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Machine-learning of atomic-scale properties amounts to extracting correlations between structure, composition and the quantity that one wants to predict. Representing the input structure in a way that best reflects such correlations makes…

Chemical Physics · Physics 2021-02-02 Michael J. Willatt , Félix Musil , Michele Ceriotti

Principal Component Analysis (PCA) is a ubiquitous tool with many applications in machine learning including feature construction, subspace embedding, and outlier detection. In this paper, we present an algorithm for computing the top…

Machine Learning · Computer Science 2013-10-25 Nikos Karampatziakis , Paul Mineiro

Motivated by the Bagging Partial Least Squares (PLS) and Principal Component Analysis (PCA) algorithms, we propose a Principal Model Analysis (PMA) method in this paper. In the proposed PMA algorithm, the PCA and the PLS are combined. In…

Machine Learning · Computer Science 2019-02-08 Qiwei Xie , Liang Tang , Weifu Li , Vijay John , Yong Hu

In the literature, there are a few researches to design some parameters in the Proximal Point Algorithm (PPA), especially for the multi-objective convex optimizations. Introducing some parameters to PPA can make it more flexible and…

Optimization and Control · Mathematics 2018-12-11 Jianchao Bai , Jicheng Li , Pingfan Dai , Jiaofen Li

Exact Gaussian Process (GP) regression has O(N^3) runtime for data size N, making it intractable for large N. Many algorithms for improving GP scaling approximate the covariance with lower rank matrices. Other work has exploited structure…

Machine Learning · Statistics 2012-09-24 Elad Gilboa , Yunus Saatçi , John P. Cunningham

We propose generalized additive partial linear models for complex data which allow one to capture nonlinear patterns of some covariates, in the presence of linear components. The proposed method improves estimation efficiency and increases…

Statistics Theory · Mathematics 2014-05-26 Li Wang , Lan Xue , Annie Qu , Hua Liang

We consider minimization of functions that are compositions of convex or prox-regular functions (possibly extended-valued) with smooth vector functions. A wide variety of important optimization problems fall into this framework. We describe…

Optimization and Control · Mathematics 2015-04-24 A. S. Lewis , S. J. Wright

Deep learning architectures based on convolutional neural networks tend to rely on continuous, smooth features. While this characteristics provides significant robustness and proves useful in many real-world tasks, it is strikingly…

Computer Vision and Pattern Recognition · Computer Science 2026-03-10 Zuzanna Buchnajzer , Kacper Dobek , Stanisław Hapke , Daniel Jankowski , Krzysztof Krawiec

In a regression setting we propose algorithms that reduce the dimensionality of the features while simultaneously maximizing a statistical measure of dependence known as distance correlation between the low-dimensional features and a…

Machine Learning · Computer Science 2017-02-20 Praneeth Vepakomma , Ahmed Elgammal

We extend the scope of differential machine learning and introduce a new breed of supervised principal component analysis to reduce dimensionality of Derivatives problems. Applications include the specification and calibration of pricing…

Computational Finance · Quantitative Finance 2025-03-19 Brian Huge , Antoine Savine

How do statistical dependencies in measurement noise influence high-dimensional inference? To answer this, we study the paradigmatic spiked matrix model of principal components analysis (PCA), where a rank-one matrix is corrupted by…

Information Theory · Computer Science 2023-06-05 Jean Barbier , Francesco Camilli , Marco Mondelli , Manuel Saenz

Generalized additive models (GAMs) provide a way to blend parametric and non-parametric (function approximation) techniques together, making them flexible tools suitable for many modeling problems. For instance, GAMs can be used to…

Methodology · Statistics 2023-03-07 Antti Solonen , Stratos Staboulis

Probabilistic models help us encode latent structures that both model the data and are ideally also useful for specific downstream tasks. Among these, mixture models and their time-series counterparts, hidden Markov models, identify…

Machine Learning · Computer Science 2021-10-29 Abhishek Sharma , Catherine Zeng , Sanjana Narayanan , Sonali Parbhoo , Finale Doshi-Velez

A succesful method to describe the asymptotic behavior of a discrete time stochastic process governed by some recursive formula is to relate it to the limit sets of a well chosen mean differential equation. Under an attainability condition,…

Probability · Mathematics 2011-01-19 Mathieu Faure , Gregory Roth

High-dimensional measurements are often correlated which motivates their approximation by factor models. This holds also true when features are engineered via low-dimensional interactions or kernel tricks. This often results in over…

Applications · Statistics 2025-09-03 Xiaonan Zhu , Bingyan Wang , Jianqing Fan

This work presents proximally optimal predictive control algorithm, which is essentially a model-based lateral controller for steered autonomous vehicles that selects an optimal steering command within the neighborhood of previous steering…

Robotics · Computer Science 2023-05-16 Chinmay Vilas Samak , Tanmay Vilas Samak , Sivanathan Kandhasamy

When analyzing parametric statistical models, a useful approach consists in modeling geometrically the parameter space. However, even for very simple and commonly used hierarchical models like statistical mixtures or stochastic deep neural…

Machine Learning · Computer Science 2021-12-08 Pascal Mattia Esser , Frank Nielsen

We present a federated, asynchronous, and $(\varepsilon, \delta)$-differentially private algorithm for PCA in the memory-limited setting. Our algorithm incrementally computes local model updates using a streaming procedure and adaptively…

Machine Learning · Computer Science 2020-10-26 Andreas Grammenos , Rodrigo Mendoza-Smith , Jon Crowcroft , Cecilia Mascolo

The independent component model is a latent variable model where the components of the observed random vector are linear combinations of latent independent variables. The aim is to find an estimate for a transformation matrix back to…

Statistics Theory · Mathematics 2015-05-12 Joni Virta , Klaus Nordhausen , Hannu Oja

An algorithm is proposed, analyzed, and tested for solving continuous nonlinear-equality-constrained optimization problems where the objective and constraint functions are defined by expectations or averages over large, finite numbers of…

Optimization and Control · Mathematics 2026-05-14 Frank E. Curtis , Lingjun Guo , Daniel P. Robinson
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