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Molecular Property Prediction (MPP) is vital for drug discovery, crop protection, and environmental science. Over the last decades, diverse computational techniques have been developed, from using simple physical and chemical properties and…

Machine Learning · Computer Science 2024-04-08 Afnan Sultan , Jochen Sieg , Miriam Mathea , Andrea Volkamer

We study the inverse problem of estimating a field $u$ from data comprising a finite set of nonlinear functionals of $u$, subject to additive noise; we denote this observed data by $y$. Our interest is in the reconstruction of piecewise…

Numerical Analysis · Mathematics 2016-09-13 Matthew M. Dunlop , Andrew M. Stuart

Transformer has become ubiquitous due to its dominant performance in various NLP and image processing tasks. However, it lacks understanding of how to generate mathematically grounded uncertainty estimates for transformer architectures.…

Computation and Language · Computer Science 2022-06-03 Karthik Abinav Sankararaman , Sinong Wang , Han Fang

Permutation polynomials with explicit constructions over finite fields have long been a topic of great interest in number theory. In recent years, by applying linear translators of functions from $\mathbb{F}_{q^n}$ to $\mathbb{F}_q$, many…

Number Theory · Mathematics 2025-02-27 Xuan Pang , Pingzhi Yuan , Hongjian Li

This paper unifies and extends results on a class of multivariate Extreme Value (EV) models studied by Hougaard, Crowder, and Tawn. In these models both unconditional and conditional distributions are EV, and all lower-dimensional marginals…

Methodology · Statistics 2013-09-30 Anne-Laure Fougères , John P. Nolan , Holger Rootzén

Transformer-based models generate hidden states that are difficult to interpret. In this work, we analyze hidden states and modify them at inference, with a focus on motion forecasting. We use linear probing to analyze whether interpretable…

Machine Learning · Computer Science 2025-05-19 Omer Sahin Tas , Royden Wagner

In this paper we focus on the estimation of mutual information from finite samples $(\mathcal{X}\times\mathcal{Y})$. The main concern with estimations of mutual information is their robustness under the class of transformations for which it…

Data Analysis, Statistics and Probability · Physics 2020-02-04 Nicholas Carrara , Jesse Ernst

We show that density models describing multiple observables with (i) hard boundaries and (ii) dependence on external parameters may be created using an auto-regressive Gaussian mixture model. The model is designed to capture how observable…

Data Analysis, Statistics and Probability · Physics 2022-02-01 Stephen B. Menary , Darren D. Price

Robust estimators for generalized linear models (GLMs) are not easy to develop due to the nature of the distributions involved. Recently, there has been growing interest in robust estimation methods, particularly in contexts involving a…

Methodology · Statistics 2025-07-08 Marina Valdora , Claudio Agostinelli

We introduce the notions of generalized and weighted generalized $\psi$-estimators as unique points of sign change of some appropriate functions, and we give necessary as well as sufficient conditions for their existence. We also derive a…

Statistics Theory · Mathematics 2025-09-16 Matyas Barczy , Zsolt Páles

Multivariate normal mixtures provide a flexible model for high-dimensional data. They are widely used in statistical genetics, statistical finance, and other disciplines. Due to the unboundedness of the likelihood function, classical…

Statistics Theory · Mathematics 2008-05-27 Jiahua Chen , Xianming Tan

This document aims to be a self-contained, mathematically precise overview of transformer architectures and algorithms (*not* results). It covers what transformers are, how they are trained, what they are used for, their key architectural…

Machine Learning · Computer Science 2022-07-26 Mary Phuong , Marcus Hutter

One of the main approaches used to construct prior distributions for objective Bayes methods is the concept of random imaginary observations. Under this setup, the expected-posterior prior (EPP) offers several advantages, among which it has…

Methodology · Statistics 2020-10-09 Dimitris Fouskakis , Ioannis Ntzoufras

Graphical models in probability and statistics are a core concept in the area of probabilistic reasoning and probabilistic programming-graphical models include Bayesian networks and factor graphs. In this paper we develop a new model of…

Artificial Intelligence · Computer Science 2022-01-20 Albert Benveniste , Jean-Baptiste Raclet

One critical component in lossy deep image compression is the entropy model, which predicts the probability distribution of the quantized latent representation in the encoding and decoding modules. Previous works build entropy models upon…

Image and Video Processing · Electrical Eng. & Systems 2023-03-16 Yichen Qian , Ming Lin , Xiuyu Sun , Zhiyu Tan , Rong Jin

Maximum likelihood estimation is a common method of estimating the parameters of the probability distribution from a given sample. This paper aims to introduce the maximum likelihood estimation in the framework of sublinear expectation. We…

Probability · Mathematics 2023-01-16 Xinpeng Li , Yue Liu , Jiaquan Lu

This paper proposes an extension of standard mixture stochastic models, by replacing the constant mixture weights with functional weights defined using a classifier. Classifier Weighted Mixtures enable straightforward density evaluation,…

Machine Learning · Statistics 2025-01-07 Elouan Argouarc'h , François Desbouvries , Eric Barat , Eiji Kawasaki , Thomas Dautremer

Sequence modelling requires determining which past tokens are causally relevant from the context and their importance: a process inherent to the attention layers in transformers, yet whose underlying learned mechanisms remain poorly…

Machine Learning · Computer Science 2026-04-14 Francesco D'Angelo , Nicolas Flammarion

Existing eye fixation prediction methods perform the mapping from input images to the corresponding dense fixation maps generated from raw fixation points. However, due to the stochastic nature of human fixation, the generated dense…

Computer Vision and Pattern Recognition · Computer Science 2024-03-25 Peipei Song , Jing Zhang , Piotr Koniusz , Nick Barnes

Possibilistic and qualitative POMDPs (pi-POMDPs) are counterparts of POMDPs used to model situations where the agent's initial belief or observation probabilities are imprecise due to lack of past experiences or insufficient data…

Artificial Intelligence · Computer Science 2013-09-27 Nicolas Drougard , Florent Teichteil-Konigsbuch , Jean-Loup Farges , Didier Dubois
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