Results 171 to 180 of about 705,175 (281)

Trust‐region filter algorithms utilizing Hessian information for gray‐box optimization

AIChE Journal, EarlyView.
Abstract Optimizing industrial processes often involves gray‐box models that couple algebraic glass‐box equations with black‐box components lacking analytic derivatives. Such systems challenge derivative‐based solvers. The classical trust‐region filter (TRF) algorithm provides a robust framework but requires extensive parameter tuning and numerous ...
Gul Hameed, Tao Chen, Antonio del Rio Chanona, Lorenz T. Biegler, Michael Short   +4 more
wiley   +1 more source

Closed-form spin-relativistic corrections from the Dirac equation enabling a modified Schrödinger solver. [PDF]

Sci Rep
Amaro MB, Nazeef, Dussech CJ, Qi C.
europepmc   +1 more source

A trust‐region funnel algorithm for gray‐box optimization

AIChE Journal, EarlyView.
Abstract Gray‐box optimization, where parts of optimization problems are represented by algebraic models while others are treated as black‐box models lacking analytic derivatives, remains a challenge. Trust‐region (TR) methods provide a robust framework for gray‐box problems through local reduced models (RMs) for black‐box components, but they are ...
Gul Hameed, Tao Chen, Antonio del Rio Chanona, Lorenz T. Biegler, Michael Short   +4 more
wiley   +1 more source

High-[Formula: see text] superconductivity with quadratic electron-phonon coupling. [PDF]

Sci Rep
Azizi F.
europepmc   +1 more source

Exploring Quantum Support Vector Regression for Predicting Hydrogen Storage Capacity of Nanoporous Materials

Advanced Intelligent Discovery, EarlyView.
In this study we employed support vector regressor and quantum support vector regressor to predict the hydrogen storage capacity of metal–organic frameworks using structural and physicochemical descriptors. This study presents a comparative analysis of classical support vector regression (SVR) and quantum support vector regression (QSVR) in predicting ...
Chandra Chowdhury
wiley   +1 more source

Surrogate Models for CO₂ Utilization Pathways: Accelerating Industrial Park Design and Enterprise-Wide Optimization. [PDF]

ACS Omega
Faadil M, Alhajeri MS, Almansoori A, Elkamel A.   +3 more
europepmc   +1 more source

Accelerating Surface Composition Characterization of Thin‐Film Materials Libraries Using Multi‐Output Gaussian Process Regression

Advanced Intelligent Discovery, EarlyView.
To integrate surface analysis into materials discovery workflows, Gaussian process regression is used to accurately predict surface compositions from rapidly acquired volume composition data (obtained by energy‐dispersive X‐ray spectroscopy), drastically reducing the number of required surface measurements on thin‐film materials libraries.
Felix Thelen, Florian Lourens, Alfred Ludwig   +2 more
wiley   +1 more source

Study on the climate impacts on the reservoir waterlevel. [PDF]

Sci Rep
Cui X, Liu L.
europepmc   +1 more source

Deep Learning‐Assisted Coherent Raman Scattering Microscopy

Advanced Intelligent Discovery, EarlyView.
The analytical capabilities of coherent Raman scattering microscopy are augmented through deep learning integration. This synergistic paradigm improves fundamental performance via denoising, deconvolution, and hyperspectral unmixing. Concurrently, it enhances downstream image analysis including subcellular localization, virtual staining, and clinical ...
Jianlin Liu, Rujia Liu, Xinyan Zhang, Xun Chen, Shuhua Yue   +4 more
wiley   +1 more source

Advanced Experiment Design Strategies for Drug Development

Advanced Intelligent Discovery, EarlyView.
Wang et al. analyze 592 drug development studies published between 2020 and 2024 that applied design of experiments methodologies. The review surveys both classical and emerging approaches—including Bayesian optimization and active learning—and identifies a critical gap between advanced experimental strategies and their practical adoption in ...
Fanjin Wang, Anthony Harker, Mohan Edirisinghe, Maryam Parhizkar   +3 more
wiley   +1 more source