IDAES/idaes-pse

Model Diagnostics Checklist

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#1,222 opened on Jul 11, 2023

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Priority:Lowcorediagnosticsenhancementhelp wanted

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Description

Related to #1208

This issue is to track general steps and tasks related to the new DiagnosticsToolbox class.

First Steps:

  • Create new DiagnosticsToolbox class - PR #1228
  • Structural Issues report
    • Model statistics - PR #1228
    • Unit consistency - PR #1228
    • D-M decomposition - PR #1228
    • Pyomo tool to detect potential evaluation errors - PR #1268
  • Numerical Issues report - PR #1228
    • Variables with no value or values near bounds or zero
    • Scaling issues
    • Jacobian analysis and condition number
  • Methods to assert no diagnostics issues found (for testing) - PR #1228
  • Basic documentation and examples - PR #1228
    • Run a Usability Study with team

Next Steps:

  • Integrate parameter sweep capabilities - PR #1284
    • standardize API for parameter sweep/model convergence analysis
    • Use Pysmo for parameter sampling
    • Extend diagnostics tools to support multiple samples
  • Integrate Block-Triangularization decomposition into tools
    • Allow numerical analysis on independent sub-blocks
  • Add SVD analysis to new class - PR #1256
    • Address issues with SVD tool - at least partially in PR #1256
  • Rewrite degeneracy hunter as part of new class - PR #1256
    • deprecate old DegeneracyHunter class
  • Extended documentation and examples
  • Methods to return the variables/constraints associated with the feedback (e.g., "get_poorly_scaled_variables" etc) would be useful so that once I know which variables or constraints I need to scale, I can quickly access them (particularly in the case where there is discretization and there is a whole set of variables that need similar scaling)
  • For the large residuals utility, printing more information (e.g., the magnitude of the residual, possibly sorted) would be helpful
  • Support for binary and integer variables
  • Residuals checks should ignore satisfied inequalities

Possible extensions:

- [ ] Tool to detect linearly dependent equations?

  • Tool to detect high index DAEs?

Contributor guide

Research direction
Familiarize yourself with the existing DiagnosticsToolbox class and pick an unchecked task from the checklist to implement.
Tech stack
python
Domain
backend
Issue type
Refactor
DifficultyEstimated implementation difficulty for a new contributor, from 1 for very small changes to 5 for expert-level work.
3
Estimated timeA rough time range for an experienced contributor to investigate, implement, test, and prepare a pull request.
Over 1 week
Activity statusHow available the issue appears right now: fresh, active, stale, blocked, or waiting on maintainer input.
Active
ClarityHow clearly the issue explains the expected change, acceptance criteria, and next step.
Clear
Prerequisites
Git
Newbie friendlinessA 1-100 score estimating how approachable this issue is for first-time contributors.
40