Release Notes Version 6 5: Difference between revisions
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===Classification Methods=== | ===Classification Methods=== | ||
* Total flexibility in choosing class sets to model (through class groups interfaces or Edit > Options > Method Options menu) | |||
* Confusion table and matrix tools added | |||
* Unified reporting of classification results for SIMCA, KNN, PLSDA, and SVMDA including: | |||
:*all class probabilities | |||
:*most probable assignment | |||
:*strict in-class assignment | |||
:*strict multi-class assignments | |||
* KNN Cross-validation fully supported | |||
===Design Of Experients (DOE) Tools=== | ===Design Of Experients (DOE) Tools=== | ||
* Significant addition of tools for DOE generation and testing | |||
* Experiement Designer tool added to create, examine, and print run sheets for designed experiments [[doegui]] | |||
* DOE Anova tool added to calculate significance of factors and interactions | |||
* Added support tools to: scale factors, calculate interactions, identify confused factors and interactions | |||
* Design generation tools included for: | |||
:*Mixed-level Full Factorial Designs (factdes) | |||
:*Fractional Factorial Designs (ffacdes1) | |||
:*Face and Spherical Central Composite Designs (ccdface, ccdsphere) | |||
:*Box-Behnken Designs (boxbehnken) | |||
* Command-line tools added include: | |||
:[[anovadoe]] - Function to perform ANOVA for 2^k factorial model X, Y data | |||
:[[boxbehnken]] - Create a Box-Behnken Design of Experiments. | |||
:[[ccdface]] - Create a Face-Centered Central Composite Design of Experiments. | |||
:[[ccdsphere]] - Create a Spherical Central Composite Design of Experiments. | |||
:[[doegen]] - Generate a Design of Experiments (DOE) DataSet object. | |||
:[[doegui]] - Design of Experiments tool. | |||
:[[doeeffectsplot]] - Main & Interaction Effects plots. | |||
:[[doeinteractions]] - Calculates interaction terms of a raw DOE matrix. | |||
:[[doescale]] - Convert coded DOE to scaled DOE or scaled back to coded. | |||
:[[factdes]] - Full factorial design of experiments. | |||
:[[ffacconfusion]] - DOECONFUSION Generates confusion table for a fractional factorial DOE. | |||
:[[ffacdes1]] - FACTDES Fractional factorial 2-level design of experiments. | |||
===Other Method Improvements=== | ===Other Method Improvements=== | ||
* Permutation testing of regression and classification models greatly improved with probabilities of model significance and plots | |||
* Support Vector Machine One-Class support added (svmoc; command-line only) | |||
* MCR/ALS contrast algorithm improved providing better handling of low signal cases. | |||
* MLR support for studentized residuals, T^2 and limits added | |||
* MODELSELECTOR trigger can now use of any classification model or a simple logical test on predictions from a regression or PCA model. | |||
===Preprocessing=== | ===Preprocessing=== | ||
* Spectral Alignment method added (using either peak alignment using [[registerspec]] or Correlation Optimized Warping (COW)) | |||
* Correlation Optimized Warping (COW) and Dynamic Time Warping (DTW) added (from http://www.models.kvl.dk/DTW_COW ) | |||
* Poisson scaling offset support added | |||
* Class centering method added for Multilevel PLS models and other clutter-correction methods | |||
* "Transform" options for data blocks in Analysis window. Context menu gives quick access to: | |||
:* Batch Digestion (MPCA, Summary PCA) | |||
:* Calibration Transfer | |||
:* Polynomial Augmentation (Non-linear modeling) | |||
:* Coadd Data Reduction (Down-sampling) | |||
:* Calibration Sample Selection (redundant sample exclusion, re Westerhuis method) | |||
* Baseline removal improved with manual entry of baseline points and easier graphical selection. | |||
* GLSW improved to work with multi-class PLSDA classification models (multivariate logical y-blocks) | |||
* Help and technical details easy-access links added to Preprocessing Window | |||
* Descriptions automatically update to show current settings for adjustable methods | |||
===Import / Export=== | ===Import / Export=== | ||
* Omnic SPA file importer added | |||
* Galactic DHB file importer added (support in SPC reader) | |||
* 3-way data importing from multiple files or multiple Excel spreadsheets added | |||
* Excel multi-sheet document importing improved (better labeling and concatenation options) | |||
* XML format, improved importing of objects and image DataSets | |||
* System clipboard importing improved | |||
* Importer list easier to navigate | |||
* Autoexport tool added for easy saving of data to external formats | |||
===DataSet Editor=== | ===DataSet Editor=== | ||
* Summary statistics for all or part of the given data (View > Summary Statistics, context menu access) added | |||
* Access to all classes, labels, and axisscales on data table view (pull-down menus on Data tab) | |||
* Date stamps as axisscales improved. Dates are displayed as text dates and not datestamp values | |||
* Selection of data improved with easier selection full integration with plots of data | |||
* Data exchange between interfaces improved (File > Send To menu) | |||
* Quick access to commonly used operations (via toolbar buttons) | |||
===Plot Controls=== | ===Plot Controls=== | ||
* "Stacked" plots (automatic y-scale toolbar button cycles through scaled data, stacked data, normal view) | |||
* "Color by" any related data or user-selected data | |||
* "Invert selection" toolbar button added | |||
* Improved access to data in table format | |||
* Persistent selection capability. Selection mode stays activated after a selection. (Optional - disable through settings) | |||
* Customizable line widths (context menu on the plot) | |||
* Customizable figure toolbar to choose which toolbar buttons are shown. | |||
* Time-based axes have improved automatic update after a zoom or pan | |||
===Analysis Window=== | ===Analysis Window=== | ||
* Automatic data augmentation by simply importing / loading new data | |||
* Easier to read format for main table with improved information | |||
* Model Cache speed improvements | |||
===Workspace Browser=== | ===Workspace Browser=== | ||
* DOE Experiment Designer and easy Calibration Transfer model application added | |||
* Drag/drop of multiple items improved | |||
===Command-line Tool Changes=== | ===Command-line Tool Changes=== | ||
*''Full Support for Matlab R2011b'' | |||
*[[crossval]] - improved display of classification results, improved integration with model input | |||
*[[fasternnls]] - improved performance for large numbers of factors and for low signal problems | |||
*[[flucut]] - new function to remove scatter from fluorescence EEM data | |||
*[[parafac2]] - improved memory efficiency and missing data support | |||
*[[residuallimit]] - add support for calculating confidence level from given Q value and a model | |||
*[[stdgen]] - tuned performance | |||
*[[summary]] - improved output and display options. Now outputs DSO or displays more useful data. | |||
*[[svmda]] - improved parameter selection for special cases | |||
*[[svmoc]] - Add support for one-class SVM. | |||
*[[wlsbaseline]] - added variable weights as output (weighting used on each variable in spectrum) | |||
*[[excludemissing]] - improved handling of unusual missing data patterns | |||
Revision as of 16:42, 12 September 2011
Version 6.5 of PLS_Toolbox and Solo was released in October, 2011.
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
Classification Methods
- Total flexibility in choosing class sets to model (through class groups interfaces or Edit > Options > Method Options menu)
- Confusion table and matrix tools added
- Unified reporting of classification results for SIMCA, KNN, PLSDA, and SVMDA including:
- all class probabilities
- most probable assignment
- strict in-class assignment
- strict multi-class assignments
- KNN Cross-validation fully supported
Design Of Experients (DOE) Tools
- Significant addition of tools for DOE generation and testing
- Experiement Designer tool added to create, examine, and print run sheets for designed experiments doegui
- DOE Anova tool added to calculate significance of factors and interactions
- Added support tools to: scale factors, calculate interactions, identify confused factors and interactions
- Design generation tools included for:
- Mixed-level Full Factorial Designs (factdes)
- Fractional Factorial Designs (ffacdes1)
- Face and Spherical Central Composite Designs (ccdface, ccdsphere)
- Box-Behnken Designs (boxbehnken)
- Command-line tools added include:
- anovadoe - Function to perform ANOVA for 2^k factorial model X, Y data
- boxbehnken - Create a Box-Behnken Design of Experiments.
- ccdface - Create a Face-Centered Central Composite Design of Experiments.
- ccdsphere - Create a Spherical Central Composite Design of Experiments.
- doegen - Generate a Design of Experiments (DOE) DataSet object.
- doegui - Design of Experiments tool.
- doeeffectsplot - Main & Interaction Effects plots.
- doeinteractions - Calculates interaction terms of a raw DOE matrix.
- doescale - Convert coded DOE to scaled DOE or scaled back to coded.
- factdes - Full factorial design of experiments.
- ffacconfusion - DOECONFUSION Generates confusion table for a fractional factorial DOE.
- ffacdes1 - FACTDES Fractional factorial 2-level design of experiments.
Other Method Improvements
- Permutation testing of regression and classification models greatly improved with probabilities of model significance and plots
- Support Vector Machine One-Class support added (svmoc; command-line only)
- MCR/ALS contrast algorithm improved providing better handling of low signal cases.
- MLR support for studentized residuals, T^2 and limits added
- MODELSELECTOR trigger can now use of any classification model or a simple logical test on predictions from a regression or PCA model.
Preprocessing
- Spectral Alignment method added (using either peak alignment using registerspec or Correlation Optimized Warping (COW))
- Correlation Optimized Warping (COW) and Dynamic Time Warping (DTW) added (from http://www.models.kvl.dk/DTW_COW )
- Poisson scaling offset support added
- Class centering method added for Multilevel PLS models and other clutter-correction methods
- "Transform" options for data blocks in Analysis window. Context menu gives quick access to:
- Batch Digestion (MPCA, Summary PCA)
- Calibration Transfer
- Polynomial Augmentation (Non-linear modeling)
- Coadd Data Reduction (Down-sampling)
- Calibration Sample Selection (redundant sample exclusion, re Westerhuis method)
- Baseline removal improved with manual entry of baseline points and easier graphical selection.
- GLSW improved to work with multi-class PLSDA classification models (multivariate logical y-blocks)
- Help and technical details easy-access links added to Preprocessing Window
- Descriptions automatically update to show current settings for adjustable methods
Import / Export
- Omnic SPA file importer added
- Galactic DHB file importer added (support in SPC reader)
- 3-way data importing from multiple files or multiple Excel spreadsheets added
- Excel multi-sheet document importing improved (better labeling and concatenation options)
- XML format, improved importing of objects and image DataSets
- System clipboard importing improved
- Importer list easier to navigate
- Autoexport tool added for easy saving of data to external formats
DataSet Editor
- Summary statistics for all or part of the given data (View > Summary Statistics, context menu access) added
- Access to all classes, labels, and axisscales on data table view (pull-down menus on Data tab)
- Date stamps as axisscales improved. Dates are displayed as text dates and not datestamp values
- Selection of data improved with easier selection full integration with plots of data
- Data exchange between interfaces improved (File > Send To menu)
- Quick access to commonly used operations (via toolbar buttons)
Plot Controls
- "Stacked" plots (automatic y-scale toolbar button cycles through scaled data, stacked data, normal view)
- "Color by" any related data or user-selected data
- "Invert selection" toolbar button added
- Improved access to data in table format
- Persistent selection capability. Selection mode stays activated after a selection. (Optional - disable through settings)
- Customizable line widths (context menu on the plot)
- Customizable figure toolbar to choose which toolbar buttons are shown.
- Time-based axes have improved automatic update after a zoom or pan
Analysis Window
- Automatic data augmentation by simply importing / loading new data
- Easier to read format for main table with improved information
- Model Cache speed improvements
Workspace Browser
- DOE Experiment Designer and easy Calibration Transfer model application added
- Drag/drop of multiple items improved
Command-line Tool Changes
- Full Support for Matlab R2011b
- crossval - improved display of classification results, improved integration with model input
- fasternnls - improved performance for large numbers of factors and for low signal problems
- flucut - new function to remove scatter from fluorescence EEM data
- parafac2 - improved memory efficiency and missing data support
- residuallimit - add support for calculating confidence level from given Q value and a model
- stdgen - tuned performance
- summary - improved output and display options. Now outputs DSO or displays more useful data.
- svmda - improved parameter selection for special cases
- svmoc - Add support for one-class SVM.
- wlsbaseline - added variable weights as output (weighting used on each variable in spectrum)
- excludemissing - improved handling of unusual missing data patterns
NEW FUNCTIONS AND FILES
- TBC