The Kitchin Research Group

We have a new publication out! In this work we show how to use classification algorithms to find boundaries in science and engineering applications. These applications come up all over the place, for example you may want to know what compositions phase separate, and which ones are single phase, or what conditions lead to degradation and which ones don't. You might want to know which operating parameters have desirable properties, and which don't. In this work we show how to efficiently find the boundaries between these regions using active learning and a classifier. We show that this approach is generally better (more accurate and fewer experiments) than doing a dense grid search.

@article{bhat-2023-sequen-sampl,
  author =       {Maya Bhat and John R. Kitchin},
  title =        {Sequential Sampling Methods for Finding Classification
                  Boundaries in Engineering Applications},
  journal =      {Industrial \& Engineering Chemistry Research},
  volume =       {n/a},
  number =       {n/a},
  pages =        {n/a},
  year =         2023,
  doi =          {10.1021/acs.iecr.3c02362},
  url =          {http://dx.doi.org/10.1021/acs.iecr.3c02362}
}

Check out the Youtube video summary here:

Copyright (C) 2023 by John Kitchin. See the License for information about copying.

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