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Uncertainty analysis in the outcomes of model predictions is a key element in decision-based material design to establish confidence in the models and evaluate the fidelity of models. Uncertainty Propagation (UP) is a technique to determine…

Machine Learning · Computer Science 2023-02-13 Danial Khatamsaz , Vahid Attari , Raymundo Arroyave , Douglas L. Allaire

Despite their prevalence in neural networks we still lack a thorough theoretical characterization of ReLU layers. This paper aims to further our understanding of ReLU layers by studying how the activation function ReLU interacts with the…

Machine Learning · Computer Science 2019-08-13 Sören Dittmer , Emily J. King , Peter Maass

Large language models (LLMs) are prone to hallucinations, i.e., statements unsupported by the input or training data, hindering reliable deployment. In parallel, numerous uncertainty estimation (UE) methods have been proposed to quantify…

Computation and Language · Computer Science 2026-05-27 Yedidia Agnimo , Anna Korba , Annabelle Blangero , Nicolas Chesneau , Karteek Alahari

While Bayesian neural networks (BNNs) hold the promise of being flexible, well-calibrated statistical models, inference often requires approximations whose consequences are poorly understood. We study the quality of common variational…

Machine Learning · Statistics 2020-10-26 Andrew Y. K. Foong , David R. Burt , Yingzhen Li , Richard E. Turner

Previous work has demonstrated that MLPs within ReLU Transformers exhibit high levels of sparsity, with many of their activations equal to zero for any given token. We build on that work to more deeply explore how token-level sparsity…

Machine Learning · Computer Science 2024-07-11 Cody Wild , Jesper Anderson

We present a fully constructive analysis of deep ReLU neural networks for classification and function approximation tasks. First, we prove that any dataset with $N$ distinct points in $\mathbb{R}^d$ and $M$ output classes can be exactly…

Machine Learning · Statistics 2025-06-25 Martín Hernández , Enrique Zuazua

Multimodal Large Language Models (MLLMs) often struggle with fine-grained perception, such as identifying small objects in high-resolution images or detecting key moments in long videos. Existing methods typically rely on complex,…

Computer Vision and Pattern Recognition · Computer Science 2026-03-16 Sanghwan Kim , Rui Xiao , Stephan Alaniz , Yongqin Xian , Zeynep Akata

Large language models (LLMs) have demonstrated impressive capabilities, yet their internal mechanisms for handling reasoning-intensive tasks remain underexplored. To advance the understanding of model-internal processing mechanisms, we…

Computation and Language · Computer Science 2026-04-20 Tanja Baeumel , Josef van Genabith , Simon Ostermann

Performance prediction, the task of estimating a system's performance without performing experiments, allows us to reduce the experimental burden caused by the combinatorial explosion of different datasets, languages, tasks, and models. In…

Computation and Language · Computer Science 2021-02-11 Zihuiwen Ye , Pengfei Liu , Jinlan Fu , Graham Neubig

Large Language Models (LLMs) have demonstrated inherent calibration capabilities, where predicted probabilities align well with correctness, despite prior findings that deep neural networks are often overconfident. Recent studies have…

Machine Learning · Computer Science 2025-11-04 Abhinav Joshi , Areeb Ahmad , Ashutosh Modi

Multilayer (or deep) networks are powerful probabilistic models based on multiple stages of a linear transform followed by a non-linear (possibly random) function. In general, the linear transforms are defined by matrices and the non-linear…

Information Theory · Computer Science 2017-10-13 Galen Reeves

Rectified Linear Units (ReLUs) have been shown to ameliorate the vanishing gradient problem, allow for efficient backpropagation, and empirically promote sparsity in the learned parameters. They have led to state-of-the-art results in a…

Machine Learning · Computer Science 2016-05-30 Xingyuan Pan , Vivek Srikumar

A learning algorithm for multilayer perceptrons is presented which is based on finding the principal components of a correlation matrix computed from the example inputs and their target outputs. For large networks our procedure needs far…

Disordered Systems and Neural Networks · Physics 2007-05-23 C. Bunzmann , M. Biehl , R. Urbanczik

As Large Language Models (LLMs) are increasingly integrated in diverse applications, obtaining reliable measures of their predictive uncertainty has become critically important. A precise distinction between aleatoric uncertainty, arising…

We describe Bayesian Layers, a module designed for fast experimentation with neural network uncertainty. It extends neural network libraries with drop-in replacements for common layers. This enables composition via a unified abstraction…

Machine Learning · Computer Science 2019-03-07 Dustin Tran , Michael W. Dusenberry , Mark van der Wilk , Danijar Hafner

Large Language Models (LLMs) are powerful linguistic engines but remain susceptible to hallucinations: plausible-sounding outputs that are factually incorrect or unsupported. In this work, we present a mathematically grounded framework to…

Computation and Language · Computer Science 2025-11-20 Moses Kiprono

Neural Linear Models (NLM) are deep Bayesian models that produce predictive uncertainty by learning features from the data and then performing Bayesian linear regression over these features. Despite their popularity, few works have focused…

Machine Learning · Statistics 2021-06-25 Cooper Lorsung

Deep learning methods continue to have a decided impact on machine learning, both in theory and in practice. Statistical theoretical developments have been mostly concerned with approximability or rates of estimation when recovering…

Statistics Theory · Mathematics 2021-04-07 Yuexi Wang , Veronika Ročková

Uncertainty estimation is important for deploying LLMs in high-stakes applications such as healthcare and finance, where hallucinations can appear fluent and plausible while being factually incorrect, making it difficult for users to judge…

Machine Learning · Computer Science 2026-05-08 Mingcheng Zhu , Yu Liu , Tingting Zhu

In this work we revisit the most fundamental building block in deep learning, the multi-layer perceptron (MLP), and study the limits of its performance on vision tasks. Empirical insights into MLPs are important for multiple reasons. (1)…

Machine Learning · Computer Science 2023-10-04 Gregor Bachmann , Sotiris Anagnostidis , Thomas Hofmann
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