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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

Reliably assessing model confidence in deep learning and predicting errors likely to be made are key elements in providing safety for model deployment, in particular for applications with dire consequences. In this paper, it is first shown…

Machine Learning · Computer Science 2020-10-21 Theodoros Tsiligkaridis

The use of machine learning (ML) has become increasingly prevalent in various domains, highlighting the importance of understanding and ensuring its safety. One pressing concern is the vulnerability of ML applications to model stealing…

Machine Learning · Computer Science 2026-04-07 Ganghua Wang , Yuhong Yang , Jie Ding

Deep learning (DL) has shown great potential in digital pathology applications. The robustness of a diagnostic DL-based solution is essential for safe clinical deployment. In this work we evaluate if adding uncertainty estimates for DL…

Machine Learning · Computer Science 2022-05-23 Milda Pocevičiūtė , Gabriel Eilertsen , Sofia Jarkman , Claes Lundström

This paper examines the evolving landscape of machine learning (ML) and its profound impact across various sectors, with a special focus on the emerging field of Privacy-preserving Machine Learning (PPML). As ML applications become…

Cryptography and Security · Computer Science 2025-01-30 Chaoyu Zhang , Shaoyu Li

Machine learning models have emerged as a very effective strategy to sidestep time-consuming electronic-structure calculations, enabling accurate simulations of greater size, time scale and complexity. Given the interpolative nature of…

Extensive research on formal verification of machine learning (ML) systems indicates that learning from data alone often fails to capture underlying background knowledge. A variety of verifiers have been developed to ensure that a…

Logic in Computer Science · Computer Science 2023-11-17 Thomas Flinkow , Barak A. Pearlmutter , Rosemary Monahan

Reinforcement Learning (RL) has demonstrated state-of-the-art results in a number of autonomous system applications, however many of the underlying algorithms rely on black-box predictions. This results in poor explainability of the…

Machine Learning · Computer Science 2019-11-27 Matt Benatan , Edward O. Pyzer-Knapp

A task of interest in machine learning (ML) is that of ascribing explanations to the predictions made by ML models. Furthermore, in domains deemed high risk, the rigor of explanations is paramount. Indeed, incorrect explanations can and…

Artificial Intelligence · Computer Science 2025-07-11 Mohamed Siala , Jordi Planes , Joao Marques-Silva

In this paper, we show how uncertainty estimation can be leveraged to enable safety critical image segmentation in autonomous driving, by triggering a fallback behavior if a target accuracy cannot be guaranteed. We introduce a new…

Computer Vision and Pattern Recognition · Computer Science 2021-05-31 Victor Besnier , David Picard , Alexandre Briot

Black-box machine learning models are used in critical decision-making domains, giving rise to several calls for more algorithmic transparency. The drawback is that model explanations can leak information about the training data and the…

Machine Learning · Computer Science 2020-06-17 Neel Patel , Reza Shokri , Yair Zick

Uncertainty quantification is crucial for building reliable and trustable machine learning systems. We propose to estimate uncertainty in recurrent neural networks (RNNs) via stochastic discrete state transitions over recurrent timesteps.…

Machine Learning · Computer Science 2020-11-25 Cheng Wang , Carolin Lawrence , Mathias Niepert

Trustworthy machine learning is of primary importance to the practical deployment of deep learning models. While state-of-the-art models achieve astonishingly good performance in terms of accuracy, recent literature reveals that their…

Machine Learning · Computer Science 2023-02-07 Ailin Deng , Shen Li , Miao Xiong , Zhirui Chen , Bryan Hooi

Training machine learning (ML) models typically involves expensive iterative optimization. Once the model's final parameters are released, there is currently no mechanism for the entity which trained the model to prove that these parameters…

Numerous real-world decisions rely on machine learning algorithms and require calibrated uncertainty estimates. However, modern methods often yield overconfident, uncalibrated predictions. The dominant approach to quantifying the…

Language models can learn a range of capabilities from unsupervised training on text corpora. However, to solve a particular problem (such as text summarization) it is typically necessary to fine-tune them on a task-specific dataset. It is…

Computation and Language · Computer Science 2022-03-16 Adam Gleave , Geoffrey Irving

Cautious predictions -- where a machine learning model abstains when uncertain -- are crucial for limiting harmful errors in safety-critical applications. In this work, we identify a novel threat: a dishonest institution can exploit these…

Cryptography and Security · Computer Science 2025-06-02 Stephan Rabanser , Ali Shahin Shamsabadi , Olive Franzese , Xiao Wang , Adrian Weller , Nicolas Papernot

With the introduction of data protection and privacy regulations, it has become crucial to remove the lineage of data on demand from a machine learning (ML) model. In the last few years, there have been notable developments in machine…

Machine Learning · Computer Science 2023-06-01 Ayush K Tarun , Vikram S Chundawat , Murari Mandal , Mohan Kankanhalli

Reliable uncertainty estimation has become a crucial requirement for the industrial deployment of deep learning algorithms, particularly in high-risk applications such as autonomous driving and medical diagnosis. However, mainstream…

Machine Learning · Computer Science 2024-09-10 Junyu Gao , Mengyuan Chen , Liangyu Xiang , Changsheng Xu

Reliable uncertainty estimation is critical for deploying neural networks (NNs) in real-world applications. While existing calibration techniques often rely on post-hoc adjustments or coarse-grained binning methods, they remain limited in…

Machine Learning · Computer Science 2025-05-30 Pedro Mendes , Paolo Romano , David Garlan
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