 Mohammad Beigi , Sijia Wang , Ying Shen , Zihao Lin , Adithya Kulkarni , Jianfeng He , Feng Chen , Ming Jin , Jin-Hee Cho , Dawei Zhou , Chang-Tien Lu , Lifu Huang

Unfair predictions of machine learning (ML) models impede their broad acceptance in real-world settings. Tackling this arduous challenge first necessitates defining what it means for an ML model to be fair. This has been addressed by the ML…

Machine Learning · Computer Science 2024-08-30 Selim Kuzucu , Jiaee Cheong , Hatice Gunes , Sinan Kalkan

Machine learning (ML) models are increasingly being used in metrology applications. However, for ML models to be credible in a metrology context they should be accompanied by principled uncertainty quantification. This paper addresses the…

Machine Learning · Computer Science 2024-05-09 Andrew Thompson

Machine learning (ML) provides us with numerous opportunities, allowing ML systems to adapt to new situations and contexts. At the same time, this adaptability raises uncertainties concerning the run-time product quality or dependability,…

Software Engineering · Computer Science 2022-10-18 Lalli Myllyaho , Mikko Raatikainen , Tomi Männistö , Jukka K. Nurminen , Tommi Mikkonen

This paper argues the need for research to realize uncertainty-aware artificial intelligence and machine learning (AI\&ML) systems for decision support by describing a number of motivating scenarios. Furthermore, the paper defines…

Artificial Intelligence · Computer Science 2018-09-24 Lance Kaplan , Federico Cerutti , Murat Sensoy , Alun Preece , Paul Sullivan

Most machine learning techniques are based upon statistical learning theory, often simplified for the sake of computing speed. This paper is focused on the uncertainty aspect of mathematical modeling in machine learning. Regression analysis…

Machine Learning · Computer Science 2022-06-07 Valentin Arkov

The application of machine learning (ML) techniques in wireless communication domain has seen a tremendous growth over the years especially in the wireless sensing domain. However, the questions surrounding the ML model's inference…

Signal Processing · Electrical Eng. & Systems 2022-10-13 Amit Kachroo , Sai Prashanth Chinnapalli

In machine learning (ML), it is in general challenging to provide a detailed explanation on how a trained model arrives at its prediction. Thus, usually we are left with a black-box, which from a scientific standpoint is not satisfactory.…

Materials Science · Physics 2021-04-22 Luca M. Ghiringhelli

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

Modelling uncertainty in Machine Learning models is essential for achieving safe and reliable predictions. Most research on uncertainty focuses on output uncertainty (predictions), but minimal attention is paid to uncertainty at inputs. We…

Machine Learning · Computer Science 2024-06-28 Matias Valdenegro-Toro , Ivo Pascal de Jong , Marco Zullich

Model uncertainty is a crucial issue in statistics, econometrics and machine learning, yet its definition remains ambiguous and is subject to various interpretations in the literature. So far, there has not been a universally accepted…

Methodology · Statistics 2025-08-12 Guangyuan Cui , Yuting Wei , Xinyu Zhang

The adoption of machine learning (ML) components in software systems raises new engineering challenges. In particular, the inherent uncertainty regarding functional suitability and the operation environment makes architecture evaluation and…

Software Engineering · Computer Science 2020-08-10 Alex Serban , Erik Poll , Joost Visser

Mechanical metamaterials represent an innovative class of artificial structures, distinguished by their extraordinary mechanical characteristics, which are beyond the scope of traditional natural materials. The use of deep generative models…

Signal Processing · Electrical Eng. & Systems 2024-07-31 Zihan Wang , Anindya Bhaduri , Hongyi Xu , Liping Wang

Uncertainty in large language model (LLM)-based systems is often studied at the level of a single model output, yet deployed LLM applications are compound systems in which uncertainty is transformed and reused across model internals,…

Software Engineering · Computer Science 2026-04-28 Boming Xia , Liming Zhu , Erdun Gao , Qinghua Lu , Minhui Xue , Dino Sejdinovic

Materials design and development typically takes several decades from the initial discovery to commercialization with the traditional trial and error development approach. With the accumulation of data from both experimental and…

Materials Science · Physics 2017-07-18 Xiaojiao Yu

Probing techniques have shown promise in revealing how LLMs encode human-interpretable concepts, particularly when applied to curated datasets. However, the factors governing a dataset's suitability for effective probe training are not…

Artificial Intelligence · Computer Science 2025-05-27 Yongjie Wang , Yibo Wang , Xin Zhou , Zhiqi Shen

Machine learning (ML)-accelerated discovery requires large amounts of high-fidelity data to reveal predictive structure-property relationships. For many properties of interest in materials discovery, the challenging nature and high cost of…

Chemical Physics · Physics 2021-11-04 Aditya Nandy , Chenru Duan , Heather J. Kulik

The recent performance leap of Large Language Models (LLMs) opens up new opportunities across numerous industrial applications and domains. However, erroneous generations, such as false predictions, misinformation, and hallucination made by…

Software Engineering · Computer Science 2025-01-07 Yuheng Huang , Jiayang Song , Zhijie Wang , Shengming Zhao , Huaming Chen , Felix Juefei-Xu , Lei Ma

Machine learning (ML) has emerged as a powerful tool for tackling complex regression and classification tasks, yet its success often hinges on the quality of training data. This study introduces an ML paradigm inspired by domain knowledge…

Machine Learning · Computer Science 2025-01-10 Mohsen Rashki