Identifying optimal catalyst materials for specific reactions is crucial to advance energy storage technologies and sustainable chemical processes. To screen catalysts, scientists must understand ...

A hybrid model combining LM, GA, and BP neural networks improves TCM's diagnostic accuracy for IPF, achieving 81.22% ...

When experiments are impractical, density functional theory (DFT) calculations can give researchers accurate approximations of chemical properties. The mathematical equations that underpin the ...

Machine learning is transforming many scientific fields, including computational materials science. For about two decades, scientists have been using it to make accurate yet inexpensive calculations ...

Accuracy and speedup achieved with the Weighted Active Space Protocol (WASP) for methane activation on titanium carbide. (Figure courtesy of Seal et al.) Catalysts play an indispensable role in modern ...

Filling gaps in data sets or identifying outliers—that's the domain of the machine learning algorithm TabPFN, developed by a team led by Prof. Dr. Frank Hutter from the University of Freiburg. This ...

The XGBoost model predicts hyperglycemia risk in psoriasis patients with high accuracy, achieving an AUC of 0.821 in the training set. A web-based calculator was developed to facilitate personalized ...

An AI model using deep transfer learning—the most advanced form of machine learning—has predicted spoken language outcomes ...

Machine learning is reshaping the way portfolios are built, monitored, and adjusted. Investors are no longer limited to ...