Results 261 to 270 of about 46,859 (313)

SigmaFormer: Augmenting transformer encoders with COSMO sigma profiles for pure component property prediction

AIChE Journal, EarlyView.
Abstract Transformer‐based molecular models pretrained on SMILES strings demonstrate strong performance in property prediction. However, these model often lack explicit integration of molecular surface charge distributions that govern intermolecular interactions such as hydrogen bonding and polarity.
Tae Hyun Kim, Silabrata Pahari, Joseph Sang‐Il Kwon   +2 more
wiley   +1 more source

Dimensional cophenetic integrity: a method for evaluation of dimensionality reduction in MSI. [PDF]

Bioinform Adv
Newstead CJ, Bunch J, Bailey MJ, Dexter A.   +3 more
europepmc   +1 more source

Automated generative process synthesis via transformer‐based dual‐loop simulation and optimization

AIChE Journal, EarlyView.
Abstract This study presents a novel framework for automated generative process synthesis, addressing the complexity of simultaneously optimizing discrete topologies and continuous operating variables. To overcome conventional superstructure limitations, we propose a dual‐loop architecture integrating generative transformers with rigorous process ...
Yeong Woo Son, Chan Kim, Ji Hun Pak, Hain Lee, Jong Min Lee   +4 more
wiley   +1 more source

Semi-Quantitative Detection of Borax Adulteration in Wheat Flour Based on Microwave Non-Destructive Testing and Machine Learning. [PDF]

Foods
Kang M, Yang J, Ren Y, Bai X.
europepmc   +1 more source

Genetic algorithm for hyperparameter optimization.

Md. Shafak Shahriar Sozol (21212880), M. Rubaiyat Hossain Mondal (8415447), Achmad Husni Thamrin (21212883)   +2 more
openalex   +1 more source

Physics‐encoded transfer learning for scale‐up modeling of CHO cell bioreactors

AIChE Journal, EarlyView.
Abstract Developing reliable predictive models for mammalian cell bioreactors, particularly Chinese hamster ovary (CHO) cultures widely used in biopharmaceutical manufacturing, remains challenging due to severe data scarcity in industrial‐scale reactors.
Muyang Li, Ming Xiao, Zhe Wu
wiley   +1 more source

Analysis of hyperparameter optimization effects on lightweight deep models for real-time image classification. [PDF]

Sci Rep
Rakesh VK, Mazumdar S, Samanta T, Pandey HK, Das A, Pal S.   +5 more
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

Intelligent Corrosion Diagnosis of High-Strength Bolts Based on Multi-Modal Feature Fusion and APO-XGBoost. [PDF]

Sensors (Basel)
Zhang H, Wu Y, Sun B, Liu Y, Liu W.
europepmc   +1 more source

Hyperparameter Optimization Strategies for Tree-Based Machine Learning Models Prediction: A Comparative Study of AdaBoost, Decision Trees, and Random Forest

Mohsen Mohammadagha
openalex   +2 more sources