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Machine learning (ML) is rapidly transforming the way molecular dynamics simulations are performed and analyzed, from materials modeling to studies of protein folding and function. ML algorithms are often employed to learn low-dimensional…

Soft Condensed Matter · Physics 2025-09-23 Jayashrita Debnath , Gerhard Hummer

Random features are a powerful technique for rewriting positive-definite kernels as linear products. They bring linear tools to bear in important nonlinear domains like KNNs and attention. Unfortunately, practical implementations require…

Machine Learning · Computer Science 2024-10-25 Luke Sernau , Silvano Bonacina , Rif A. Saurous

Feature selection (FS) is a process which attempts to select more informative features. In some cases, too many redundant or irrelevant features may overpower main features for classification. Feature selection can remedy this problem and…

Machine Learning · Computer Science 2013-06-07 A. Nisthana Parveen , H. Hannah Inbarani , E. N. Sathishkumar

Feature learning in neural networks is crucial for their expressive power and inductive biases, motivating various theoretical approaches. Some approaches describe network behavior after training through a change in kernel scale from…

Disordered Systems and Neural Networks · Physics 2025-05-29 Noa Rubin , Kirsten Fischer , Javed Lindner , David Dahmen , Inbar Seroussi , Zohar Ringel , Michael Krämer , Moritz Helias

Approximating non-linear kernels using feature maps has gained a lot of interest in recent years due to applications in reducing training and testing times of SVM classifiers and other kernel based learning algorithms. We extend this line…

Machine Learning · Computer Science 2015-03-20 Purushottam Kar , Harish Karnick

Interpretable models can have advantages over black-box models, and interpretability is essential for the application of machine learning in critical settings, such as aviation or medicine. This article introduces the LASSO-Clip-EN (LCEN)…

Machine Learning · Computer Science 2025-12-02 Pedro Seber , Richard D. Braatz

The big data trend has inspired feature-driven learning tasks, which cannot be handled by conventional machine learning models. Unstructured data produces very large binary matrices with millions of columns when converted to vector form.…

Machine Learning · Computer Science 2019-12-19 Anton Akusok , Emil Eirola

Feature selection has drawn much attention over the last decades in machine learning because it can reduce data dimensionality while maintaining the original physical meaning of features, which enables better interpretability than feature…

Machine Learning · Computer Science 2022-09-27 Yiwen Liao , Jochen Rivoir , Raphaël Latty , Bin Yang

In this paper, we present a kernel subspace clustering method that can handle non-linear models. In contrast to recent kernel subspace clustering methods which use predefined kernels, we propose to learn a low-rank kernel matrix, with which…

Computer Vision and Pattern Recognition · Computer Science 2019-01-28 Pan Ji , Ian Reid , Ravi Garg , Hongdong Li , Mathieu Salzmann

Most accurate predictions are typically obtained by learning machines with complex feature spaces (as e.g. induced by kernels). Unfortunately, such decision rules are hardly accessible to humans and cannot easily be used to gain insights…

Machine Learning · Statistics 2010-08-13 Alexander Zien , Nicole Kraemer , Soeren Sonnenburg , Gunnar Raetsch

Kernel approximation using randomized feature maps has recently gained a lot of interest. In this work, we identify that previous approaches for polynomial kernel approximation create maps that are rank deficient, and therefore do not…

Machine Learning · Statistics 2013-12-18 Raffay Hamid , Ying Xiao , Alex Gittens , Dennis DeCoste

Random Fourier features (RFFs) provide a promising way for kernel learning in a spectral case. Current RFFs-based kernel learning methods usually work in a two-stage way. In the first-stage process, learning the optimal feature map is often…

Machine Learning · Computer Science 2024-01-17 Kun Fang , Fanghui Liu , Xiaolin Huang , Jie Yang

Dealing with datasets of very high dimension is a major challenge in machine learning. In this paper, we consider the problem of feature selection in applications where the memory is not large enough to contain all features. In this…

Machine Learning · Statistics 2017-09-07 Antonio Sutera , Célia Châtel , Gilles Louppe , Louis Wehenkel , Pierre Geurts

Feature Learning aims to extract relevant information contained in data sets in an automated fashion. It is driving force behind the current deep learning trend, a set of methods that have had widespread empirical success. What is lacking…

Machine Learning · Statistics 2015-04-02 Brendan van Rooyen , Robert C. Williamson

A primary advantage of neural networks lies in their feature learning characteristics, which is challenging to theoretically analyze due to the complexity of their training dynamics. We propose a new paradigm for studying feature learning…

Machine Learning · Computer Science 2024-12-30 Haobo Zhang , Jianfa Lai , Yicheng Li , Qian Lin , Jun S. Liu

Kernel density estimation is a key component of a wide variety of algorithms in machine learning, Bayesian inference, stochastic dynamics and signal processing. However, the unsupervised density estimation technique requires tuning a…

Machine Learning · Computer Science 2025-12-17 Sunia Tanweer , Firas A. Khasawneh

Selecting diverse and important items, called landmarks, from a large set is a problem of interest in machine learning. As a specific example, in order to deal with large training sets, kernel methods often rely on low rank matrix Nystr\"om…

Machine Learning · Computer Science 2021-12-10 Michaël Fanuel , Joachim Schreurs , Johan A. K. Suykens

Datasets with hundreds to tens of thousands features is the new norm. Feature selection constitutes a central problem in machine learning, where the aim is to derive a representative set of features from which to construct a classification…

Machine Learning · Computer Science 2016-03-17 Kleanthis Malialis , Jun Wang , Gary Brooks , George Frangou

Recently, feature selection has become an increasingly important area of research due to the surge in high-dimensional datasets in all areas of modern life. A plethora of feature selection algorithms have been proposed, but it is difficult…

Neural and Evolutionary Computing · Computer Science 2019-10-24 Andrew Lensen , Bing Xue , Mengjie Zhang

Factor modeling is a powerful statistical technique that permits to capture the common dynamics in a large panel of data with a few latent variables, or factors, thus alleviating the curse of dimensionality. Despite its popularity and…

Econometrics · Economics 2021-03-03 Varlam Kutateladze