Results 231 to 240 of about 284,254 (315)

Uncertainty Calibration in Molecular Machine Learning: Comparing Evidential and Ensemble Approaches

Chemistry – A European Journal, EarlyView.
ABSTRACT Machine learning (ML) models are increasingly used in quantum chemistry, but their reliability hinges on uncertainty quantification (UQ). In this study, we compare two prominent UQ paradigms—deep evidential regression (DER) and deep ensembles—on the QM9 and WS22 datasets, with a specific emphasis on the role of post hoc calibration.
Bidhan Chandra Garain, Max Pinheiro Jr., Matheus de Oliveira Bispo, Mario Barbatti   +3 more
wiley   +1 more source

Benchmark Dose Analysis via Nonparametric Regression Modeling. [PDF]

Risk Anal, 2014
Piegorsch WW, Xiong H, Bhattacharya RN, Lin L.   +3 more
europepmc   +1 more source

Nonparametric Regression Under Long-Range Dependent Normal Errors [PDF]

, 1995
Sándor Csörgő, Jan Mielniczuk
openalex   +1 more source

Rank‐based estimation of propensity score weights via subclassification

Canadian Journal of Statistics, EarlyView.
Abstract Propensity score (PS) weighting estimators are widely used for causal effect estimation and enjoy desirable theoretical properties, such as consistency and potential efficiency under correct model specification. However, their performance can degrade in practice due to sensitivity to PS model misspecification.
Linbo Wang, Yuexia Zhang, Thomas S. Richardson, Xiaohua Zhou   +3 more
wiley   +1 more source

Adaptive Confidence Bands for Nonparametric Regression Functions. [PDF]

J Am Stat Assoc, 2014
Cai TT, Low M, Ma Z.
europepmc   +1 more source

Simultaneous confidence bands for nonparametric, polynomial-trigonometric regression estimators [PDF]

, 2009
Jonathan W. Duggins
openalex  

Predicting cervical cancer DNA methylation from genetic data using multivariate CMMP

Canadian Journal of Statistics, EarlyView.
Abstract Epigenetic modifications link the environment to gene expression and play a crucial role in tumour development. DNA methylation, in particular, is gaining attention in cancer research, including cervical cancer, the focus of this study.
Hang Zhang, Steven Chen, Raymond Balise, Jiming Jiang, Nagi Ayad, J. Sunil Rao   +5 more
wiley   +1 more source

A note on a nonparametric regression test through penalized splines. [PDF]

Stat Sin, 2014
Chen H, Wang Y, Li R, Shear K.
europepmc   +1 more source

Data sharpening methods for bias reduction in nonparametric regression [PDF]

, 2000
Edwin Choi, Peter Hall, Valentin Rousson
openalex   +1 more source

Monodentate Phosphine Modulation in Cyclometallated Platinum(II) Complexes for Antileishmanial, Antiviral, and Antitumor Applications

ChemMedChem, EarlyView.
Schematic representation depicting the influence of phosphine ligand identity on the biological and physicochemical characteristics of Pt(II) complexes: PTA promotes antileishmanial activity, PPh2(Php–COOH) strengthens antiviral activity, and TCEP enhances fluorescence.
Antonio A. de Oliveira‐Neto, Gustavo Clauss, Jennyfer Castro, Marcus S. A. Garcia, Natasha M. Cassani, Bruna C. Sandim, Ana Laura C. Oliveira, Stephanie P. B. Reyes, Nádija N. P. da Silva, Fillipe V. Rocha, Ana C. G. Jardim, Danilo C. Miguel, Camilla Abbehausen   +12 more
wiley   +1 more source