Cognitive Accelerator for Chemistry | Compute smarter
04 Apr 2018



Cognitive Accelerator for Chemistry | ​Parameter sweep-type operations such as phase diagram exploration can be effectively accelerated by a cognitive approach which learns the shape of the parameter space.




Bayesian Optimisation automatically balances refining the detail of interesting features (exploitation) with ensuring good coverage of the whole space (exploration), using far fewer simulations than a grid-based approach. In the end, a more accurate result is achieved more quickly, and for lower cost.

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