Results 171 to 180 of about 332,730 (283)

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

Chemistry – A European Journal, EarlyView.
Raw uncertainty estimates from deep evidential regression and deep ensembles are systematically miscalibrated. Post hoc calibration aligns predicted uncertainty with true errors, improving reliability and enabling efficient active learning and reducing computational cost while preserving predictive accuracy.
Bidhan Chandra Garain, Max Pinheiro Jr., Matheus de Oliveira Bispo, Mario Barbatti   +3 more
wiley   +1 more source

A Short‐Cut Design Approach to Evaluate Reboiler Designs in Vapor Recompression Scenarios

Chemie Ingenieur Technik, EarlyView.
A short‐cut model framework that incorporates mechanical vapor recompression (MVR) requirements into reboiler design is presented, which is particularly beneficial during early process development with limited data or initial feasibility assessments.
Franziska Lais, Stephan Scholl, Katharina Jasch   +2 more
wiley   +1 more source

Optimization of 3D‐Printed Structured Packings—Current State and Future Developments

Chemie Ingenieur Technik, EarlyView.
This paper gives an overview about structured packing development for distillation, surveying heuristic development cycles, computational fluid dynamics simulations, and additive manufacturing techniques. The emerging application of shape optimization to improve packings is emphasized, and its benefits, impact, and limitations are discussed.
Dennis Stucke, Sebastian Blauth, Christian Leithäuser, Thomas Grützner   +3 more
wiley   +1 more source

Data‐driven simulation of crude distillation using Aspen HYSYS and comparative machine learning models

The Canadian Journal of Chemical Engineering, EarlyView.
Integrated Aspen HYSYS–machine learning framework for predicting product yields and quality variables. Abstract Crude oil refining is a complex process requiring precise modelling to optimize yield, quality, and efficiency. This study integrates Aspen HYSYS® simulations with machine learning techniques to develop predictive models for key refinery ...
Aldimiro Paixão Domingos, Heleno Bispo, Thiago Vaz da Costa, Sérgio Mauro da Silva Neiro   +3 more
wiley   +1 more source

Performance comparison of pressure swing adsorption and amine‐based absorption for synthesis gas purification

The Canadian Journal of Chemical Engineering, EarlyView.
Comparison of PSA and amine‐based absorption for syngas purification shows that PSA offers lower energy intensity, global warming potential, and minimum selling price, making it a more sustainable option. However, absorption achieves higher syngas purity. A GREENSCOPE‐based multi‐criteria assessment guides optimal process selection.
Magno Fonseca Santos, Antonio Esio Bresciani, Rita Maria Brito Alves   +2 more
wiley   +1 more source

On subset least squares estimation and prediction in vector autoregressive models with exogenous variables

Canadian Journal of Statistics, EarlyView.
Abstract We establish the consistency and the asymptotic distribution of the least squares estimators of the coefficients of a subset vector autoregressive process with exogenous variables (VARX). Using a martingale central limit theorem, we derive the asymptotic normal distribution of the estimators. Diagnostic checking is discussed using kernel‐based
Pierre Duchesne, Thanh‐Liem Huynh, Mylène Oscar   +2 more
wiley   +1 more source

Asymptotic properties of cross‐classified sampling designs

Canadian Journal of Statistics, EarlyView.
Abstract We investigate the family of cross‐classified sampling designs across an arbitrary number of dimensions. We introduce a variance decomposition that enables the derivation of general asymptotic properties for these designs and the development of straightforward and asymptotically unbiased variance estimators.
Jean Rubin, Guillaume Chauvet
wiley   +1 more source

Playing with fire? A mean‐field game analysis of fire sales and systemic risk under regulatory capital constraints

Canadian Journal of Statistics, EarlyView.
Abstract We analyze the effect of regulatory capital constraints on financial stability in a large homogeneous banking system using a mean‐field game (MFG) model. Each bank holds cash and a tradable risky asset. Banks choose absolutely continuous trading rates in order to maximize expected terminal equity, with trades subject to transaction costs ...
Rüdiger Frey, Theresa Traxler
wiley   +1 more source

PEK14: A Kinesin‐4 Necessary for Male‐Derived Fertility in Arabidopsis thaliana

Cytoskeleton, EarlyView.
ABSTRACT Of the 61 kinesins annotated in Arabidopsis thaliana, many are still without assigned function. Here, we have screened an insertional mutant library of Arabidopsis pollen‐expressed kinesins for fertility defects. Insertional mutants for three kinesins showed a significant reduction in seed set.
Isabella N. Mendes, Norman R. Groves, Jessica Z. Li, Lily N. Thompson, Brian J. Smith, Aman Y. Husbands, Iris Meier   +6 more
wiley   +1 more source

Self‐Similar Blowup for the Cubic Schrödinger Equation

Communications on Pure and Applied Mathematics, EarlyView.
ABSTRACT We give a rigorous proof for the existence of a finite‐energy, self‐similar solution to the focusing cubic Schrödinger equation in three spatial dimensions. The proof is computer‐assisted and relies on a fixed point argument that shows the existence of a solution in the vicinity of a numerically constructed approximation.
Roland Donninger, Birgit Schörkhuber
wiley   +1 more source