The success of a molecular dynamics simulation depends on the accuracy of the force field used to define the atomic interactions. It is challenging to train both classical and modern machine-learning ...
Understanding the mechanism of how neural networks learn features from data is a fundamental problem in machine learning. Our work explicitly connects the mechanism of neural feature learning to a ...
Purdue University’s Artificial Intelligence Microcredentials offer quick and convenient online courses that cover the fundamentals of artificial intelligence and its applications. Every course ...
Creative Commons (CC): This is a Creative Commons license. Attribution (BY): Credit must be given to the creator. In this work, we demonstrate that Linear Discriminant Analysis (LDA) applied to atomic ...
Creative Commons (CC): This is a Creative Commons license. Attribution (BY): Credit must be given to the creator. Chemometric methods are broadly used in the chemical and biochemical sectors.