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Post-hoc calibration methods are widely used to improve the reliability of probabilistic predictions from machine learning models. Despite their prevalence, a comprehensive theoretical understanding of these methods remains elusive,…

Machine Learning · Computer Science 2025-09-30 Kristina P. Sinaga , Arjun S. Nair

Despite the recent progress in deep neural networks (DNNs), it remains challenging to explain the predictions made by DNNs. Existing explanation methods for DNNs mainly focus on post-hoc explanations where another explanatory model is…

Machine Learning · Computer Science 2024-01-04 Wei Qian , Chenxu Zhao , Yangyi Li , Fenglong Ma , Chao Zhang , Mengdi Huai

The interpretability of model has become one of the obstacles to its wide application in the high-stake fields. The usual way to obtain interpretability is to build a black-box first and then explain it using the post-hoc methods. However,…

Machine Learning · Computer Science 2023-04-04 Zihao Chen , Xiaomeng Wang , Yuanjiang Huang , Tao Jia

Building Virtual Cells that can accurately simulate cellular responses to perturbations is a long-standing goal in systems biology. A fundamental challenge is that high-throughput single-cell sequencing is destructive: the same cell cannot…

Machine Learning · Computer Science 2026-02-24 Xinyu Yuan , Xixian Liu , Ya Shi Zhang , Zuobai Zhang , Hongyu Guo , Jian Tang

A key challenge in probabilistic regression is ensuring that predictive distributions accurately reflect true empirical uncertainty. Minimizing overall prediction error often encourages models to prioritize informativeness over calibration,…

Machine Learning · Statistics 2026-02-17 Ádám Jung , Domokos M. Kelen , András A. Benczúr

The validity of statistical inference depends critically on how data are collected. When data gathered through active data collection (ADC) are reused for a post-hoc inferential task, conventional inference can fail because the sampling is…

Machine Learning · Statistics 2026-05-13 Shuichi Nishino , Tomohiro Shiraishi , Teruyuki Katsuoka , Ichiro Takeuchi

Although standard Convolutional Neural Networks (CNNs) can be mathematically reinterpreted as Self-Explainable Models (SEMs), their built-in prototypes do not on their own accurately represent the data. Replacing the final linear layer with…

Computer Vision and Pattern Recognition · Computer Science 2026-03-31 Ahcène Boubekki , Line H. Clemmensen

Deep Neural Networks are prone to learning and relying on spurious correlations in the training data, which, for high-risk applications, can have fatal consequences. Various approaches to suppress model reliance on harmful features have…

Machine Learning · Computer Science 2024-04-16 Dilyara Bareeva , Maximilian Dreyer , Frederik Pahde , Wojciech Samek , Sebastian Lapuschkin

Attention-based architectures, in particular transformers, are at the heart of a technological revolution. Interestingly, in addition to helping obtain state-of-the-art results on a wide range of applications, the attention mechanism…

Machine Learning · Statistics 2025-10-22 Gianluigi Lopardo , Frederic Precioso , Damien Garreau

Behavior of neural networks is irremediably determined by the specific loss and data used during training. However it is often desirable to tune the model at inference time based on external factors such as preferences of the user or…

Computer Vision and Pattern Recognition · Computer Science 2023-04-04 Matteo Maggioni , Thomas Tanay , Francesca Babiloni , Steven McDonagh , Aleš Leonardis

Since the seminal paper of Hendrycks et al. arXiv:1610.02136, Post-hoc deep Out-of-Distribution (OOD) detection has expanded rapidly. As a result, practitioners working on safety-critical applications and seeking to improve the robustness…

Machine Learning · Statistics 2024-07-11 Paul Novello , Yannick Prudent , Joseba Dalmau , Corentin Friedrich , Yann Pequignot

The problem of sequential change diagnosis is considered, where observations are obtained on-line, an abrupt change occurs in their distribution, and the goal is to quickly detect the change and accurately identify the post-change…

Statistics Theory · Mathematics 2022-11-24 Austin Warner , Georgios Fellouris

Out-of-distribution (OOD) detection in deep learning has traditionally been framed as a binary task, where samples are either classified as belonging to the known classes or marked as OOD, with little attention given to the semantic…

Machine Learning · Computer Science 2025-03-28 Erik Wallin , Fredrik Kahl , Lars Hammarstrand

Neural networks have achieved impressive performance for data in the distribution which is the same as the training set but can produce an overconfident incorrect result for the data these networks have never seen. Therefore, it is…

Machine Learning · Computer Science 2022-08-22 Jinhong Lin

We introduce a new approach to learning in hierarchical latent-variable generative models called the "distributed distributional code Helmholtz machine", which emphasises flexibility and accuracy in the inferential process. In common with…

Machine Learning · Statistics 2018-05-29 Eszter Vertes , Maneesh Sahani

We present PredProp, a method for optimization of weights and states in predictive coding networks (PCNs) based on the precision of propagated errors and neural activity. PredProp jointly addresses inference and learning via stochastic…

Machine Learning · Computer Science 2023-05-08 André Ofner , Sebastian Stober

Concept Bottleneck Models (CBMs) are interpretable models that predict the target variable through high-level human-understandable concepts, allowing users to intervene on mispredicted concepts to adjust the final output. While recent work…

Machine Learning · Computer Science 2026-03-17 Wiktor Jan Hoffmann , Sonia Laguna , Moritz Vandenhirtz , Emanuele Palumbo , Julia E. Vogt

The interpretability of machine learning models has gained increasing attention, particularly in scientific domains where high precision and accountability are crucial. This research focuses on distinguishing between two critical data…

Machine Learning · Computer Science 2024-07-02 Jiajun Zhu , Siqi Miao , Rex Ying , Pan Li

Calibration of neural networks is a critical aspect to consider when incorporating machine learning models in real-world decision-making systems where the confidence of decisions are equally important as the decisions themselves. In recent…

Machine Learning · Computer Science 2022-02-22 Amir Rahimi , Thomas Mensink , Kartik Gupta , Thalaiyasingam Ajanthan , Cristian Sminchisescu , Richard Hartley

This paper is concerned with model predictive control (MPC) of discrete-time linear systems subject to bounded additive disturbance and mixed constraints on the state and input, whereas the true disturbance set is unknown. Unlike most…

Optimization and Control · Mathematics 2024-05-22 Yulong Gao , Shuhao Yan , Jian Zhou , Mark Cannon , Alessandro Abate , Karl H. Johansson
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