Results 231 to 240 of about 793,163 (329)
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
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
Impact of Extrusion Parameters on the Formation of Nε-(Carboxymethyl)lysine, Nε-(Carboxyethyl)lysine and Acrylamide in Plant-Based Meat Analogues. [PDF]
Int J Mol SciMa Y, Fu S, Cheng KW, Liu B.
europepmc +1 more source
Advanced Intelligent Discovery, EarlyView.Feature selection combined with machine learning and high‐throughput experimentation enables efficient handling of high‐dimensional datasets in emerging photovoltaics. This approach accelerates material discovery, improves process optimization, and strengthens stability prediction, while overcoming challenges in data quality and model scalability to ...
Jiyun Zhang +5 more
wiley +1 more source
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
Advanced Intelligent Discovery, EarlyView.Exosomes are emerging as powerful biomarkers for disease diagnosis and monitoring. This review highlights the integration of surface‐enhanced Raman spectroscopy with artificial intelligence to enhance molecular fingerprinting of exosomes. Machine learning and deep learning techniques improve spectral interpretation, enabling accurate classification of ...
Munevver Akdeniz +2 more
wiley +1 more source
Advancements in texturization processes for the development of plant-based meat analogues: a review
Current Opinion in Food ScienceDavide De Angelis +3 more
semanticscholar +1 more source
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 +3 more
wiley +1 more source
Advanced Intelligent Discovery, EarlyView.A novel convolutional neural network architecture enables rapid, unsupervised analysis of IR spectroscopic data from DRIFTS and IRRAS. By combining synthetic data generation with parallel convolutional layers and advanced regularization, the model accurately resolves spectral features of adsorbed CO, offering real‐time insights into ceria surface ...
Mehrdad Jalali +5 more
wiley +1 more source