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Deep neural networks tend to make overconfident predictions and often require additional detectors for misclassifications, particularly for safety-critical applications. Existing detection methods usually only focus on adversarial attacks…

Machine Learning · Computer Science 2023-07-07 Julia Lust , Alexandru P. Condurache

For many applications, an ensemble of base classifiers is an effective solution. The tuning of its parameters(number of classes, amount of data on which each classifier is to be trained on, etc.) requires G, the generalization error of a…

Graph neural networks (GNNs) are quickly becoming the standard approach for learning on graph structured data across several domains, but they lack transparency in their decision-making. Several perturbation-based approaches have been…

Machine Learning · Computer Science 2021-11-29 Anna Himmelhuber , Mitchell Joblin , Martin Ringsquandl , Thomas Runkler

Deep generative models, while revolutionizing fields like image and text generation, largely operate as opaque ``black boxes'', hindering human understanding, control, and alignment. While methods like sparse autoencoders (SAEs) show…

Machine Learning · Computer Science 2026-04-03 Lingjing Kong , Shaoan Xie , Guangyi Chen , Yuewen Sun , Xiangchen Song , Eric P. Xing , Kun Zhang

Estimating uncertainty in deep learning models is critical for reliable decision-making in high-stakes applications such as medical imaging. Prior research has established that the difference between an input sample and its reconstructed…

Machine Learning · Computer Science 2026-01-28 Xinran Xu , Li Rong Wang , Xiuyi Fan

We review some recent work on removing hidden confounding and causal regularization from a unified viewpoint. We describe how simple and user-friendly techniques improve stability, replicability and distributional robustness in…

Methodology · Statistics 2020-08-17 Peter Bühlmann , Domagoj Ćevid

Explaining Graph Neural Networks (GNNs) has garnered significant attention due to the need for interpretability, enabling users to understand the behavior of these black-box models better and extract valuable insights from their…

Machine Learning · Computer Science 2025-06-03 Jiaxing Zhang , Xiaoou Liu , Dongsheng Luo , Hua Wei

In physics one attempts to infer the rules governing a system given only the results of imperfect measurements. Hence, microscopic theories may be effectively indistinguishable experimentally. We develop an operationally motivated procedure…

Quantum Physics · Physics 2015-08-07 Cédric Bény , Tobias J. Osborne

A central challenge in the study of complex systems is the quantification of emergence -- understood as the ability of the system to exhibit collective behaviours that cannot be traced down to the individual components. While recent work…

As attribution-based explanation methods are increasingly used to establish model trustworthiness in high-stakes situations, it is critical to ensure that these explanations are stable, e.g., robust to infinitesimal perturbations to an…

Recent advancements in machine learning have emphasized the need for transparency in model predictions, particularly as interpretability diminishes when using increasingly complex architectures. In this paper, we propose leveraging…

Machine Learning · Computer Science 2025-07-18 Chenrui Zhu , Louenas Bounia , Vu Linh Nguyen , Sébastien Destercke , Arthur Hoarau

Diverse explainability methods of graph neural networks (GNN) have recently been developed to highlight the edges and nodes in the graph that contribute the most to the model predictions. However, it is not clear yet how to evaluate the…

Artificial Intelligence · Computer Science 2023-11-07 Kenza Amara , Mennatallah El-Assady , Rex Ying

Data-driven surrogate modeling has surged in capability in recent years with the emergence of graph neural networks (GNNs), which can operate directly on mesh-based representations of data. The goal of this work is to introduce an…

Machine Learning · Computer Science 2024-10-25 Shivam Barwey , Hojin Kim , Romit Maulik

The widespread deployment of Graph Neural Networks (GNNs) sparks significant interest in their explainability, which plays a vital role in model auditing and ensuring trustworthy graph learning. The objective of GNN explainability is to…

Machine Learning · Computer Science 2023-10-31 Jialin Chen , Shirley Wu , Abhijit Gupta , Rex Ying

The increasing reliance on ML models in high-stakes tasks has raised a major concern on fairness violations. Although there has been a surge of work that improves algorithmic fairness, most of them are under the assumption of an identical…

Machine Learning · Computer Science 2023-01-18 Bang An , Zora Che , Mucong Ding , Furong Huang

In reliable decision-making systems based on machine learning, models have to be robust to distributional shifts or provide the uncertainty of their predictions. In node-level problems of graph learning, distributional shifts can be…

Machine Learning · Computer Science 2023-11-02 Gleb Bazhenov , Denis Kuznedelev , Andrey Malinin , Artem Babenko , Liudmila Prokhorenkova

Feature attribution is widely used in interpretable machine learning to explain how influential each measured input feature value is for an output inference. However, measurements can be uncertain, and it is unclear how the awareness of…

Machine Learning · Computer Science 2021-01-26 Danding Wang , Wencan Zhang , Brian Y. Lim

This paper focuses on explaining changes over time in globally-sourced, annual temporal data, with the specific objective of identifying pivotal factors that contribute to these temporal shifts. Leveraging such analytical frameworks can…

Machine Learning · Computer Science 2024-04-19 Shou Nakano , Yang Liu

Learning interpretable and human-controllable representations that uncover factors of variation in data remains an ongoing key challenge in representation learning. We investigate learning group-disentangled representations for groups of…

Machine Learning · Computer Science 2021-10-26 Linh Tran , Amir Hosein Khasahmadi , Aditya Sanghi , Saeid Asgari

Machine learning models that operate on graph-structured data, such as molecular graphs or social networks, often make accurate predictions but offer little insight into why certain predictions are made. Counterfactual explanations address…

Machine Learning · Computer Science 2025-11-21 David Bechtoldt , Sidney Bender
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