BayesianRidge / Regressor Layer
Bayesian Ridge Regression
Mathematical formulation:
Key characteristics:
- Automatic regularization
- Uncertainty estimation
- Robust predictions
- Full probabilistic model
Advantages:
- Automatic complexity control
- Uncertainty quantification
- Robust to overfitting
- Interpretable results
Common applications:
- Scientific modeling
- Robust regression
- Noisy data
- Predictive uncertainty
- Small datasets
Outputs:
- Predicted Table: Results with predictions
- Validation Results: Cross-validation metrics
- Test Metric: Hold-out performance
- Feature Importances: Coefficient estimates
SelectFeatures
[column, ...]Feature column selection for Bayesian Ridge:
Requirements:
-
Data properties:
- Numeric values
- No missing data
- Finite numbers
- Standardized features
-
Bayesian considerations:
- Prior compatibility
- Scale considerations
- Correlation structure
- Uncertainty patterns
-
Preprocessing needs:
- Scaling crucial
- Outlier handling
- Feature engineering
- Quality checks
-
Model specifics:
- Ridge assumptions
- Regularization impact
- Uncertainty modeling
- Prior knowledge
Note: If empty, uses all numeric columns except target
SelectTarget
columnTarget column specification for Bayesian Ridge:
Requirements:
-
Data type:
- Numeric continuous
- No missing values
- Finite numbers
- Real-valued
-
Statistical properties:
- Gaussian-like preferred
- Noise structure
- Scale considerations
- Outlier patterns
-
Bayesian modeling:
- Prior compatibility
- Uncertainty levels
- Noise estimation
- Model assumptions
-
Quality aspects:
- Distribution check
- Range verification
- Transformation needs
- Uncertainty assessment
Note: Must be a single numeric column
Params
oneofDefault configuration for Bayesian Ridge:
Core settings:
-
Model structure:
- Intercept included
- 300 iterations
- 1e-3 tolerance
-
Hyperparameters:
- Prior shape (α₁, λ₁): 1e-6
- Prior rate (α₂, λ₂): 1e-6
- Initial values: α=λ=1.0
-
Computation:
- No score monitoring
- Variational updates
- Automatic convergence
Best suited for:
- Initial modeling
- Standard regression
- Unknown noise levels
- General purpose use
Customizable parameters for Bayesian Ridge:
Parameter categories:
-
Optimization:
- Iteration control
- Convergence criteria
- Initial values
-
Prior specification:
- Noise precision (α)
- Weight precision (λ)
- Hyperparameters
-
Model structure:
- Intercept handling
- Score computation
- Monitoring options
Trade-offs:
- Computation vs precision
- Prior strength vs data
- Complexity vs fit
MaxIter
u32Maximum iterations for variational optimization:
Update sequence:
- Update weights (w)
- Update α (noise precision)
- Update λ (weight precision)
Typical ranges:
- Simple problems: 100-200
- Standard: 300
- Complex: 500-1000
Convergence factors:
- Data complexity
- Prior specifications
- Desired precision
- Initial values
Tol
f64Convergence tolerance threshold:
Stopping criterion:
Typical values:
- Strict: 1e-4 to 1e-5
- Standard: 1e-3
- Relaxed: 1e-2
Impact:
- Solution precision
- Computation time
- Parameter stability
Alpha1
f64Noise precision shape parameter:
Prior specification:
Effects:
- Controls noise model
- Influences uncertainty
- Affects robustness
Selection guide:
- Uninformative: 1e-6
- Informative: >1
- Based on noise knowledge
Alpha2
f64Noise precision rate parameter:
Prior specification:
Impact:
- Prior variance
- Uncertainty scale
- Model flexibility
Selection:
- Match with alpha_1
- Data-driven choice
- Prior knowledge
Lambda1
f64Weight precision shape parameter:
Prior structure:
Effects:
- Regularization strength
- Weight shrinkage
- Model complexity
Usage:
- Weak prior: 1e-6
- Strong prior: >1
- Problem-dependent
Lambda2
f64Weight precision rate parameter:
Expected precision:
Controls:
- Prior variance
- Regularization scale
- Model flexibility
Selection:
- Match with lambda_1
- Based on scale
- Prior knowledge
AlphaInit
f64Initial noise precision value:
Role in model:
- Starting point for α
- Initial uncertainty scale
- Convergence impact
Selection guide:
- Standard: 1.0
- High noise: <1.0
- Low noise: >1.0
- Data-driven choice
LambdaInit
f64Initial weight precision value:
Impact on model:
- Starting regularization
- Initial weight scale
- Convergence behavior
Selection guide:
- Standard: 1.0
- Stronger reg: >1.0
- Weaker reg: <1.0
- Problem-specific
ComputeScore
boolObjective function monitoring: whether to compute the objective function at each step of the model.
When True:
- Tracks convergence
- Monitors likelihood
- Enables diagnostics
- Validates updates
Trade-offs:
- Additional computation
- Better monitoring
- Memory usage
- Debugging capability
FitIntercept
boolIntercept calculation control:
Model forms: With intercept: Without intercept:
Effects when True:
- Centers predictions
- Improves fit
- Not regularized
- Standard modeling
Effects when False:
- Origin-constrained
- Full regularization
- Theory-driven
- Domain-specific cases
Hyperparameter optimization for Bayesian Ridge:
Search space organization:
-
Optimization parameters:
- Convergence control
- Initial values
- Iteration limits
-
Prior specifications:
- Noise precision (α)
- Weight precision (λ)
- Hyperparameters
-
Model structure:
- Intercept options
- Monitoring choices
- Computation control
Best practices:
- Log-scale for precisions
- Prior sensitivity analysis
- Multiple initializations
- Convergence verification
MaxIter
[u32, ...]Iteration limit search space:
Search patterns:
-
Basic range:
- [100, 300, 500]
- Standard problems
-
Extended search:
- [300, 500, 1000]
- Complex problems
-
Convergence study:
- [200, 400, 800]
- Iteration impact
Tol
[f64, ...]Tolerance threshold search:
Search ranges:
-
High precision:
- [1e-5, 1e-4, 1e-3]
- Accurate solutions
-
Standard range:
- [1e-4, 1e-3, 1e-2]
- Balanced approach
-
Quick convergence:
- [1e-3, 1e-2]
- Faster solutions
Alpha1
[f64, ...]Noise precision shape parameter search:
Search spaces:
-
Uninformative priors:
- [1e-6, 1e-4, 1e-2]
- Weak assumptions
-
Informative priors:
- [0.1, 1.0, 10.0]
- Strong beliefs
-
Mixed approach:
- Multiple scales
- Prior sensitivity
Alpha2
[f64, ...]Noise precision rate parameter search:
Search strategies:
-
Match alpha_1:
- Similar values
- Balanced priors
-
Scale exploration:
- [1e-6, 1e-4, 1e-2]
- Various scales
-
Prior impact:
- Different combinations
- Sensitivity analysis
Lambda1
[f64, ...]Weight precision shape parameter search:
Search patterns:
-
Weak regularization:
- [1e-6, 1e-4, 1e-2]
- Flexible weights
-
Strong regularization:
- [0.1, 1.0, 10.0]
- Strict control
-
Comprehensive:
- Mixed strengths
- Effect study
Lambda2
[f64, ...]Weight precision rate parameter search:
Search spaces:
-
Match lambda_1:
- Balanced priors
- Standard approach
-
Scale variation:
- [1e-6, 1e-4, 1e-2]
- Different scales
-
Regularization impact:
- Various combinations
- Control study
AlphaInit
[f64, ...]Initial noise precision search:
Search ranges:
-
Standard range:
- [0.1, 1.0, 10.0]
- Common values
-
Wide range:
- [0.01, 1.0, 100.0]
- Exploration
-
Problem-specific:
- Based on noise
- Data characteristics
LambdaInit
[f64, ...]Initial weight precision search:
Search patterns:
-
Conservative:
- [0.1, 1.0, 10.0]
- Standard range
-
Exploratory:
- [0.01, 1.0, 100.0]
- Wide coverage
-
Focused:
- Around promising values
- Based on results
ComputeScore
[bool, ...]Score computation evaluation:
Options:
-
No monitoring: [false]
- Faster computation
- Standard training
-
With monitoring: [true]
- Convergence tracking
- Diagnostic information
-
Compare: [true, false]
- Performance impact
- Resource trade-off
FitIntercept
[bool, ...]Intercept inclusion search:
Options:
-
Standard: [true]
- Default modeling
- Better fit
-
Zero-intercept: [false]
- Theory-driven
- Full regularization
-
Compare: [true, false]
- Model evaluation
- Impact analysis
RefitScore
enumRegression model evaluation metrics:
Purpose:
- Model performance evaluation
- Error measurement
- Quality assessment
- Model comparison
Selection criteria:
- Error distribution
- Scale sensitivity
- Domain requirements
- Business objectives
Model's native scoring method:
- Typically R² score
- Model-specific implementation
- Standard evaluation
- Quick assessment
Coefficient of determination (R²):
Formula:
Properties:
- Range: (-∞, 1]
- 1: Perfect prediction
- 0: Constant model
- Negative: Worse than mean
Best for:
- General performance
- Variance explanation
- Model comparison
- Standard reporting
Explained variance score:
Formula:
Properties:
- Range: (-∞, 1]
- Accounts for bias
- Variance focus
- Similar to R²
Best for:
- Variance analysis
- Bias assessment
- Model stability
Maximum absolute error:
Formula:
Properties:
- Worst case error
- Original scale
- Sensitive to outliers
- Upper error bound
Best for:
- Critical applications
- Error bounds
- Safety margins
- Risk assessment
Negative mean absolute error:
Formula:
Properties:
- Linear error scale
- Robust to outliers
- Original units
- Negated for optimization
Best for:
- Robust evaluation
- Interpretable errors
- Outlier presence
Negative mean squared error:
Formula:
Properties:
- Squared error scale
- Outlier sensitive
- Squared units
- Negated for optimization
Best for:
- Standard optimization
- Large error penalty
- Statistical analysis
Negative root mean squared error:
Formula:
Properties:
- Original scale
- Outlier sensitive
- Interpretable units
- Negated for optimization
Best for:
- Standard reporting
- Interpretable errors
- Model comparison
Negative mean squared logarithmic error:
Formula:
Properties:
- Relative error scale
- For positive values
- Sensitive to ratios
- Negated for optimization
Best for:
- Exponential growth
- Relative differences
- Positive predictions
Negative median absolute error:
Formula:
Properties:
- Highly robust
- Original scale
- Outlier resistant
- Negated for optimization
Best for:
- Robust evaluation
- Heavy-tailed errors
- Outlier presence
Negative Poisson deviance:
Formula:
Properties:
- For count data
- Non-negative values
- Poisson assumption
- Negated for optimization
Best for:
- Count prediction
- Event frequency
- Rate modeling
Negative Gamma deviance:
Formula:
Properties:
- For positive continuous data
- Constant CV assumption
- Relative errors
- Negated for optimization
Best for:
- Positive continuous data
- Multiplicative errors
- Financial modeling
Negative mean absolute percentage error:
Formula:
Properties:
- Percentage scale
- Scale independent
- For non-zero targets
- Negated for optimization
Best for:
- Relative performance
- Scale-free comparison
- Business metrics
D² score with absolute error:
Formula:
Properties:
- Range: (-∞, 1]
- Robust version of R²
- Linear error scale
- Outlier resistant
Best for:
- Robust evaluation
- Non-normal errors
- Alternative to R²
D² score with pinball loss:
Properties:
- Quantile focus
- Asymmetric errors
- Risk assessment
- Distribution modeling
Best for:
- Quantile regression
- Risk analysis
- Asymmetric costs
- Distribution tails
D² score with Tweedie deviance:
Properties:
- Compound Poisson-Gamma
- Flexible dispersion
- Mixed distributions
- Insurance modeling
Best for:
- Insurance claims
- Mixed continuous-discrete
- Compound distributions
- Specialized modeling
Split
oneofStandard train-test split configuration optimized for general classification tasks.
Configuration:
- Test size: 20% (0.2)
- Random seed: 98
- Shuffling: Enabled
- Stratification: Based on target distribution
Advantages:
- Preserves class distribution
- Provides reliable validation
- Suitable for most datasets
Best for:
- Medium to large datasets
- Independent observations
- Initial model evaluation
Splitting uses the ShuffleSplit strategy or StratifiedShuffleSplit strategy depending on the field stratified
. Note: If shuffle is false then stratified must be false.
Configurable train-test split parameters for specialized requirements. Allows fine-tuning of data division strategy for specific use cases or constraints.
Use cases:
- Time series data
- Grouped observations
- Specific train/test ratios
- Custom validation schemes
RandomState
u64Random seed for reproducible splits. Ensures:
- Consistent train/test sets
- Reproducible experiments
- Comparable model evaluations
Same seed guarantees identical splits across runs.
Shuffle
boolData shuffling before splitting. Effects:
- true: Randomizes order, better for i.i.d. data
- false: Maintains order, important for time series
When to disable:
- Time dependent data
- Sequential patterns
- Grouped observations
TrainSize
f64Proportion of data for training. Considerations:
- Larger (e.g., 0.8-0.9): Better model learning
- Smaller (e.g., 0.5-0.7): Better validation
Common splits:
- 0.8: Standard (80/20 split)
- 0.7: More validation emphasis
- 0.9: More training emphasis
Stratified
boolMaintain class distribution in splits. Important when:
- Classes are imbalanced
- Small classes present
- Representative splits needed
Requirements:
- Classification tasks only
- Cannot use with shuffle=false
- Sufficient samples per class
Cv
oneofStandard cross-validation configuration using stratified 3-fold splitting.
Configuration:
- Folds: 3
- Method: StratifiedKFold
- Stratification: Preserves class proportions
Advantages:
- Balanced evaluation
- Reasonable computation time
- Good for medium-sized datasets
Limitations:
- May be insufficient for small datasets
- Higher variance than larger fold counts
- May miss some data patterns
Configurable stratified k-fold cross-validation for specific validation requirements.
Features:
- Adjustable fold count with
NFolds
determining the number of splits. - Stratified sampling
- Preserved class distributions
Use cases:
- Small datasets (more folds)
- Large datasets (fewer folds)
- Detailed model evaluation
- Robust performance estimation
NFolds
u32Number of cross-validation folds. Guidelines:
- 3-5: Large datasets, faster training
- 5-10: Standard choice, good balance
- 10+: Small datasets, thorough evaluation
Trade-offs:
- More folds: Better evaluation, slower training
- Fewer folds: Faster training, higher variance
Must be at least 2.
K-fold cross-validation without stratification. Divides data into k consecutive folds for iterative validation.
Process:
- Splits data into k equal parts
- Each fold serves as validation once
- Remaining k-1 folds form training set
Use cases:
- Regression problems
- Large, balanced datasets
- When stratification unnecessary
- Continuous target variables
Limitations:
- May not preserve class distributions
- Less suitable for imbalanced data
- Can create biased splits with ordered data
NSplits
u32Number of folds for cross-validation. Selection guide: Recommended values:
- 5: Standard choice (default)
- 3: Large datasets/quick evaluation
- 10: Thorough evaluation/smaller datasets
Trade-offs:
- Higher values: More thorough, computationally expensive
- Lower values: Faster, potentially higher variance
Must be at least 2 for valid cross-validation.
RandomState
u64Random seed for fold generation when shuffling. Important for:
- Reproducible results
- Consistent fold assignments
- Benchmark comparisons
- Debugging and validation
Set specific value for reproducibility across runs.
Shuffle
boolWhether to shuffle data before splitting into folds. Effects:
- true: Randomized fold composition (recommended)
- false: Sequential splitting
Enable when:
- Data may have ordering
- Better fold independence needed
Disable for:
- Time series data
- Ordered observations
Stratified K-fold cross-validation maintaining class proportions across folds.
Key features:
- Preserves class distribution in each fold
- Handles imbalanced datasets
- Ensures representative splits
Best for:
- Classification problems
- Imbalanced class distributions
- When class proportions matter
Requirements:
- Classification tasks only
- Sufficient samples per class
- Categorical target variable
NSplits
u32Number of stratified folds. Guidelines: Typical values:
- 5: Standard for most cases
- 3: Quick evaluation/large datasets
- 10: Detailed evaluation/smaller datasets
Considerations:
- Must allow sufficient samples per class per fold
- Balance between stability and computation time
- Consider smallest class size when choosing
RandomState
u64Seed for reproducible stratified splits. Ensures:
- Consistent fold assignments
- Reproducible results
- Comparable experiments
- Systematic validation
Fixed seed guarantees identical stratified splits.
Shuffle
boolData shuffling before stratified splitting. Impact:
- true: Randomizes while maintaining stratification
- false: Maintains data order within strata
Use cases:
- true: Independent observations
- false: Grouped or sequential data
Class proportions maintained regardless of setting.
Random permutation cross-validator with independent sampling.
Characteristics:
- Random sampling for each split
- Independent train/test sets
- More flexible than K-fold
- Can have overlapping test sets
Advantages:
- Control over test size
- Fresh splits each iteration
- Good for large datasets
Limitations:
- Some samples might never be tested
- Others might be tested multiple times
- No guarantee of complete coverage
NSplits
u32Number of random splits to perform. Consider: Common values:
- 5: Standard evaluation
- 10: More thorough assessment
- 3: Quick estimates
Trade-offs:
- More splits: Better estimation, longer runtime
- Fewer splits: Faster, less stable estimates
Balance between computation and stability.
RandomState
u64Random seed for reproducible shuffling. Controls:
- Split randomization
- Sample selection
- Result reproducibility
Important for:
- Debugging
- Comparative studies
- Result verification
TestSize
f64Proportion of samples for test set. Guidelines: Common ratios:
- 0.2: Standard (80/20 split)
- 0.25: More validation emphasis
- 0.1: More training data
Considerations:
- Dataset size
- Model complexity
- Validation requirements
It must be between 0.0 and 1.0.
Stratified random permutation cross-validator combining shuffle-split with stratification.
Features:
- Maintains class proportions
- Random sampling within strata
- Independent splits
- Flexible test size
Ideal for:
- Imbalanced datasets
- Large-scale problems
- When class distributions matter
- Flexible validation schemes
NSplits
u32Number of stratified random splits. Guidelines: Recommended values:
- 5: Standard evaluation
- 10: Detailed analysis
- 3: Quick assessment
Consider:
- Sample size per class
- Computational resources
- Stability requirements
RandomState
u64Seed for reproducible stratified sampling. Ensures:
- Consistent class proportions
- Reproducible splits
- Comparable experiments
Critical for:
- Benchmarking
- Research studies
- Quality assurance
TestSize
f64Fraction of samples for stratified test set. Best practices: Common splits:
- 0.2: Balanced evaluation
- 0.3: More thorough testing
- 0.15: Preserve training size
Consider:
- Minority class size
- Overall dataset size
- Validation objectives
It must be between 0.0 and 1.0.
Time Series cross-validator. Provides train/test indices to split time series data samples that are observed at fixed time intervals, in train/test sets. It is a variation of k-fold which returns first k
folds as train set and the k + 1
th fold as test set. Note that unlike standard cross-validation methods, successive training sets are supersets of those that come before them. Also, it adds all surplus data to the first training partition, which is always used to train the model.
Key features:
- Maintains temporal dependence
- Expanding window approach
- Forward-chaining splits
- No future data leakage
Use cases:
- Sequential data
- Financial forecasting
- Temporal predictions
- Time-dependent patterns
Note: Training sets are supersets of previous iterations.
NSplits
u32Number of temporal splits. Considerations: Typical values:
- 5: Standard forward chaining
- 3: Limited historical data
- 10: Long time series
Impact:
- Affects training window growth
- Determines validation points
- Influences computational load
MaxTrainSize
u64Maximum size of training set. Should be strictly less than the number of samples. Applications:
- 0: Use all available past data
- >0: Rolling window of fixed size
Use cases:
- Limit historical relevance
- Control computational cost
- Handle concept drift
- Memory constraints
TestSize
u64Number of samples in each test set. When 0:
- Auto-calculated as n_samples/(n_splits+1)
- Ensures equal-sized test sets
Considerations:
- Forecast horizon
- Validation requirements
- Available future data
Gap
u64Number of samples to exclude from the end of each train set before the test set.Gap between train and test sets. Uses:
- Avoid data leakage
- Model forecast lag
- Buffer periods
Common scenarios:
- 0: Continuous prediction
- >0: Forward gap for realistic evaluation
- Match business forecasting needs