New AI model for drug design brings more physics to bear in predictions

When machine learning is used to suggest new potential scientific insights or directions, algorithms sometimes offer ...

Could AI framework be the key to how collective cell intelligence works?

It has long been understood that groups of cells can perform complex tasks, such as navigating mazes or strategically ...
IEEE

Sticky Information Technology Investment: Theory and Empirical Evidence

Abstract: This article provides a new way of thinking about managerial discretion in information technology (IT) investment decisions. We delve into the existence, antecedents, and consequences of ...
IEEE

Multiview Representation Learning via Information-Theoretic Optimization

Abstract: Multiview data, characterized by rich features, are crucial in many machine learning applications. However, effectively extracting intraview features and integrating interview information ...
C&EN

Machine learning helps density functional theory model molecules accurately

Nearly a third of US supercomputer time is spent on molecular modeling, a way to test-drive new drugs and materials on the computer before making them in the lab. The most accurate approach is the ...
C&EN

Graph-Based Machine Learning Framework for Predicting Hydrogen Storage Capacity in Metal–Organic Frameworks

Department of Mathematics, King Fahd University of Petroleum & Minerals, 31261 Dhahran, Saudi Arabia Interdisciplinary Center of Smart Mobility and Logistics, King Fahd University of Petroleum & ...