Results 211 to 220 of about 109,092 (251)

A multiscale Bayesian optimization framework for process and material codesign

AIChE Journal, EarlyView.
Abstract The simultaneous design of processes and enabling materials such as solvents, catalysts, and adsorbents is challenging because molecular‐ and process‐level decisions are strongly interdependent. Sequential approaches often yield suboptimal results since improvements in material properties may not translate into superior process performance. We
Michael Baldea
wiley   +1 more source

Hybrid modeling for optimizing cell cultivation in mAb production using a small‐scale automated experimental platform

AIChE Journal, EarlyView.
Abstract This work presents the optimization of cell cultivation for monoclonal antibody (mAb) production. We developed a hybrid model describing the effects of multiple process variables on antibody productivity and impurity generation. An automated platform with 12 × 250 mL bioreactors was set up.
Kosuke Nemoto, Yuki Yoshiyama, Mizuki Morisasa, Junshin Iwabuchi, Yusuke Hayashi, Sara Badr, Hirokazu Sugiyama   +6 more
wiley   +1 more source

Hyperparameter Optimization with Genetic Algorithms and XGBoost: A Step Forward in Smart Grid Fraud Detection. [PDF]

Sensors (Basel)
Mehdary A, Chehri A, Jakimi A, Saadane R.   +3 more
europepmc   +1 more source

Domain‐Aware Implicit Network for Arbitrary‐Scale Remote Sensing Image Super‐Resolution

Advanced Intelligent Discovery, EarlyView.
Although existing arbitrary‐scale image super‐resolution methods are flexible to reconstruct images with arbitrary scales, the characteristic of training distribution is neglected that there exists domain shift between samples of various scales. In this work, a Domain‐Aware Implicit Network (DAIN) is proposed to handle it from the perspective of domain
Xiaoxuan Ren, Qian Jiang, Xin Jin, Puming Wang, Xing Chu, Shaowen Yao, Shengfa Miao   +6 more
wiley   +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

Decoding Tattoo and Permanent Makeup Pigments: Linking Physicochemical Properties to Absorption, Distribution, Metabolism, and Elimination Profiles Using Quantitative Structure–Activity Relationship (QSAR)‐Based New Approach Methodologies (NAMs)

Advanced Intelligent Discovery, EarlyView.
This study applies QSAR‐based new approach methodologies to 90 synthetic tattoo and permanent makeup pigments, revealing systemic links between their physicochemical properties and absorption, distribution, metabolism, and elimination profiles. The correlation‐driven analysis using SwissADME, ChemBCPP, and principal component analysis uncovers insights
Girija Bansod, Ajay Vikram Singh, Preeti Bhardwaj, Tulika Rai, Sweta Vijay Nakhale, Amruta Shelar, Rajendra Patil, Peter Laux, Andreas Luch, Christopher J. Osgood, Michael W. Stacey   +10 more
wiley   +1 more source

What to Make and How to Make It: Combining Machine Learning and Statistical Learning to Design New Materials

Advanced Intelligent Discovery, EarlyView.
Combining machine learning and probabilistic statistical learning is a powerful way to discover and design new materials. A variety of machine learning approaches can be used to identify promising candidates for target applications, and causal inference can help identify potential ways to make them a reality.
Jonathan Y. C. Ting, Amanda S. Barnard
wiley   +1 more source

Deep Learning Prediction of Surface Roughness in Multi‐Stage Microneedle Fabrication: A Long Short‐Term Memory‐Recurrent Neural Network Approach

Advanced Intelligent Discovery, EarlyView.
A sequential deep learning framework is developed to model surface roughness progression in multi‐stage microneedle fabrication. Using real‐world experimental data from 3D printing, molding, and casting stages, an long short‐term memory‐based recurrent neural network captures the cumulative influence of geometric parameters and intermediate outputs ...
Abdollah Ahmadpour, Sara Soltanabadi Farshi, Tuanna Ozcan, Amir Mohammad Ketabchi, Alper Kiraz, Savas Tasoglu   +5 more
wiley   +1 more source

A Machine Learning Perspective on the Brønsted–Evans–Polanyi Relation in Water‐Gas Shift Catalysis on MXenes

Advanced Intelligent Discovery, EarlyView.
Machine learning predicts activation energies for key steps in the water‐gas shift reaction on 92 MXenes. Random Forest is identified as the most accurate model. Reaction energy and reactant LogP emerge as key descriptors. The approach provides a predictive framework for catalyst design, grounded in density functional theory data and validated through ...
Kais Iben Nassar, Tiago L. P. Galvão, José D. Gouveia, José R. B. Gomes   +3 more
wiley   +1 more source

Bayesian Optimization Guiding the Experimental Mapping of the Pareto Front of Mechanical and Flame‐Retardant Properties in Polyamide Nanocomposites

Advanced Intelligent Discovery, EarlyView.
Bayesian optimization enabled the design of PA56 system with just 8 wt% additives, achieving limiting oxygen index 30.5%, tensile strength 80.9 MPa, and UL‐94 V‐0 rating. Without prior knowledge, the algorithm uncovered synergistic effects between aluminum diethyl‐phosphinate and nanoclay.
Burcu Ozdemir, Miguel Hernández‐del‐Valle, Christina Schenk, De‐Yi Wang, Maciej Haranczyk   +4 more
wiley   +1 more source