Concept

Simple linear regression

Related publications (96)

Local Kernel Regression and Neural Network Approaches to the Conformational Landscapes of Oligopeptides

Michele Ceriotti, Alberto Fabrizio, Benjamin André René Meyer, Edgar Albert Engel, Raimon Fabregat I De Aguilar-Amat, Veronika Juraskova

The application of machine learning to theoretical chemistry has made it possible to combine the accuracy of quantum chemical energetics with the thorough sampling of finite-temperature fluctuations. To reach this goal, a diverse set of methods has been pr ...

2022

Can runoff event types explain some scatter in nitrate C-Q relationships?

Jana Freiin von Freyberg

Nitrate contamination of rivers from agricultural sources, is a challenging problem for water quality management. The relationship between solute concentrations and streamflow rates (C-Q) observed at catchment outlets provide useful information on hydrolog ...

2022

Distribution-on-distribution regression via optimal transport maps

Victor Panaretos, Laya Ghodrati

We present a framework for performing regression when both covariate and response are probability distributions on a compact interval. Our regression model is based on the theory of optimal transportation, and links the conditional Frechet mean of the resp ...

OXFORD UNIV PRESS2022

Smart Armband with Graphene Textile Electrodes for EMG-based Muscle Fatigue Monitoring

Ata Jedari Golparvar

We report the successful acquisition of surface electromyography (sEMG) signals from an intelligent armband and its application in localized muscle fatigue monitoring with a costume-designed, small-scale front-end readout circuitry. The correlation coeffic ...

IEEE2021

Multi-ion-sensing emulator and multivariate calibration optimization by machine learning models

Giovanni De Micheli, Sandro Carrara, Mandresy Ivan Ny Hanitra, Francesca Criscuolo

One paramount challenge in multi-ion-sensing arises from ion interference that degrades the accuracy of sensor calibration. Machine learning models are here proposed to optimize such multivariate calibration. However, the acquisition of big experimental da ...

2021

Estimation of separable direct and indirect effects in continuous time

Mats Julius Stensrud

Many research questions involve time-to-event outcomes that can be prevented from occurring due to competing events. In these settings, we must be careful about the causal interpretation of classical statistical estimands. In particular, estimands on the h ...

WILEY2021

Improving sample and feature selection with principal covariates regression

Michele Ceriotti, Edgar Albert Engel, Benjamin Aaron Helfrecht, Sergei Kliavinek

Selecting the most relevant features and samples out of a large set of candidates is a task that occurs very often in the context of automated data analysis, where it improves the computational performance and often the transferability of a model. Here we ...

IOP PUBLISHING LTD2021

Biophysical applications of correlative scanning probe and super-resolution microscopy

Vytautas Navikas

Imaging live cells in their native environment is crucial for the understanding of complex biological phenomena. Modern optical microscopy methods such as fluorescence super-resolution microscopy are increasingly combined with complementary, label-free tec ...

EPFL2021

Learning (from) the Electron Density: Transferability, Conformational and Chemical Diversity

Ksenia Briling, Alberto Fabrizio, Andrea Grisafi

Machine-learning in quantum chemistry is currently booming, with reported applications spanning all molecular properties from simple atomization energies to complex mathematical objects such as the many-body wavefunction. Due to its central role in density ...

2020

Structure-property maps with Kernel principal covariates regression

Michele Ceriotti, Guillaume André Jean Fraux, Benjamin Aaron Helfrecht

Data analyses based on linear methods constitute the simplest, most robust, and transparent approaches to the automatic processing of large amounts of data for building supervised or unsupervised machine learning models. Principal covariates regression (PC ...

2020

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