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Multitask Models #80

Merged
merged 37 commits into from
Dec 11, 2020
Merged

Multitask Models #80

merged 37 commits into from
Dec 11, 2020

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marcosfelt
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@marcosfelt marcosfelt commented Nov 14, 2020 •
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  • MTBO and STBO classes for single-task and mult-task BO implemented using BOtorch
  • New Transforms API
  • Experiments with MTBO and STBO for the paper in the ML4Molecules workshop at Neurips 2020

marcosfelt and others added 30 commits October 6, 2020 11:50
@marcosfelt
Multitask model demo using Botorch and streamlit
10fb2d8
@marcosfelt
Create figures for paper
2fd4c7b
@marcosfelt
Add MTBO strategy
445a1c4
@marcosfelt
Finish code for multitask strategy
8f60643
@marcosfelt
Add CategoricalEI wrapper
c9a90f2
@dswigh
new benchmark
76c1a3a
@dswigh
add new benchmark
8f7969d
@dswigh
update of kin model
b11101e
@marcosfelt
Change transform to include option for one-hot or descriptors
21a07d6
@marcosfelt
Use a vendored version of blitz as a stopgap
1cca238
@marcosfelt
Change un_transform to use categorical_method
9cf8b4d
@marcosfelt
Add Reizman Suzuki, fix some problems with transform
c1d95ac
@dswigh
Add 5 cases of MIT kinetic model
834bec2
@marcosfelt
Run comparison of multitask and single task on Baumgartner dataset
bbf0c83
@marcosfelt
Update baumgartner
dc0442d
@marcosfelt
Merge in multitask
b0e852e
@marcosfelt
Add kinetics study
62b38bc
@marcosfelt
--amend
c0de18d
@marcosfelt
Run similar kinetics study
9e9c4e8
@marcosfelt
Finish kinetic stuides
d9928e7
@marcosfelt
Finish work for NIPs paper
41f42c7
@marcosfelt
Get tutorials back into proper state
8e57818
@dswigh
updated doc strings
cbc2b0e
@marcosfelt
Update docs
2f3eb92
@marcosfelt
Merge branch 'dsw46_kin' of https://github.com/sustainable-processes/…
7773e9d 
…summit_private into dsw46_kin
@marcosfelt
Merge in Daniel's branch
84e1713
@marcosfelt
Update multitask tests
357f614
@marcosfelt
Lock again
22cbc16
@marcosfelt
Change to pyhton 3.7
03156ef
@marcosfelt
Fix transforms to comply with new API
7a0f812
@marcosfelt marcosfelt merged commit 8742129 into master Dec 11, 2020
@marcosfelt marcosfelt deleted the multitask branch February 11, 2021 10:39
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2 participants
@marcosfelt @dswigh