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Hardness benchmark #440

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Hardness benchmark #440

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ritalyu17
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@ritalyu17 ritalyu17 commented Dec 3, 2024

Work in progress Integrated Hardness benchmarking task.

To-do:

  • replace the dataset

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@ritalyu17 ritalyu17 marked this pull request as ready for review December 16, 2024 08:11
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ritalyu17 commented Dec 16, 2024

The hardness benchmark is ready for review and some feedbacks.

Currently, the bayesian optimization component and multi-task component are set to two Benchmark. Main reason for seperating them is because the arguments in simulate_scenarios are different, specifically initial_data. Maybe there is a way to make the code look nicer?

Thank you!

dfComposition_temp = dfComposition_temp.sort_values(by="load")
# if there are any duplicate values for load, drop them
dfComposition_temp = dfComposition_temp.drop_duplicates(subset="load")
# if there are less than 5 values, continue to the next composition
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Too verbose I think, comments like this can be removed which are very self-explanatory. Overall, just too many comments like this

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Fixed

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Quick comment from my side as I also have some stuff regarding comments in my review: I agree with @sgbaird that such individual line comments are not necessary. However, I would appreciate a bit more "high-level" comments like "Filtering composition for which less than 5 hardness values are available", descring what a full block of code is doing.

Note that I only unresolved this comment to make it easier for you to spot this comment here of mine, feel free to immediately un-resolve :)

benchmarks/domains/Hardness.py Outdated Show resolved Hide resolved
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AVHopp commented Dec 19, 2024

Just FYI: I will give my review here mid of January :)

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First of all, thanks for the benchmark :) This is a very first and quick review since I think that minor changes from your end will simplify the review process for me quite significantly. Also, note that the way that there was a PR involving the lookup mechanism (#441 ) This might (or might not) have an influence on your benchmark here.

Hence, I would appreciate if you could rebase your example onto main, verify that this benchmark is compatible with the new lookup and include the first batch of comments. Then I'll be more than happy to give it a full and proper review :)

@@ -0,0 +1,284 @@
"""
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This autogenerated header should be deleted and should instead have a short one-line description of what this benchmark is about.


# IMPORT AND PREPROCESS DATA------------------------------------------------------------------------------
strHomeDir = os.getcwd()
dfMP = pd.read_csv(
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These variable names are not really expressive, could you give some more detailed names? Abbreviating stuff like "df" for "dataframe" is fine, but it is not clear what "MP" is supposed to mean.

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Also, a lot of your variables have redundant or incorrect names: You call a lot of things "temp", but they do not seem to be temporaray but instead are used later on. In my opinion, such variables should then not be called "_temp". Moreover, you tend to include the type of an object in its name, e.g. in lstParameters_bb. This list could however simply be called `parameters". Hence, please review and adjust all of your variable names as this makes it a bit hard to interpret the code.

)


# IMPORT AND PREPROCESS DATA------------------------------------------------------------------------------
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There is no need for these kind of headers, ideally remove them or replace them by more descriptive comments.

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Ideally, you could briefly describe what happens here in the pre-processing: That is, what does this benchmark describe, what is the pre-processing doing and why is it necessary.

Also, general question (also to @AdrianSosic and @Scienfitz ): Wouldn't it be sufficient to just have the pre-processed data as a .csv file here?

lstElementCols = dfExp.columns.to_list()[4:]

# ----- FUTHER CLEAN THE DATA BASED ON THE EDA -----
# initialize an empty dataframe to store the integrated hardness values
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Please capitalize the first word of all comments to be consistent with how we write comments.

# sort the data by load
dfComposition_temp = dfComposition_temp.sort_values(by="load")
dfComposition_temp = dfComposition_temp.drop_duplicates(subset="load")
if len(dfComposition_temp) < 5: # continue to the next composition
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Why do you continue in this case?


__all__ = ["BENCHMARKS"]

# python -m benchmarks
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This line should be removed.

from benchmarks.domains.Hardness import hardness_benchmark, hardness_transfer_learning_benchmark

BENCHMARKS: list[Benchmark] = [
#synthetic_2C1D_1C_benchmark,
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Please add the original benchmark and remove the comment on the other benchmark as these things are technically independent.

print("Hardness benchmark is a maximization task on experimental hardness dataset. ")
print("The dataset is downselect to 94 composition with more than 5 hardness values. ")
print("The hardness values are integrated using cubic spline interpolation, and the task is to maximize the integrated hardness. ")
print("")
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Rather add a "\n" at the end of a previous print if you want to have a new line.


benchmark_config = ConvergenceExperimentSettings(
batch_size=1,
n_doe_iterations=20,
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Can you elaborate on why you chose these values?

# create a list of dataframes with n samples from dfLookupTable_source to use as initial data
lstInitialData_temp = [dfLookupTable_source.sample(n) for _ in range(settings.n_mc_iterations)]

return simulate_scenarios(
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Something is weird here: You only ever call this with the latest value of n, which is 30. Why do you then create several different campaigns and lists?

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