doe-analyzer 0.3.0__tar.gz

doe_analyzer-0.3.0/LICENSE

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+MIT License
+
+Copyright (c) 2026 Niklas Nordin
+
+Permission is hereby granted, free of charge, to any person obtaining a copy
+of this software and associated documentation files (the "Software"), to deal
+in the Software without restriction, including without limitation the rights
+to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
+copies of the Software, and to permit persons to whom the Software is
+furnished to do so, subject to the following conditions:
+
+The above copyright notice and this permission notice shall be included in all
+copies or substantial portions of the Software.
+
+THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
+IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
+FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE
+AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
+LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,
+OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE
+SOFTWARE.

doe_analyzer-0.3.0/PKG-INFO

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+Metadata-Version: 2.4
+Name: doe_analyzer
+Version: 0.3.0
+Summary: DOE Analyzer — desktop application for analysing design-of-experiments results from CSV.
+Author-email: Niklas Nordin <niklas.nordin@nequam.se>, "Claude (Anthropic)" <noreply@anthropic.com>
+License-Expression: MIT AND Apache-2.0
+Project-URL: Repository, https://gitlab.com/niklas.nordin.swe/doe_analyzer
+Project-URL: Issues, https://gitlab.com/niklas.nordin.swe/doe_analyzer/-/issues
+Classifier: Programming Language :: Python :: 3
+Classifier: Operating System :: POSIX :: Linux
+Classifier: Operating System :: Microsoft :: Windows
+Classifier: Environment :: X11 Applications :: Qt
+Classifier: Topic :: Scientific/Engineering
+Requires-Python: >=3.9
+Description-Content-Type: text/markdown
+License-File: LICENSE
+License-File: doe_analyzer/data/icons/LICENSE
+Requires-Dist: PySide6<7,>=6.11; python_version >= "3.12"
+Requires-Dist: PySide6<6.12,>=6.11; python_version >= "3.10" and python_version < "3.12"
+Requires-Dist: PySide6<6.12,>=6.8; python_version < "3.10"
+Requires-Dist: plotly<8,>=6.1
+Requires-Dist: numpy<3,>=2.0
+Requires-Dist: pandas<4,>=2.2
+Requires-Dist: scipy<2,>=1.13
+Requires-Dist: scikit-learn<2,>=1.5
+Requires-Dist: SALib<2,>=1.5
+Requires-Dist: pymoo<0.7,>=0.6.1
+Requires-Dist: statsmodels<1,>=0.14
+Requires-Dist: materialyoucolor<4,>=3.0
+Provides-Extra: umap
+Requires-Dist: umap-learn<1,>=0.5; extra == "umap"
+Provides-Extra: dev
+Requires-Dist: pytest<10,>=8; extra == "dev"
+Requires-Dist: pytest-timeout<3,>=2; extra == "dev"
+Requires-Dist: ruff<1,>=0.4; extra == "dev"
+Dynamic: license-file
+
+# DOE Analyzer
+
+Desktop application for analysing design-of-experiments results stored in CSV:
+one row per run, an ID column, the DOE parameters and the result functions,
+with the names in the first line.
+
+![DOE Analyzer: Pareto front of the zdt_constrained demo](https://gitlab.com/niklas.nordin.swe/doe_analyzer/-/raw/master/docs/screenshot.png)
+
+## Install and run
+
+Runs on Linux and Windows with Python 3.9 or newer. From PyPI:
+
+```bash
+pip install doe_analyzer                   # or 'doe_analyzer[umap]' for UMAP embeddings (numba)
+doe_analyzer                               # or: doe_analyzer file.csv | project.doeproj | --demo branin
+doe_analyzer --gl software                 # WebGL in software, where the GPU driver draws blank plots
+```
+
+On Windows `doe_analyzer-gui` starts it without a console window. A desktop Linux has the system libraries Qt needs;
+a minimal one (a container, a server image) needs those the CI installs ([.gitlab-ci.yml](https://gitlab.com/niklas.nordin.swe/doe_analyzer/-/blob/master/.gitlab-ci.yml)).
+
+From a clone of the repository:
+
+```bash
+python3 -m venv .venv
+.venv/bin/pip install -e '.[dev,umap]'     # umap is optional (UMAP embeddings)
+./doe_analyzer.sh                          # or: .venv/bin/doe_analyzer [file.csv | project.doeproj]
+./doe_analyzer.sh --demo zdt_constrained   # synthetic datasets: branin, ishigami, zdt_constrained,
+                                           # mixed_categorical, large_20k
+./doe_analyzer.sh --diagnose               # print the WebGL renderer in use
+```
+
+On Windows: `py -3 -m venv .venv`, `.venv\Scripts\pip install -e .[dev]`, then
+`.venv\Scripts\doe_analyzer-gui` (no console window).
+
+## In the browser
+
+From a clone of the repository, `python scripts/build_web.py` writes `doe_analyzer.html`: the application as one file of about 70 MB that opens in
+a current Chrome, Edge or Firefox with no server and no network. It is the same application, not a report of one:
+open a CSV or a project, set the columns, and use every page (the Python analysis code runs in the page, in
+WebAssembly). Nothing leaves the browser.
+
+* Files are opened with the folder button or dropped on the page; what the application writes (projects, plots as
+  PNG, SVG or a zip, rows, reports) is downloaded. A project is the `.doeproj` file next to its CSV: give the page
+  both files to restore it.
+* *Reload* (F5) reads the CSV again in Chrome and Edge; other browsers cannot read a file twice and ask for it.
+* Files the CSV names per run (images, curves) are given to the page with More → *Add run files…*.
+* The first start takes about ten seconds (the page unpacks Python and its libraries); the pages show at once.
+  Long computations (surrogates, optimisation) take about as long as in the desktop application, and *Cancel* stops
+  one by starting the engine again. Unlike the desktop application, pages compute one at a time (a page opened
+  while another computes waits for it, and says so), an option changed while a page computes takes effect when that
+  computation ends, Export all plots and the report have *Stop*, which stops after the current plot, and Export all
+  plots writes PNG or SVG (a PDF is made one plot at a time).
+* Not in the browser: UMAP (PCA, t-SNE and MDS are; a project saved with UMAP opens with PCA), the PDF report
+  (the HTML report is), the log folder, recent files, *Save project as…* and the WebGL setting.
+* The build downloads the pinned runtime once into `build/web-cache`. See [DEVELOPMENT.md](https://gitlab.com/niklas.nordin.swe/doe_analyzer/-/blob/master/DEVELOPMENT.md).
+
+## Using it
+
+1. **Open a CSV** (Ctrl+O, or drop it on the window; the dialog's File name field takes a pasted
+   full path). The import preview shows the
+   detected encoding, delimiter and decimal separator (Swedish Excel `1,5;2,3`
+   works); override them if needed. No runs yet? *New design…* writes a design to
+   run: Latin hypercube or Sobol, full or two-level fractional factorial (highest
+   resolution), Plackett–Burman, Taguchi orthogonal arrays, central composite,
+   Box–Behnken, D-optimal, or for a mixture a simplex lattice, simplex centroid or
+   extreme vertices (with process variables); with a dataset open it also adds space-filling,
+   D-optimal, centre, replicate or axial runs to its design. *Reload* (F5)
+   reads the CSV again after new runs were added, keeping every setting.
+2. **Data page → Columns.** Tick the ID column and the result functions; every
+   other column is a DOE parameter (or tick Fidelity on the column that tells
+   cheap runs from expensive ones). Per column:
+   * type (continuous / discrete / categorical),
+   * scale — Linear, Log10 or Symlog (signed values spread over decades; C is the
+     half-width of the linear zone). The scale is suggested from the data and is
+     used everywhere: plot axes, binning, correlation, models, sampling;
+   * for results: goal (minimise / maximise / target), a constraint (≤ / ≥ limit or a range)
+     and an importance (1–5) for the overall desirability;
+   * for parameters: design-space bounds.
+   *Constraints* limits combinations of parameters (`x1 + x2 <= 10`): New design,
+   Next runs, Optimisation and What-if keep to them. A mixture is one with `=`
+   (`cement + water + sand = 100`; found on opening when the shares add up).
+   *Derived column* adds a result computed from others (`P_out / P_in`).
+3. **Explore** with the pages in the drawer. Lasso or box-select points in a
+   scatter, brush parallel-coordinate axes, select table rows, click a category
+   path: the selection is shared by every page. *Highlight* fades the rest;
+   *Filter* shows only the selection on the other pages. Chips under the title
+   clear it, turn it into a filter (keep only / exclude), hide failed runs or show
+   feasible runs only.
+4. **Export** (download icon / Ctrl+E): PNG with embedded DPI, SVG and PDF
+   (vector), with size presets, font size and theme (publication white, current UI,
+   dark). *Export all plots* writes every page; rows can be exported as CSV with
+   full precision. *Export plot as Python script* (code icon) writes the calls
+   of `doe_analyzer.api` that draw the plot without the app (see Scripting below).
+5. **Save the project** (Ctrl+S): `name.doeproj` next to the CSV keeps roles,
+   scales, goals and targets, constraints, importances, bounds, derived columns,
+   curve matches, constraints between parameters (a mixture's too), filters, page
+   settings and the neural network's shape, and is restored automatically when the
+   CSV is opened again.
+
+Numbers are read and written exactly (round-trip), stored as doubles, and shown
+with N significant digits (Settings → Numbers); a nonzero value never shows as 0.
+
+## Pages
+
+Every page, plot, method and option is explained in [docs/HELP.md](https://gitlab.com/niklas.nordin.swe/doe_analyzer/-/blob/master/docs/HELP.md); the same
+text is in the app (help button or F1 for the open page, Help in the navigation drawer for all of it).
+
+| Group | Page | What it does |
+|---|---|---|
+| Data | Data | Column roles, scales, goals (minimise, maximise, target), constraints (≤, ≥, range), importance, bounds, derived columns, constraints between parameters and mixtures (components adding up to a total); table; statistics |
+| | DOE quality | Space filling (discrepancy, distances) against a random design, 1D/2D projections, parameter correlation and VIF; where runs fail: rate per bin, classifier AUC, drivers, P(fail) map |
+| | Outliers | Robust z, robust Mahalanobis (MCD), isolation forest, LOF, cross-validated model residuals; select or exclude the flagged runs |
+| Explore | Distributions | Histograms, density, box, violin, ECDF, normal QQ; split by selection or category |
+| | Scatter | 2D (colour, size, trend), scatter matrix, 3D, ternary (three components' shares) |
+| | Parallel coordinates | Brushable axes (brushing selects), parallel categories |
+| | Correlation | Pearson (scale space), Spearman, Kendall, partial, mutual information, distance correlation |
+| Structure | PCA / t-SNE / UMAP | PCA scree, loadings and biplot; t-SNE, UMAP, MDS maps |
+| | Self-organizing map | Component planes (each column on the same map of the runs: correlated columns look alike) and the U-matrix with the runs (groups and the borders between them; lasso to select) |
+| | Clustering | k-means, Gaussian mixture, Ward, HDBSCAN, DBSCAN; profiles, choice of k, dendrogram; click a run to select its cluster |
+| Model | Sensitivity | SRC, SRRC, PRCC, RBD-FAST, PAWN, delta, type II ANOVA, main effects, interactions, half-normal plot and Pareto of effects; Sobol S1/ST and Morris on an automatic surrogate (its Q² shown); Sobol indices from a polynomial chaos expansion |
+| | Surrogate models | Linear model, polynomial RSM (also with terms selected by AICc), Gaussian process, RBF, random forest, extra trees, gradient boosting, SVR, MLP, kNN, polynomial chaos, multi-fidelity GP (co-kriging of cheap and expensive runs, marked by a Fidelity column), Scheffé mixture polynomials; 5-fold CV leaderboard in scale space and original units; parity, residuals, response surface, partial dependence with ICE, importance, a neural network's training history; equations and model export |
+| | What-if | Sliders per parameter (a mixture's keeping their total), every result predicted with a 90 % interval, prediction profiler, desirability with importance; maximise desirability; sweet spot (probability that every constraint is met over two parameters); design space (the largest box of parameter ranges around the point in which every setting meets every constraint with the required probability); robustness (Monte Carlo of parameter tolerances: P(met), ppm out, Cpk; FORM and importance sampling for small failure probabilities); predictions for a CSV of new settings; a whole curve predicted by a reduced-order model (POD) of the runs' curves; a mixture's triangle (a result, D or P(met) over three components) |
+| | Calibration | Bayesian calibration of the parameters experiments cannot set: a CSV of experiments (known settings, measured results and curves), the posterior by an ensemble MCMC on the surrogates (corner plot, credible intervals, measured against predicted, chains), the samples exported |
+| Decide | Pareto | Non-dominated runs, 2D/3D fronts, objective matrix, hypervolume, knee, TOPSIS ranking; progress over run order (best so far, hypervolume, feasible share); export the Pareto set |
+| | Compare runs | The selected runs side by side (the best values in bold, unmet constraints marked), as a radar of their parameters and results, their images, the images of the best and worst runs by a result, and their curves among all runs' (columns of per-run image or curve files); match a measured curve (a result to minimise, for calibration). A run's picture also shows when hovering over its point on any plot |
+| | Optimisation | Single objective (differential evolution + local polish) or NSGA-II on surrogates, with constraints; candidates with intervals and the nearest real run; robust design: the mean against the spread under parameter scatter, with reliability constraints and a limit on the spread (± 3σ), the best mean within it first |
+| | Next runs | Expected improvement, probability of improvement, lower confidence bound, expected hypervolume improvement (2–3 objectives), maximum uncertainty or maximin space filling; respects constraints and avoids failure regions; exports a CSV in your column layout |
+
+Model-based pages fit in each result's scale space (log10 of a Log10 result)
+and report accuracy in both spaces. Long computations run in the background
+with a progress bar and can be cancelled; GP fits use at most 1 500 runs, t-SNE
+3 000 and MDS 1 500 by default (always stated on the plot).
+
+**Reports** (download icon): an interactive HTML report (plotly inlined, opens
+offline) or a PDF report, with the column table, statistics and the chosen
+pages.
+
+## Scripting
+
+`doe_analyzer.api` is the same analysis without the window: each step a function, each returning a new dataset.
+*Export plot as Python script* writes these calls for the plot on screen; they are kept working across versions.
+
+```python
+import doe_analyzer.api as da
+
+ds = da.read_csv("study.csv")
+ds = da.set_column(ds, "y", role="result", goal="min")
+runs = da.runs(ds, [da.hide_failed()])
+snap = da.snapshot(ds, runs)
+opts = da.options(ds, "scatter", x="x1", y="y")
+result = da.compute(snap, "scatter", opts)
+fig = da.figure(snap, "scatter", "scatter", opts, result, da.publication_theme(font_pt=9))
+da.export(fig, "scatter.png", width=160, height=100, unit="mm", dpi=300)     # offscreen: no display needed
+```
+
+## Tests
+
+```bash
+.venv/bin/pytest                    # everything, headless (offscreen + software WebGL)
+.venv/bin/pytest -m "not webengine" # without QtWebEngine
+.venv/bin/python scripts/bench.py   # responsiveness on 20 000 rows
+.venv/bin/python scripts/export_all.py --demo all --out /tmp/plots
+.venv/bin/python scripts/build_help.py   # regenerate docs/HELP.md after editing doe_analyzer/data/help/*.md
+```
+
+## License
+
+MIT, see [LICENSE](https://gitlab.com/niklas.nordin.swe/doe_analyzer/-/blob/master/LICENSE). The icons are Google's Material Symbols, under
+Apache-2.0: [doe_analyzer/data/icons/LICENSE](https://gitlab.com/niklas.nordin.swe/doe_analyzer/-/blob/master/doe_analyzer/data/icons/LICENSE).

doe_analyzer-0.3.0/README.md

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+# DOE Analyzer
+
+Desktop application for analysing design-of-experiments results stored in CSV:
+one row per run, an ID column, the DOE parameters and the result functions,
+with the names in the first line.
+
+![DOE Analyzer: Pareto front of the zdt_constrained demo](https://gitlab.com/niklas.nordin.swe/doe_analyzer/-/raw/master/docs/screenshot.png)
+
+## Install and run
+
+Runs on Linux and Windows with Python 3.9 or newer. From PyPI:
+
+```bash
+pip install doe_analyzer                   # or 'doe_analyzer[umap]' for UMAP embeddings (numba)
+doe_analyzer                               # or: doe_analyzer file.csv | project.doeproj | --demo branin
+doe_analyzer --gl software                 # WebGL in software, where the GPU driver draws blank plots
+```
+
+On Windows `doe_analyzer-gui` starts it without a console window. A desktop Linux has the system libraries Qt needs;
+a minimal one (a container, a server image) needs those the CI installs ([.gitlab-ci.yml](https://gitlab.com/niklas.nordin.swe/doe_analyzer/-/blob/master/.gitlab-ci.yml)).
+
+From a clone of the repository:
+
+```bash
+python3 -m venv .venv
+.venv/bin/pip install -e '.[dev,umap]'     # umap is optional (UMAP embeddings)
+./doe_analyzer.sh                          # or: .venv/bin/doe_analyzer [file.csv | project.doeproj]
+./doe_analyzer.sh --demo zdt_constrained   # synthetic datasets: branin, ishigami, zdt_constrained,
+                                           # mixed_categorical, large_20k
+./doe_analyzer.sh --diagnose               # print the WebGL renderer in use
+```
+
+On Windows: `py -3 -m venv .venv`, `.venv\Scripts\pip install -e .[dev]`, then
+`.venv\Scripts\doe_analyzer-gui` (no console window).
+
+## In the browser
+
+From a clone of the repository, `python scripts/build_web.py` writes `doe_analyzer.html`: the application as one file of about 70 MB that opens in
+a current Chrome, Edge or Firefox with no server and no network. It is the same application, not a report of one:
+open a CSV or a project, set the columns, and use every page (the Python analysis code runs in the page, in
+WebAssembly). Nothing leaves the browser.
+
+* Files are opened with the folder button or dropped on the page; what the application writes (projects, plots as
+  PNG, SVG or a zip, rows, reports) is downloaded. A project is the `.doeproj` file next to its CSV: give the page
+  both files to restore it.
+* *Reload* (F5) reads the CSV again in Chrome and Edge; other browsers cannot read a file twice and ask for it.
+* Files the CSV names per run (images, curves) are given to the page with More → *Add run files…*.
+* The first start takes about ten seconds (the page unpacks Python and its libraries); the pages show at once.
+  Long computations (surrogates, optimisation) take about as long as in the desktop application, and *Cancel* stops
+  one by starting the engine again. Unlike the desktop application, pages compute one at a time (a page opened
+  while another computes waits for it, and says so), an option changed while a page computes takes effect when that
+  computation ends, Export all plots and the report have *Stop*, which stops after the current plot, and Export all
+  plots writes PNG or SVG (a PDF is made one plot at a time).
+* Not in the browser: UMAP (PCA, t-SNE and MDS are; a project saved with UMAP opens with PCA), the PDF report
+  (the HTML report is), the log folder, recent files, *Save project as…* and the WebGL setting.
+* The build downloads the pinned runtime once into `build/web-cache`. See [DEVELOPMENT.md](https://gitlab.com/niklas.nordin.swe/doe_analyzer/-/blob/master/DEVELOPMENT.md).
+
+## Using it
+
+1. **Open a CSV** (Ctrl+O, or drop it on the window; the dialog's File name field takes a pasted
+   full path). The import preview shows the
+   detected encoding, delimiter and decimal separator (Swedish Excel `1,5;2,3`
+   works); override them if needed. No runs yet? *New design…* writes a design to
+   run: Latin hypercube or Sobol, full or two-level fractional factorial (highest
+   resolution), Plackett–Burman, Taguchi orthogonal arrays, central composite,
+   Box–Behnken, D-optimal, or for a mixture a simplex lattice, simplex centroid or
+   extreme vertices (with process variables); with a dataset open it also adds space-filling,
+   D-optimal, centre, replicate or axial runs to its design. *Reload* (F5)
+   reads the CSV again after new runs were added, keeping every setting.
+2. **Data page → Columns.** Tick the ID column and the result functions; every
+   other column is a DOE parameter (or tick Fidelity on the column that tells
+   cheap runs from expensive ones). Per column:
+   * type (continuous / discrete / categorical),
+   * scale — Linear, Log10 or Symlog (signed values spread over decades; C is the
+     half-width of the linear zone). The scale is suggested from the data and is
+     used everywhere: plot axes, binning, correlation, models, sampling;
+   * for results: goal (minimise / maximise / target), a constraint (≤ / ≥ limit or a range)
+     and an importance (1–5) for the overall desirability;
+   * for parameters: design-space bounds.
+   *Constraints* limits combinations of parameters (`x1 + x2 <= 10`): New design,
+   Next runs, Optimisation and What-if keep to them. A mixture is one with `=`
+   (`cement + water + sand = 100`; found on opening when the shares add up).
+   *Derived column* adds a result computed from others (`P_out / P_in`).
+3. **Explore** with the pages in the drawer. Lasso or box-select points in a
+   scatter, brush parallel-coordinate axes, select table rows, click a category
+   path: the selection is shared by every page. *Highlight* fades the rest;
+   *Filter* shows only the selection on the other pages. Chips under the title
+   clear it, turn it into a filter (keep only / exclude), hide failed runs or show
+   feasible runs only.
+4. **Export** (download icon / Ctrl+E): PNG with embedded DPI, SVG and PDF
+   (vector), with size presets, font size and theme (publication white, current UI,
+   dark). *Export all plots* writes every page; rows can be exported as CSV with
+   full precision. *Export plot as Python script* (code icon) writes the calls
+   of `doe_analyzer.api` that draw the plot without the app (see Scripting below).
+5. **Save the project** (Ctrl+S): `name.doeproj` next to the CSV keeps roles,
+   scales, goals and targets, constraints, importances, bounds, derived columns,
+   curve matches, constraints between parameters (a mixture's too), filters, page
+   settings and the neural network's shape, and is restored automatically when the
+   CSV is opened again.
+
+Numbers are read and written exactly (round-trip), stored as doubles, and shown
+with N significant digits (Settings → Numbers); a nonzero value never shows as 0.
+
+## Pages
+
+Every page, plot, method and option is explained in [docs/HELP.md](https://gitlab.com/niklas.nordin.swe/doe_analyzer/-/blob/master/docs/HELP.md); the same
+text is in the app (help button or F1 for the open page, Help in the navigation drawer for all of it).
+
+| Group | Page | What it does |
+|---|---|---|
+| Data | Data | Column roles, scales, goals (minimise, maximise, target), constraints (≤, ≥, range), importance, bounds, derived columns, constraints between parameters and mixtures (components adding up to a total); table; statistics |
+| | DOE quality | Space filling (discrepancy, distances) against a random design, 1D/2D projections, parameter correlation and VIF; where runs fail: rate per bin, classifier AUC, drivers, P(fail) map |
+| | Outliers | Robust z, robust Mahalanobis (MCD), isolation forest, LOF, cross-validated model residuals; select or exclude the flagged runs |
+| Explore | Distributions | Histograms, density, box, violin, ECDF, normal QQ; split by selection or category |
+| | Scatter | 2D (colour, size, trend), scatter matrix, 3D, ternary (three components' shares) |
+| | Parallel coordinates | Brushable axes (brushing selects), parallel categories |
+| | Correlation | Pearson (scale space), Spearman, Kendall, partial, mutual information, distance correlation |
+| Structure | PCA / t-SNE / UMAP | PCA scree, loadings and biplot; t-SNE, UMAP, MDS maps |
+| | Self-organizing map | Component planes (each column on the same map of the runs: correlated columns look alike) and the U-matrix with the runs (groups and the borders between them; lasso to select) |
+| | Clustering | k-means, Gaussian mixture, Ward, HDBSCAN, DBSCAN; profiles, choice of k, dendrogram; click a run to select its cluster |
+| Model | Sensitivity | SRC, SRRC, PRCC, RBD-FAST, PAWN, delta, type II ANOVA, main effects, interactions, half-normal plot and Pareto of effects; Sobol S1/ST and Morris on an automatic surrogate (its Q² shown); Sobol indices from a polynomial chaos expansion |
+| | Surrogate models | Linear model, polynomial RSM (also with terms selected by AICc), Gaussian process, RBF, random forest, extra trees, gradient boosting, SVR, MLP, kNN, polynomial chaos, multi-fidelity GP (co-kriging of cheap and expensive runs, marked by a Fidelity column), Scheffé mixture polynomials; 5-fold CV leaderboard in scale space and original units; parity, residuals, response surface, partial dependence with ICE, importance, a neural network's training history; equations and model export |
+| | What-if | Sliders per parameter (a mixture's keeping their total), every result predicted with a 90 % interval, prediction profiler, desirability with importance; maximise desirability; sweet spot (probability that every constraint is met over two parameters); design space (the largest box of parameter ranges around the point in which every setting meets every constraint with the required probability); robustness (Monte Carlo of parameter tolerances: P(met), ppm out, Cpk; FORM and importance sampling for small failure probabilities); predictions for a CSV of new settings; a whole curve predicted by a reduced-order model (POD) of the runs' curves; a mixture's triangle (a result, D or P(met) over three components) |
+| | Calibration | Bayesian calibration of the parameters experiments cannot set: a CSV of experiments (known settings, measured results and curves), the posterior by an ensemble MCMC on the surrogates (corner plot, credible intervals, measured against predicted, chains), the samples exported |
+| Decide | Pareto | Non-dominated runs, 2D/3D fronts, objective matrix, hypervolume, knee, TOPSIS ranking; progress over run order (best so far, hypervolume, feasible share); export the Pareto set |
+| | Compare runs | The selected runs side by side (the best values in bold, unmet constraints marked), as a radar of their parameters and results, their images, the images of the best and worst runs by a result, and their curves among all runs' (columns of per-run image or curve files); match a measured curve (a result to minimise, for calibration). A run's picture also shows when hovering over its point on any plot |
+| | Optimisation | Single objective (differential evolution + local polish) or NSGA-II on surrogates, with constraints; candidates with intervals and the nearest real run; robust design: the mean against the spread under parameter scatter, with reliability constraints and a limit on the spread (± 3σ), the best mean within it first |
+| | Next runs | Expected improvement, probability of improvement, lower confidence bound, expected hypervolume improvement (2–3 objectives), maximum uncertainty or maximin space filling; respects constraints and avoids failure regions; exports a CSV in your column layout |
+
+Model-based pages fit in each result's scale space (log10 of a Log10 result)
+and report accuracy in both spaces. Long computations run in the background
+with a progress bar and can be cancelled; GP fits use at most 1 500 runs, t-SNE
+3 000 and MDS 1 500 by default (always stated on the plot).
+
+**Reports** (download icon): an interactive HTML report (plotly inlined, opens
+offline) or a PDF report, with the column table, statistics and the chosen
+pages.
+
+## Scripting
+
+`doe_analyzer.api` is the same analysis without the window: each step a function, each returning a new dataset.
+*Export plot as Python script* writes these calls for the plot on screen; they are kept working across versions.
+
+```python
+import doe_analyzer.api as da
+
+ds = da.read_csv("study.csv")
+ds = da.set_column(ds, "y", role="result", goal="min")
+runs = da.runs(ds, [da.hide_failed()])
+snap = da.snapshot(ds, runs)
+opts = da.options(ds, "scatter", x="x1", y="y")
+result = da.compute(snap, "scatter", opts)
+fig = da.figure(snap, "scatter", "scatter", opts, result, da.publication_theme(font_pt=9))
+da.export(fig, "scatter.png", width=160, height=100, unit="mm", dpi=300)     # offscreen: no display needed
+```
+
+## Tests
+
+```bash
+.venv/bin/pytest                    # everything, headless (offscreen + software WebGL)
+.venv/bin/pytest -m "not webengine" # without QtWebEngine
+.venv/bin/python scripts/bench.py   # responsiveness on 20 000 rows
+.venv/bin/python scripts/export_all.py --demo all --out /tmp/plots
+.venv/bin/python scripts/build_help.py   # regenerate docs/HELP.md after editing doe_analyzer/data/help/*.md
+```
+
+## License
+
+MIT, see [LICENSE](https://gitlab.com/niklas.nordin.swe/doe_analyzer/-/blob/master/LICENSE). The icons are Google's Material Symbols, under
+Apache-2.0: [doe_analyzer/data/icons/LICENSE](https://gitlab.com/niklas.nordin.swe/doe_analyzer/-/blob/master/doe_analyzer/data/icons/LICENSE).

doe_analyzer-0.3.0/doe_analyzer/__init__.py

@@ -0,0 +1,14 @@
+"""DOE Analyzer — analyse design-of-experiments results from CSV."""
+
+import warnings as _warnings
+
+__version__ = "0.3.0"
+
+# scikit-learn's forests warn about joblib's `delayed` on every fit when run
+# from worker threads; it is noise for this application.
+_warnings.filterwarnings("ignore", message=r".*sklearn\.utils\.parallel\.delayed.*", category=UserWarning)
+# MinCovDet (robust Mahalanobis outliers) warns on every fit when the data are
+# (nearly) singular, as with few discrete levels; the estimate is still used.
+_warnings.filterwarnings("ignore", message=r"Determinant has increased", category=RuntimeWarning)
+_warnings.filterwarnings("ignore", message=r"The covariance matrix associated to your dataset is not full rank",
+                         category=UserWarning)

doe_analyzer-0.3.0/doe_analyzer/__main__.py

@@ -0,0 +1,3 @@
+from doe_analyzer.main import main
+
+raise SystemExit(main())