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The optimal learner for prediction modeling varies depending on the underlying data-generating distribution. Super Learner (SL) is a generic ensemble learning algorithm that uses cross-validation to select among a "library" of candidate…

A major bottleneck in developing sustainable processes and materials is a lack of property data. Recently, machine learning approaches have vastly improved previous methods for predicting molecular properties. However, these machine…

Chemical Physics · Physics 2023-09-25 Benedikt Winter , Philipp Rehner , Timm Esper , Johannes Schilling , André Bardow

The currently operating space missions, as well as those that will be launched in the near future, (will) deliver high-quality data for millions of stellar objects. Since the majority of stellar astrophysical applications still (at least…

Solar and Stellar Astrophysics · Physics 2015-09-23 Andrew Tkachenko

Supervised machine learning approaches require the formulation of a loss functional to be minimized in the training phase. Sequential data are ubiquitous across many fields of research, and are often treated with Euclidean distance-based…

Machine Learning · Computer Science 2022-09-30 Mathies Wedler , Merten Stender , Marco Klein , Svenja Ehlers , Norbert Hoffmann

In areas such as kernel smoothing and non-parametric regression there is emphasis on smooth interpolation and smooth statistical models. Splines are known to have optimal smoothness properties in one and higher dimensions. It is shown, with…

Computation · Statistics 2008-09-29 Ron A. Bates , Hugo Maruri-Aguilar , Henry P. Wynn

We investigate structured sparsity methods for variable selection in regression problems where the target depends nonlinearly on the inputs. We focus on general nonlinear functions not limiting a priori the function space to additive…

Machine Learning · Statistics 2018-05-17 Magda Gregorová , Alexandros Kalousis , Stéphane Marchand-Maillet

We propose new summary measures of diagnostic test accuracy which can be used as companions to existing diagnostic accuracy measures. Conceptually, our summary measures are tantamount to the so-called Hellinger affinity and we show that…

Methodology · Statistics 2017-12-29 Miguel de Carvalho , Bradley J. Barney , Garritt L. Page

Shuffled linear regression (SLR) seeks to estimate latent features through a linear transformation, complicated by unknown permutations in the measurement dimensions. This problem extends traditional least-squares (LS) and Least Absolute…

Statistics Theory · Mathematics 2025-04-17 Hang Liu , Anna Scaglione

Smoothing of noisy sample covariances is an important component in functional data analysis. We propose a novel covariance smoothing method based on penalized splines and associated software. The proposed method is a bivariate spline…

Methodology · Statistics 2017-04-07 Luo Xiao , Cai Li , William Checkley , Ciprian M. Crainiceanu

We consider a linearly elastic composite medium, which consists of a homogeneous matrix containing a statistically homogeneous set of multimodal spherical inclusions modeling the morphology of heterogeneous solid propellants (HSP).…

Materials Science · Physics 2012-09-21 V. A. Buryachenko

This paper proposes a new method for estimating sparse precision matrices in the high dimensional setting. It has been popular to study fast computation and adaptive procedures for this problem. We propose a novel approach, called Sparse…

Methodology · Statistics 2016-12-23 Weidong Liu , Xi Luo

There are several numerical models that describe real phenomena being used to solve complex problems. For example, an accurate numerical breast model can provide assistance to surgeons with visual information of the breast as a result of a…

Medical Physics · Physics 2020-03-17 Diogo Lopes , António Ramires Fernandes , Stéphane Clain

We present a machine learning pipeline for biomarker discovery in Multiple Sclerosis (MS), integrating eight publicly available microarray datasets from Peripheral Blood Mononuclear Cells (PBMC). After robust preprocessing we trained an…

Machine Learning · Computer Science 2025-09-29 Samuele Punzo , Silvia Giulia Galfrè , Francesco Massafra , Alessandro Maglione , Corrado Priami , Alina Sîrbu

Linear mixed models (LMMs) are used extensively to model dependecies of observations in linear regression and are used extensively in many application areas. Parameter estimation for LMMs can be computationally prohibitive on big data.…

Machine Learning · Statistics 2019-03-08 Zilong Tan , Kimberly Roche , Xiang Zhou , Sayan Mukherjee

Converting an n-dimensional vector to a probability distribution over n objects is a commonly used component in many machine learning tasks like multiclass classification, multilabel classification, attention mechanisms etc. For this,…

With massive high-dimensional data now commonplace in research and industry, there is a strong and growing demand for more scalable computational techniques for data analysis and knowledge discovery. Key to turning these data into knowledge…

Data Structures and Algorithms · Computer Science 2016-06-17 Yasuo Tabei , Hiroto Saigo , Yoshihiro Yamanishi , Simon J. Puglisi

Isogeometric analysis is a powerful paradigm which exploits the high smoothness of splines for the numerical solution of high order partial differential equations. However, the tensor-product structure of standard multivariate B-spline…

Numerical Analysis · Mathematics 2023-02-01 Cesare Bracco , Carlotta Giannelli , Mario Kapl , Rafael Vázquez

Computational studies that use block-structured adaptive mesh refinement (AMR) approaches suffer from unnecessarily high mesh resolution in regions adjacent to important solution features. This deficiency limits the performance of AMR…

Computational Physics · Physics 2022-03-02 Brandon Gusto , Tomasz Plewa

In this paper, we propose a solution for a fundamental problem in computational harmonic analysis, namely, the construction of a multiresolution analysis with directional components. We will do so by constructing subdivision schemes which…

Numerical Analysis · Mathematics 2007-10-16 Gitta Kutyniok , Tomas Sauer

We present a kernel-independent method that applies hierarchical matrices to the problem of maximum likelihood estimation for Gaussian processes. The proposed approximation provides natural and scalable stochastic estimators for its…

Computation · Statistics 2019-03-26 Christopher J. Geoga , Mihai Anitescu , Michael L. Stein