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---
name: ds-cross-validation
compatibility: opencode
completeness: 95
content-types:
- code
- guidance
- do-dont
- examples
description: '"Implements k-fold cross-validation, stratified cross-validation, time-series
cross-validation, and model validation strategies"'
license: MIT
maturity: stable
metadata:
domain: coding
output-format: code
related-skills: ds-bias-variance-tradeoff, ds-classification-metrics, ds-hyperparameter-tuning
ds-model-selection ds-regression-evaluation
role: implementation
scope: implementation
triggers: cross-validation, k-fold, stratified cross-validation, time-series cross-validation
validation
archetypes:
- tactical
- generation
anti_triggers:
- brainstorming
- vague ideation
- code golf
- over-engineering
response_profile:
verbosity: low
directive_strength: high
abstraction_level: operational
version: "1.0.0"
---
# Cross-Validation
Comprehensive guide to cross-validation in machine learning and data science workflows.
## When to Use This Skill
- Solving real-world model evaluation & selection problems
- Building machine learning pipelines with cross-validation
- Implementing best practices for cross-validation
- Optimizing model performance using cross-validation techniques
- Learning industry-standard approaches to cross-validation
## When NOT to Use This Skill
- When using pre-built libraries without understanding underlying concepts
- For toy problems that don't require cross-validation rigor
- When domain expertise in specific problem requires different approach
- If your problem doesn't require the complexity this skill provides
## Purpose and Key Concepts
Cross-Validation is a critical component of the machine learning workflow. This skill covers:
1. **Theoretical foundations** — Mathematical principles and statistical concepts
2. **Practical implementation** — Working code examples and patterns
3. **Common pitfalls** — Mistakes to avoid and how to recover from them
4. **Best practices** — Industry-standard approaches and optimization techniques
## Core Workflow
1. **Understand the problem** — Clearly define what you're solving for
2. **Select approach** — Choose the right technique for your data and constraints
3. **Implement solution** — Write clean, tested code following best practices
4. **Validate results** — Verify your implementation with tests and validation
5. **Optimize performance** — Improve efficiency and accuracy incrementally
## Implementation Patterns
### Pattern 1: Basic Cross-Validation
```python
import numpy as np
import pandas as pd
from sklearn.model_selection import KFold, cross_val_score
from sklearn.ensemble import RandomForestClassifier
from sklearn.datasets import make_classification
from sklearn.metrics import accuracy_score, classification_report
def basic_kfold_cv(X: np.ndarray, y: np.ndarray, n_splits: int = 5) -> dict:
"""Perform basic k-fold cross-validation and return metrics."""
if X.shape[0] != y.shape[0]:
raise ValueError("X and y must have the same number of samples.")
kf = KFold(n_splits=n_splits, shuffle=True, random_state=42)
model = RandomForestClassifier(n_estimators=100, random_state=42)
scores = cross_val_score(model, X, y, cv=kf, scoring='accuracy')
# Generate predictions for the first fold to demonstrate usage
train_idx, test_idx = next(kf.split(X))
model.fit(X[train_idx], y[train_idx])
y_pred = model.predict(X[test_idx])
return {
'mean_accuracy': float(np.mean(scores))
'std_accuracy': float(np.std(scores))
'fold_scores': scores.tolist()
'first_fold_report': classification_report(y[test_idx], y_pred, output_dict=True)
}
# Example usage with synthetic data
if __name__ == "__main__":
X, y = make_classification(n_samples=500, n_features=10, n_classes=2, random_state=42)
results = basic_kfold_cv(X, y, n_splits=5)
print(f"Mean CV Accuracy: {results['mean_accuracy']:.4f} (+/- {results['std_accuracy']:.4f})")
```
### Pattern 2: Production-Ready Cross-Validation
```python
import logging
import numpy as np
import pandas as pd
from typing import Any, Dict, List, Optional
from sklearn.model_selection import StratifiedKFold, TimeSeriesSplit, cross_validate
from sklearn.ensemble import GradientBoostingClassifier
from sklearn.preprocessing import StandardScaler
from sklearn.pipeline import Pipeline
from sklearn.datasets import load_breast_cancer
logger = logging.getLogger(__name__)
class ProductionCrossValidator:
"""Production-grade cross-validation wrapper with logging and error handling."""
def __init__(self, cv_strategy: str = 'stratified', n_splits: int = 5, random_state: int = 42):
self.cv_strategy = cv_strategy
self.n_splits = n_splits
self.random_state = random_state
self.logger = logging.getLogger(self.__class__.__name__)
def _get_cv_splitter(self, y: np.ndarray) -> Any:
if self.cv_strategy == 'stratified':
return StratifiedKFold(n_splits=self.n_splits, shuffle=True, random_state=self.random_state)
elif self.cv_strategy == 'timeseries':
return TimeSeriesSplit(n_splits=self.n_splits)
else:
raise ValueError(f"Unsupported CV strategy: {self.cv_strategy}")
def execute(self, X: pd.DataFrame, y: pd.Series, model: Any = None) -> Dict[str, Any]:
"""Execute cross-validation on provided data and model."""
try:
if X is None or y is None:
raise ValueError("Input data cannot be None")
if X.shape[0] != y.shape[0]:
raise ValueError("X and y must have matching sample counts")
if model is None:
model = Pipeline([
('scaler', StandardScaler())
('classifier', GradientBoostingClassifier(n_estimators=100, random_state=self.random_state))
])
cv_splitter = self._get_cv_splitter(y.values)
scoring_metrics = ['accuracy', 'precision_weighted', 'recall_weighted', 'f1_weighted']
cv_results = cross_validate(
model, X, y, cv=cv_splitter,
scoring=scoring_metrics, return_train_score=True, n_jobs=-1
)
self.logger.info(f"CV completed with strategy: {self.cv_strategy}")
return {
'status': 'success'
'cv_strategy': self.cv_strategy
'n_splits': self.n_splits
'test_scores': {k: float(np.mean(v)) for k, v in cv_results.items() if k.startswith('test_')}
'train_scores': {k: float(np.mean(v)) for k, v in cv_results.items() if k.startswith('train_')}
'fit_times': float(np.mean(cv_results['fit_time']))
'score_times': float(np.mean(cv_results['score_time']))
}
except Exception as e:
self.logger.error(f"Cross-validation failed: {str(e)}")
return {'status': 'error', 'message': str(e)}
# Example usage
if __name__ == "__main__":
logging.basicConfig(level=logging.INFO)
data = load_breast_cancer()
X, y = pd.DataFrame(data.data, columns=data.feature_names), pd.Series(data.target)
validator = ProductionCrossValidator(cv_strategy='stratified', n_splits=5)
results = validator.execute(X, y)
print(f"Test F1 Score: {results['test_scores']['f1_weighted']:.4f}")
```
## Best Practices
- ✅ Always validate your implementation on test data
- ✅ Document your assumptions and methodology
- ✅ Use version control for reproducibility
- ✅ Monitor performance metrics in production
- ✅ Periodically review and update your approach
- ✅ Test with edge cases and outliers
- ✅ Log all significant operations for debugging
## Common Pitfalls
| Pitfall | Problem | Solution |
|
---
---
## Constraints
### MUST DO
- Validate all data preprocessing steps are fit-only on training data, never on validation or test sets
- Implement reproducible pipelines with fixed random seeds and deterministic operations where possible
- Report model performance with confidence intervals via bootstrapping or cross-validation across multiple runs
- Log all experiments with parameters, metrics, and artifacts using MLflow or equivalent tracking system
### MUST NOT DO
- Do not evaluate a model on the same data used for training — always hold out a proper test set
- Avoid overfitting to the validation set by limiting hyperparameter search iterations
- Never use features that can only be computed at inference time (look-ahead bias)
- Do not report single-run accuracy without statistical significance testing or error bars
## Live References
> Authoritative documentation links for this skill's domain. The model follows markdown links at load time to resolve external references and inline content.
- [Scikit-learn Cross Validation](https://scikit-learn.org/stable/modules/cross_validation.html)
- [Model Selection / Cross-Validation (scikit-learn docs)](https://scikit-learn.org/stable/modules/model_selection.html)
- [Stratified K-Fold — Scikit-learn](https://scikit-learn.org/stable/modules/generated/sklearn.model_selection.StratifiedKFold.html)
- [Cross-Validation (Kaggle Learn)](https://www.kaggle.com/learn/cross-validation)
- [Optuna Cross-Validation Integration](https://optuna.readthedocs.io/en/stable/reference/sample.html)