AI Enhanced Discovery and Optimization

A.I enhanced molecular discovery and optimization    By Flawnson Tong  in BlogUseJournal

We’re on the verge of a new scientific method, one that utilizes the power of artificial intelligence to accelerate the development of scientific discoveries.

“The amount of data being generated by experiments and simulations has given rise to the fourth paradigm of science over the last few years, which is data driven science, and it unifies the first three paradigms of theory, experiment, and computation/simulation.” — Ankit Agrawal of Northwestern University

Science can often be like a stick in the mud, hence the first two paradigms of theoretical and experimental science proved to be slow or two reasons:

lack of empirical evidence in theoretical knowledge (1st paradigm)
The abundance of human bias in experiments (2nd paradigm)

Computers however, changed the game for science, and we began to fully appreciate the accuracy and speed these incredible devices bring. The 3rd paradigm of computation and simulation was one of great promise, however limited by the technology of its time. This lead us to the 4th paradigm.

The 4th paradigm took advantage of a digital byproduct from the computation paradigm: data. Data science, while not an exact science, can lead to performance and accuracy so high that often times, they can identify new methods, equations, and ideas that we have yet to discover with science .... "