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We investigate the landscape of the negative log-likelihood function of Gaussian Mixture Models (GMMs) with a general number of components in the population limit. As the objective function is non-convex, there can be multiple local minima…

Machine Learning · Statistics 2026-01-21 Yudong Chen , Dogyoon Song , Xumei Xi , Yuqian Zhang

The interpretation of ligand-target interactions at atomistic resolution is central to most efforts in computational drug discovery and optimization. However, the highly dynamic nature of protein targets, as well as possible induced fit…

Biomolecules · Quantitative Biology 2024-12-04 Lara Callea , Camilla Caprai , Laura Bonati , Toni Giorgino , Stefano Motta

The growing amount of data produced by simulations and observations of space physics processes encourages the use of methods rooted in Machine Learning for data analysis and physical discovery. We apply a clustering method based on…

Plasma Physics · Physics 2023-04-27 Sophia Köhne , Elisabetta Boella , Maria Elena Innocenti

We study the gradient Expectation-Maximization (EM) algorithm for Gaussian Mixture Models (GMM) in the over-parameterized setting, where a general GMM with $n>1$ components learns from data that are generated by a single ground truth…

Machine Learning · Computer Science 2025-06-03 Weihang Xu , Maryam Fazel , Simon S. Du

In the recent years, there is a growing interest in semi-supervised learning, since, in many learning tasks, there is a plentiful supply of unlabeled data, but insufficient labeled ones. Hence, Semi-Supervised learning models can benefit…

Machine Learning · Computer Science 2020-03-27 Pedro H. M. Braga , Hansenclever F. Bassani

Deep learning is a hierarchical inference method formed by subsequent multiple layers of learning able to more efficiently describe complex relationships. In this work, Deep Gaussian Mixture Models are introduced and discussed. A Deep…

Machine Learning · Statistics 2017-11-21 Cinzia Viroli , Geoffrey J. McLachlan

Mixture density networks are neural networks that produce Gaussian mixtures to represent continuous multimodal conditional densities. Standard training procedures involve maximum likelihood estimation using the negative log-likelihood (NLL)…

Machine Learning · Computer Science 2026-02-12 Yutao Chen , Jasmine Bayrooti , Steven Morad

We investigate the link between regularised self-transport problems and maximum likelihood estimation in Gaussian mixture models (GMM). This link suggests that self-transport followed by a clustering technique leads to principled estimators…

Statistics Theory · Mathematics 2023-11-07 Gilles Mordant

We present a new subspace-based method to construct probabilistic models for high-dimensional data and highlight its use in anomaly detection. The approach is based on a statistical estimation of probability density using densities of…

Machine Learning · Computer Science 2021-08-16 Cetin Savkli , Catherine Schwartz

The Self-Organizing Map (SOM) is a brain-inspired neural model that is very promising for unsupervised learning, especially in embedded applications. However, it is unable to learn efficient prototypes when dealing with complex datasets. We…

Neural and Evolutionary Computing · Computer Science 2020-09-07 Lyes Khacef , Laurent Rodriguez , Benoit Miramond

This paper defines a new learning architecture, Layered Self-Organizing Maps (LSOMs), that uses the SOM and supervised-SOM learning algorithms. The architecture is validated with the MNIST database of hand-written digit images. LSOMs are…

Computer Vision and Pattern Recognition · Computer Science 2018-03-29 David Friedlander

This work focuses on the mixed membership models for multivariate categorical data widely used for analyzing survey responses and population genetics data. These grade of membership (GoM) models offer rich modeling power but present…

Methodology · Statistics 2024-12-30 Ling Chen , Chengzhu Huang , Yuqi Gu

SOM is a type of unsupervised learning where the goal is to discover some underlying structure of the data. In this paper, a new extraction method based on the main idea of Concurrent Self-Organizing Maps (CSOM), representing a…

Computer Vision and Pattern Recognition · Computer Science 2014-08-21 Mohammed M. Abdelsamea

Studies of functional MRI data are increasingly concerned with the estimation of differences in spatio-temporal networks across groups of subjects or experimental conditions. Unsupervised clustering and independent component analysis (ICA)…

Autonomous agents rely on sensor data to construct representations of their environments, essential for predicting future events and planning their actions. However, sensor measurements suffer from limited range, occlusions, and sensor…

Machine learning systems operate under the assumption that training and test data are sampled from a fixed probability distribution. However, this assumptions is rarely verified in practice, as the conditions upon which data was acquired…

Machine Learning · Computer Science 2025-07-09 Eduardo Fernandes Montesuma , Fred Maurice Ngolè Mboula , Antoine Souloumiac

In Gaussian graphical models, the likelihood equations must typically be solved iteratively. We investigate two algorithms: A version of iterative proportional scaling which avoids inversion of large matrices, and an algorithm based on…

Computation · Statistics 2023-12-12 Søren Højsgaard , Steffen Lauritzen

Mapping with uncertainty representation is required in many research domains, especially for localization. Although there are many investigations regarding the uncertainty of the pose estimation of an ego-robot with map information, the…

Robotics · Computer Science 2023-08-30 Qianqian Zou , Claus Brenner , Monika Sester

With the discovery of Wasserstein GANs, Optimal Transport (OT) has become a powerful tool for large-scale generative modeling tasks. In these tasks, OT cost is typically used as the loss for training GANs. In contrast to this approach, we…

Machine Learning · Computer Science 2022-03-08 Litu Rout , Alexander Korotin , Evgeny Burnaev

We introduce a multidimensional, neural-network approach to reveal and measure urban segregation phenomena, based on the Self-Organizing Map algorithm (SOM). The multidimensionality of SOM allows one to apprehend a large number of variables…

Physics and Society · Physics 2018-06-06 Madalina Olteanu , Aurélien Hazan , Marie Cottrell , Julien Randon-Furling