Add METAB Integration Workflow Tutorial #1635
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…plete the model evaluation.
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I think the notebook (and perhaps all supporting files in this PR) belong in the tutorials directory. We should also add this tutorial to the tutorial landing page, like so: https://github.com/watertap-org/watertap/pull/1629/files#diff-fb90839f4ae252cbbfa6a8cd312447cdffc4d87f63bed1bc1cd2629b06753fddR24-R26 |
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Also, we should aim to have this merged before the California workshop. Thus, I think you can add the optional dependencies here: https://github.com/watertap-org/watertap/pull/1629/files#diff-fb90839f4ae252cbbfa6a8cd312447cdffc4d87f63bed1bc1cd2629b06753fddR24-R26 |
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One more comment--for the California workshop, we should add the next step of integrating the surrogates into a flowsheet (i.e., with BSM1, assuming we can make that work given our previous PRs). If not BSM1 directly, then some example of where we use the surrogates to generate example results. |
luohezhiming
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luohezhiming
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LGTM. Some suggestions could be addressed later:
- Add a brief description of QSD-SAN model will help users to understand the context
- Tutorials show 4 surrogate modeling methods but only show results with polynomial, the users might want to see another modeling result for a comparison,
MarcusHolly
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MarcusHolly
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A couple of minor suggestions/questions, but overall this looks really good to me
watertap/flowsheets/METAB/Integration_Workflow_Tutorial/model_integration_workflow.ipynb
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| "\n", | ||
| "> Zhang, X., Arnold, W. A., Wright, N., Novak, P. J., & Guest, J. S. (2024). *Prioritization of early-stage research and development of a hydrogel-encapsulated anaerobic technology for distributed treatment of high strength organic wastewater.* Environmental Science & Technology, 58(44), 19651–19665. \n", | ||
| "\n", | ||
| "The model was implemented on the external modeling platform **QSD-SAN**. \n", |
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I agree with Chenyu that it'd be nice to have a little blurb here briefly describing QSD-SAN
watertap/flowsheets/METAB/Integration_Workflow_Tutorial/model_integration_workflow.ipynb
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| "from performance_estimation import display_performace\n", | ||
| "display_performace( method=\"poly\", \n", | ||
| " path=\"./results/\",)" |
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Is there a simpler way to compare model performance rather than just using display_performance for each of the 4 options. I'm assuming this is the goal of the parity plot(s), but you just haven't gotten around to adding it yet?
…integration_workflow.ipynb Co-authored-by: MarcusHolly <[email protected]>
…integration_workflow.ipynb Co-authored-by: MarcusHolly <[email protected]>
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Summary/Motivation:
This PR adds a tutorial demonstrating the surrogate model–based model integration workflow.
The tutorial will be used as part of the PSE Summit breakout session to support the presentation on novel technology screening (with METAB as the case study).
The goal is to showcase how surrogate modeling can streamline integration of external models into process systems analysis workflows in WaterTAP.
Changes proposed in this PR:
Notes for Reviewers:
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