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Denali (pre-release)

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@marcosfelt marcosfelt released this 19 Feb 00:41
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This is a pre-release of Denali, our newest update to Summit. Key features include:

  • New Multitask strategy as in Multi-task Bayesian Optimization of Chemical Reactions (see #80)
  • New ENTMOOT optimization strategy from this paper (#77)
  • A refactor of the ExperimentalEmulator to use skorch (see #89)
  • Deprecation of Gryffin (this is not final and might change before the full release)
  • Trimming down of dependencies and faster imports due to better dependency management (see #87)

The docs still need to be updated to include the two new strategies and properly explain the changes to ExperimentalEmulator.