Release Notes Version 7 8: Difference between revisions

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imported>Scott
 
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Version 7.8 of PLS_Toolbox and Solo was released in June, 2014.
For general product information, see [http://www.eigenvector.com/software/pls_toolbox.htm PLS_Toolbox Product Page]. For information on Solo, see [http://www.eigenvector.com/software/solo.htm Solo Product Page].
(back to [[Release Notes PLS Toolbox and Solo]])
==New Features in Solo and PLS_Toolbox==
==New Features in Solo and PLS_Toolbox==


===[[asca| ASCA (Analysis of Variance Simultaneous Component Analysis)]]===
===[[asca| ASCA (Analysis of Variance Simultaneous Component Analysis)]]===
* Add new command-line and Analysis Window-based access to ASCA method
* Add new command-line and Analysis Window-based access to ASCA method
* Analyze
* Allows multivariate analysis of designed experiments by creating a PCA model for each of the ANOVA-calculated effect matrices.
* In the Analysis window, user can navigate through each factor's PCA model investigating the magnitude and influenced variables.
* Effect of each factor are reported in the Effects column and in the scores for the PCA model for the particular factor.
* The variable(s) which are significantly influenced by the factor are given by the loadings for the PCA model on that factor.
* Includes a permutation calculator which, when enabled, will report the probability that the given effect is significant (based on randomization of samples within each level of each given factor)


===Analysis Interface===
===Analysis Interface===
* Add ASCA (ANOVA Simultaneous Component Analysis) analysis method
* Add ASCA (ANOVA Simultaneous Component Analysis) analysis method
* Always reconcile variables in test set with model, even when the NUMBER of variables matches
* Add support for "wide" (thick) venetian blinds
* Add support for "wide" (thick) venetian blinds
* Give advice when current cross-validation conditions are non-optimal (in Cross-validation settings window AND in Analysis window)
* SVM-R / SVM-C: Support all cross-validation methods (not just random)
* Show visual display of cross-validation sample splitting
* Give advice when current cross-validation conditions are non-optimal
* Improve cross-validation speed
* Improve cross-validation speed
* ANN: fix for bug which showed the wrong CV predicted values for models with > 1 Node (always shows the CV Pred for 1 node)
* Add "weights" option to PLS and PLSDA to weight samples
* Add showyinbiplot option which allows hiding y-loadings in the Biplot
* Add showyinbiplot option which allows hiding y-loadings in the Biplot
* Speed improvements for iPLS, iPLSDA, Stepwise MLR
* For two-class PLSDA models, include the average number of samples CORRECT as additional column (translation of fractional error into actual number of samples)
* Add sorting option for dates in cache.
* Add sorting option for dates in cache.
* Allow drag/drop of exported model cache model+data format file into Analysis
* Add "rebuild model" to menu context menu (clear + build)
* Add Matthew's Correlation Coefficient to the output from confusionmatrix (two classes only)
* Calculate and show area under the curve (AUC) for ROC curves
* Calculate and display the min/max/ave percentage of samples left out per cross-validation cycle
* Add ability to automatically create plots when creating a report
* Better exporting of text-based information in Report Writer (e.g. Confusion tables and matrices)
* Always reconcile variables in test set with model, even when the NUMBER of variables matches
* ANN: fix for wrong CV predicted values shown for models with > 1 Node (RMSECV was correct)
* Fix for pointer not always getting set back to arrow
* Fix for pointer not always getting set back to arrow
* Add "weights" option to PLS and PLSDA to weight samples
* Speed improvements for iPLS, iPLSDA, Stepwise MLR
* Calculate and show area under the curve (AUC) for ROC curves


===Preprocessing===
===Preprocessing===
* Log10: Use an offset AND ignore negative values
* Log10: Use an offset AND ignore negative values
* Normalize: Allow normalization with multi-way data
* Normalize: Allow normalization with multi-way data
* Arithmetic: Add visual variable selection
* Arithmetic: Add visual variable selection and clarify other options
* GLSW: Make sure data .include field is applied to external data


===Browse===
===Browse===
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* Add new drag drop behavior for datasets onto datasets, datasets onto preprocessing, and datasets onto models.
* Add new drag drop behavior for datasets onto datasets, datasets onto preprocessing, and datasets onto models.
* Add support for F2 = rename selected variable
* Add support for F2 = rename selected variable
* Easier to navigate EigenGuide video list and improved handling when new list can't be obtained
* Give option to clear data from base workspace if large data is pushed into Analysis or Image Manager
* Give option to clear data from base workspace if large data is pushed into Analysis or Image Manager


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===Importers===
===Importers===
* Add new Bruker XRPD importer (.raw file format)
* Improved handling of imports when multiple importers match the file type
* Text graphical import tool - improved support for ignoring data, automatically detecting types, and visibility
* Text graphical import tool - improved support for ignoring data, automatically detecting types, and visibility
* Streamlined importing from GUIs- no longer necessary to select file type first, simply locate and load the file(s) of interest
* Streamlined importing from GUIs- no longer necessary to select file type first, simply locate and load the file(s) of interest
* Date format yyyymmddTHHMMSS (datestr format 30) is now recognized automatically
* Automatically sort filenames into alphabetical order when importing
* Automatically sort filenames into alphabetical order when importing
* Horiba importer ([[hjyreadr]]) automatically transpose image so that it matches Horiba's image mode
* Horiba importer ([[hjyreadr]]) automatically transpose image so that it matches Horiba's image mode
* Text importer ([[textreadr]]):
* Text importer ([[textreadr]]):
** Fix bug when number of total items is less than row/column "numerical value" threshold
** Date format yyyymmddTHHMMSS (datestr format 30) is now recognized automatically
** Fix bug when a double-quoted label happens to look numeric (don't convert to numeric unless there are NO other numeric values present); also improves speed slightly and cleans up code significantly
** Improved handling of small data tables
** Fix for bug which mis-assigned items when ignoring rows/columns (fix: adjust OTHER row/column indexes for the discarded rows)
** Fix handling of double-quoted label that looks numeric
** Recognize dates which use spelled out month names
** Recognize dates which use spelled out month names
** Add improved auto-detection of XLS (look for binary file)
** Add improved auto-detection of XLS (look for binary file)
** Allow "importtool" as synonym for "graphical_selection"
** Add catdim and autopermute options to manually control concatenation of multiple files
* SPC importer ([[spcreadr]]):
* SPC importer ([[spcreadr]]):
** Fix for bug reading files with negative scaling exponents (fexp<0)
** Fix for bug reading files with negative scaling exponents (fexp<0)
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===Plot Controls===
===Plot Controls===
* Add "automonotonic" flag to plotgui to avoid use of monotonic in "auto" mode unless allowed
* Add scroll-wheel functionality (zoom plot, combine with shift or control to zoom one axes, click and move to pan)
* Add scroll-wheel functionality (zoom plot, combine with shift or control to zoom one axes, click and move to pan)
* Add density-plot replot on zoom functionality
* Add click-to-highlight feature to move a line or class set to the front of the plot
* Add click-to-highlight feature to move a line or class set to the front of the plot
* Add class connect methods "spider" and "means" (connect means of each x)
* Significant improvement to speed of updating when plot control listbox does not need to be repopulated
* Significant improvement to speed of updating when plot control listbox does not need to be repopulated
* Add logic to bring target figure back to focus after docking controls (avoids issue that clicking on figure looses focus on figure)
* Add logic to bring target figure back to focus after docking controls (avoids issue that clicking on figure looses focus on figure)
* Add "automonotonic" flag to plotgui to avoid use of monotonic in "auto" mode unless allowed
* Add density-plot replot on zoom functionality
* Allow ALL options to be seen in settings
* Allow ALL options to be seen in settings
* Add class connect methods "spider" and "means" (connect means of each x)
* Change connect class toolbar button into a popup menu
* Change connect class toolbar button into a popup menu
* Convert Axis Settings from instant-pop-up to context-menu-based command
* Convert Axis Settings from instant-pop-up to context-menu-based command
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* Revise classmarkers to improve speed and automatically tie colors to classcolors
* Revise classmarkers to improve speed and automatically tie colors to classcolors


===[[Modelselector|Hierarchical Model Builder]]===
===[[Hierarchical Model Builder]]===
* Add ability to set preferences including whether Q and T2 tests are based on reduced statistics and what thresholds should be used to trigger "otherwise" in PLSDA-based rule nodes
* Add ability to set preferences including whether Q and T2 tests are based on reduced statistics and what thresholds should be used to trigger "otherwise" in PLSDA-based rule nodes
* Add scores as ouptut option for regression models
* Add scores as ouptut option for regression models
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* Add "copy image to clipboard" functionality.
* Add "copy image to clipboard" functionality.


===[[modeloptimizer|Model Optimizer]]===
===[[Modeloptimizergui|Model Optimizer]]===
* Fix bug that causes error when no y-block is loaded.
* Add R2C, R2CV, and compression information (from ANN and SVM models) to displayed fields


===[[mpca]] / [[parafac]]===
===[[mpca|MPCA]] / [[parafac|PARAFAC]]===
* Allow for single slab input for prediction if sizes of two existing modes match variables for n-way array
* Allow for single slab input for prediction if sizes of two existing modes match variables for n-way array


===[[bspcgui|Batch Processor]]===
* Fix for manually selecting batch steps.


==New Command-line Features and Functions==
==New Command-line Features and Functions==
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**Fix for bug when converting multiple inputs to options structure when one of those inputs was a cell array
**Fix for bug when converting multiple inputs to options structure when one of those inputs was a cell array
**Revision to logic - give preference to classes in DSO when grouping (if no classes passed) THEN use labels (if no classes present in DSO)
**Revision to logic - give preference to classes in DSO when grouping (if no classes passed) THEN use labels (if no classes present in DSO)
* [[brukerxrpdreadr]] -add new Bruker XRPD importer (.raw file format)
*[[confusionmatrix]] / [[confusiontable]]
*[[confusionmatrix]] / [[confusiontable]]
**Handle excluded samples in simca case.
**Handle excluded samples in simca case.
**Allow cell array of strings to be passed as trueClass and predClass
**Allow cell array of strings to be passed as trueClass and predClass
**Fix for bug in texttable output when no y is present
**Fix for bug in texttable output when no y is present
* [[dataset]] -Add augment to DSO, will create class that tracks augmented datasets after a cat.
* [[dataset]]
** -Add augment method, will create class that tracks augmented dataSets after a concatenation
** -Add table method, gets text table with labels from DataSet
* [[doegui|Experiment Designer]] -Add randomize menu item, overhaul options usage, and fix a few bugs with loading a DOE dataset.
* [[doegui|Experiment Designer]] -Add randomize menu item, overhaul options usage, and fix a few bugs with loading a DOE dataset.
* [[oplecorr]]  -Add new "Optical Path-Length Estimation and Correction" preprocessing (command-line only)
* [[reviewcrossval]] - Examines cross-validation settings for typical problems.
* [[textreadr]] -Add "catdim" and "autopermute" options to manually control concatenation of multiple files

Latest revision as of 16:33, 10 June 2014

Version 7.8 of PLS_Toolbox and Solo was released in June, 2014.

For general product information, see PLS_Toolbox Product Page. For information on Solo, see Solo Product Page.

(back to Release Notes PLS Toolbox and Solo)

New Features in Solo and PLS_Toolbox

ASCA (Analysis of Variance Simultaneous Component Analysis)

  • Add new command-line and Analysis Window-based access to ASCA method
  • Allows multivariate analysis of designed experiments by creating a PCA model for each of the ANOVA-calculated effect matrices.
  • In the Analysis window, user can navigate through each factor's PCA model investigating the magnitude and influenced variables.
  • Effect of each factor are reported in the Effects column and in the scores for the PCA model for the particular factor.
  • The variable(s) which are significantly influenced by the factor are given by the loadings for the PCA model on that factor.
  • Includes a permutation calculator which, when enabled, will report the probability that the given effect is significant (based on randomization of samples within each level of each given factor)

Analysis Interface

  • Add ASCA (ANOVA Simultaneous Component Analysis) analysis method
  • Add support for "wide" (thick) venetian blinds
  • SVM-R / SVM-C: Support all cross-validation methods (not just random)
  • Show visual display of cross-validation sample splitting
  • Give advice when current cross-validation conditions are non-optimal
  • Improve cross-validation speed
  • Add "weights" option to PLS and PLSDA to weight samples
  • Add showyinbiplot option which allows hiding y-loadings in the Biplot
  • Speed improvements for iPLS, iPLSDA, Stepwise MLR
  • For two-class PLSDA models, include the average number of samples CORRECT as additional column (translation of fractional error into actual number of samples)
  • Add sorting option for dates in cache.
  • Allow drag/drop of exported model cache model+data format file into Analysis
  • Add "rebuild model" to menu context menu (clear + build)
  • Add Matthew's Correlation Coefficient to the output from confusionmatrix (two classes only)
  • Calculate and show area under the curve (AUC) for ROC curves
  • Calculate and display the min/max/ave percentage of samples left out per cross-validation cycle
  • Add ability to automatically create plots when creating a report
  • Better exporting of text-based information in Report Writer (e.g. Confusion tables and matrices)
  • Always reconcile variables in test set with model, even when the NUMBER of variables matches
  • ANN: fix for wrong CV predicted values shown for models with > 1 Node (RMSECV was correct)
  • Fix for pointer not always getting set back to arrow

Preprocessing

  • Log10: Use an offset AND ignore negative values
  • Normalize: Allow normalization with multi-way data
  • Arithmetic: Add visual variable selection and clarify other options
  • GLSW: Make sure data .include field is applied to external data

Browse

  • Align variables (if possible) when joining two datasets in the samples dimension
  • Add new drag drop behavior for datasets onto datasets, datasets onto preprocessing, and datasets onto models.
  • Add support for F2 = rename selected variable
  • Easier to navigate EigenGuide video list and improved handling when new list can't be obtained
  • Give option to clear data from base workspace if large data is pushed into Analysis or Image Manager

Dataset Editor

  • Add View > Class and Axisscale Summary menu to EditDS (views Class Summary table)
  • Add View Boxplot to menus (simple boxplot call)

Importers

  • Add new Bruker XRPD importer (.raw file format)
  • Improved handling of imports when multiple importers match the file type
  • Text graphical import tool - improved support for ignoring data, automatically detecting types, and visibility
  • Streamlined importing from GUIs- no longer necessary to select file type first, simply locate and load the file(s) of interest
  • Automatically sort filenames into alphabetical order when importing
  • Horiba importer (hjyreadr) automatically transpose image so that it matches Horiba's image mode
  • Text importer (textreadr):
    • Date format yyyymmddTHHMMSS (datestr format 30) is now recognized automatically
    • Improved handling of small data tables
    • Fix handling of double-quoted label that looks numeric
    • Recognize dates which use spelled out month names
    • Add improved auto-detection of XLS (look for binary file)
  • SPC importer (spcreadr):
    • Fix for bug reading files with negative scaling exponents (fexp<0)
    • Fix to better handle files that have binary logs as well as text audit logs
    • Add ability to specify data is an image by including "imagesize=..." and "imageorder=..." in audit log
    • Add ability to specify author and name to be used by including them as key=value pairs in audit log

Plot Controls

  • Add scroll-wheel functionality (zoom plot, combine with shift or control to zoom one axes, click and move to pan)
  • Add click-to-highlight feature to move a line or class set to the front of the plot
  • Add class connect methods "spider" and "means" (connect means of each x)
  • Significant improvement to speed of updating when plot control listbox does not need to be repopulated
  • Add logic to bring target figure back to focus after docking controls (avoids issue that clicking on figure looses focus on figure)
  • Add "automonotonic" flag to plotgui to avoid use of monotonic in "auto" mode unless allowed
  • Add density-plot replot on zoom functionality
  • Allow ALL options to be seen in settings
  • Change connect class toolbar button into a popup menu
  • Convert Axis Settings from instant-pop-up to context-menu-based command
  • Axis Settings "all fonts" option now changes axes fonts too
  • Change class colors base to improve visibility
  • Move axis lines and class outlines to bottom of plot order so that right-click controls are not inaccessible
  • Exporting figure: add new "resizemode" option to control resizing behavior
  • Revise classmarkers to improve speed and automatically tie colors to classcolors

Hierarchical Model Builder

  • Add ability to set preferences including whether Q and T2 tests are based on reduced statistics and what thresholds should be used to trigger "otherwise" in PLSDA-based rule nodes
  • Add scores as ouptut option for regression models
  • Add "on-canvas" display of numerics, strings, errors, and model types
  • Added ability to set condition on end points before the content of the end point has been defined
  • Improve behavior when overwriting nodes with similar node type
  • Allow drag/drop of models onto nodes to overwrite existing rule node WITHOUT changing branches (if possible)
  • Allow double-click of model-based rule nodes to open model in Analysis
  • Fix for error using "load" toolbar button or menu option
  • Add "copy image to clipboard" functionality.

Model Optimizer

  • Add R2C, R2CV, and compression information (from ANN and SVM models) to displayed fields

MPCA / PARAFAC

  • Allow for single slab input for prediction if sizes of two existing modes match variables for n-way array

Batch Processor

  • Fix for manually selecting batch steps.

New Command-line Features and Functions

Misc New Functions

Command-Line Changes

  • anovadoe
    • Fix to force use of center points
    • Use design information to identify center points ONLY (don't infer based on values)
    • Allow input of matrix for y (squelches statistical tests - only reports coefficients)
    • Add calculation of 3-way interactions
    • Calculate the ANOVA decomposition column/matrices as needed for ASCA
  • boxplot
    • Fix for bug which would truncate labels to a single character
    • Fix for bug when converting multiple inputs to options structure when one of those inputs was a cell array
    • Revision to logic - give preference to classes in DSO when grouping (if no classes passed) THEN use labels (if no classes present in DSO)
  • brukerxrpdreadr -add new Bruker XRPD importer (.raw file format)
  • confusionmatrix / confusiontable
    • Handle excluded samples in simca case.
    • Allow cell array of strings to be passed as trueClass and predClass
    • Fix for bug in texttable output when no y is present
  • dataset
    • -Add augment method, will create class that tracks augmented dataSets after a concatenation
    • -Add table method, gets text table with labels from DataSet
  • Experiment Designer -Add randomize menu item, overhaul options usage, and fix a few bugs with loading a DOE dataset.
  • oplecorr -Add new "Optical Path-Length Estimation and Correction" preprocessing (command-line only)
  • reviewcrossval - Examines cross-validation settings for typical problems.
  • textreadr -Add "catdim" and "autopermute" options to manually control concatenation of multiple files