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Automated analyses of the outcome of a simulation have been an important part of atomistic modeling since the early days, addressing the need of linking the behavior of individual atoms and the collective properties that are usually the…

Chemical Physics · Physics 2019-05-22 Michele Ceriotti

Deep neural models have achieved state of the art performance on a wide range of problems in computer science, especially in computer vision. However, deep neural networks often require large datasets of labeled samples to generalize…

Computer Vision and Pattern Recognition · Computer Science 2026-03-20 Patrick Kage , Jay C. Rothenberger , Pavlos Andreadis , Dimitrios I. Diochnos

The last decade witnessed a growing interest in Bayesian learning. Yet, the technicality of the topic and the multitude of ingredients involved therein, besides the complexity of turning theory into practical implementations, limit the use…

Machine Learning · Statistics 2023-02-01 Martin Magris , Alexandros Iosifidis

This article focuses on the question of learning how to automatically select a subset of items among a bigger set. We introduce a methodology for the inference of ensembles of discrete values, based on the Naive Bayes assumption. Our…

Machine Learning · Computer Science 2017-07-20 Luca Mossina , Emmanuel Rachelson

This paper is concerned with learning of mixture regression models for individuals that are measured repeatedly. The adjective "unsupervised" implies that the number of mixing components is unknown and has to be determined, ideally by data…

Methodology · Statistics 2018-01-09 Peirong Xu , Heng Peng , Tao Huang

Deep learning methods have recently made notable advances in the tasks of classification and representation learning. These tasks are important for brain imaging and neuroscience discovery, making the methods attractive for porting to a…

Neural and Evolutionary Computing · Computer Science 2014-02-20 Sergey M. Plis , Devon R. Hjelm , Ruslan Salakhutdinov , Vince D. Calhoun

Many key problems in machine learning and data science are routinely modeled as optimization problems and solved via optimization algorithms. With the increase of the volume of data and the size and complexity of the statistical models used…

Optimization and Control · Mathematics 2020-08-28 Filip Hanzely

We propose an unsupervised technique for implicit parameterization of data manifolds. In our approach, the data is assumed to belong to a lower dimensional manifold in a higher dimensional space, and the data points are viewed as the…

Machine Learning · Computer Science 2022-10-14 Viktor Reshniak

In view of the fact that semi- and self-supervised learning share a fundamental principle, effectively modeling knowledge from unlabeled data, various semi-supervised semantic segmentation methods have integrated representative…

Computer Vision and Pattern Recognition · Computer Science 2024-11-15 Yangyang Li , Xuanting Hao , Ronghua Shang , Licheng Jiao

Deep neural networks exhibit limited generalizability across images with different entangled domain features and categorical features. Learning generalizable features that can form universal categorical decision boundaries across domains is…

Computer Vision and Pattern Recognition · Computer Science 2021-04-07 Qingjie Meng , Jacqueline Matthew , Veronika A. Zimmer , Alberto Gomez , David F. A. Lloyd , Daniel Rueckert , Bernhard Kainz

Imaging is a standard example of an inverse problem, where the task of reconstructing a ground truth from a noisy measurement is ill-posed. Recent state-of-the-art approaches for imaging use deep learning, spearheaded by unrolled and…

A central goal of unsupervised learning is to acquire representations from unlabeled data or experience that can be used for more effective learning of downstream tasks from modest amounts of labeled data. Many prior unsupervised learning…

Machine Learning · Computer Science 2019-03-25 Kyle Hsu , Sergey Levine , Chelsea Finn

Motivation: Structural heterogeneity in single-particle cryo-electron microscopy (cryo-EM) data represents a major challenge for high-resolution structure determination. Unsupervised classification may serve as the first step in the…

Data Analysis, Statistics and Probability · Physics 2017-11-01 Jiayi Wu , Yong-Bei Ma , Charles Congdon , Bevin Brett , Shuobing Chen , Qi Ouyang , Youdong Mao

The goal of this presentation is to build an efficient non-parametric Bayes classifier in the presence of large numbers of predictors. When analyzing such data, parametric models are often too inflexible while non-parametric procedures tend…

Methodology · Statistics 2013-01-07 Abhishek Bhattacharya

Unsupervised learning methods have a soft inspiration in cognition models. To this day, the most successful unsupervised learning methods revolve around clustering samples in a mathematical space. In this paper we propose a primitive-based,…

Artificial Intelligence · Computer Science 2025-07-04 Alfredo Ibias , Hector Antona , Guillem Ramirez-Miranda , Enric Guinovart , Eduard Alarcon

Statistical methods protecting sensitive information or the identity of the data owner have become critical to ensure privacy of individuals as well as of organizations. This paper investigates anonymization methods based on representation…

Machine Learning · Statistics 2018-02-27 Clément Feutry , Pablo Piantanida , Yoshua Bengio , Pierre Duhamel

We introduce implicit Bayesian neural networks, a simple and scalable approach for uncertainty representation in deep learning. Standard Bayesian approach to deep learning requires the impractical inference of the posterior distribution…

Machine Learning · Statistics 2020-10-27 Trung Trinh , Samuel Kaski , Markus Heinonen

Semi-supervised learning is a model training method that uses both labeled and unlabeled data. This paper proposes a fully Bayes semi-supervised learning algorithm that can be applied to any multi-category classification problem. We assume…

Machine Learning · Statistics 2024-07-22 Rui Zhu , Shuvrarghya Ghosh , Subhashis Ghosal

We present a new nonlinear dimensionality reduction method, MAPLE, that enhances UMAP by improving manifold modeling. MAPLE employs a self-supervised learning approach to more efficiently encode low-dimensional manifold geometry. Central to…

Machine Learning · Computer Science 2026-05-15 Zeyang Huang , Takanori Fujiwara , Angelos Chatzimparmpas , Wandrille Duchemin , Andreas Kerren

Standard meta-learning for representation learning aims to find a common representation to be shared across multiple tasks. The effectiveness of these methods is often limited when the nuances of the tasks' distribution cannot be captured…

Machine Learning · Computer Science 2021-03-31 Giulia Denevi , Massimiliano Pontil , Carlo Ciliberto
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