Grid Search

Machine learning algorithms are critical for data-oriented decision-making. It is not common for professionals to depend on a single algorithm to address a business issue. Depending on the nature of the problem at hand, multiple suitable algorithms are typically applied, subsequently selecting the best model based on superior performance metrics.

Understanding Hyperparameters in Machine Learning

Hyperparameters and model parameters are key parts of the ML model, serving unique functions.

  • Model Parameters: Model parameters are variables utilized by the machine learning algorithm to predict outcomes based on past data. An optimization routine intrinsic to the ML algorithm is employed to calculate these. Consequently, neither users nor experts can assign these variables. They are used during the model training process.
  • Hyperparameters: On the other hand, hyperparameters are those that the user defines in the process of setting up the Machine Learning model. Thus, the hyperparameters are supplied before parameters, or it's fair to say hyperparameters are used in deducing the best model parameters. An important feature of hyperparameters is that the user building the model decides their values.

Methods to Determine the Best Hyperparameters

  • Manual Search: The Manual Search technique can help find the best hyperparameters using a trial-and-error method; however, this can be time-consuming, hindering the model development pace.
  • Random Search and Grid Search: Solutions like Random Search and Grid Search emerged. This section discusses how Grid Search operates and how GridSearchCV deals with cross-validation.
  • Grid Search: Grid Search measures the performance for each pairing of all provided hyperparameters and corresponding values, subsequently selecting the best value for hyperparameters.

The Role of Cross-Validation in Model Training

Cross-validation is used in model training. Typically, we split the data into training and testing sets before training the model.

  • K-fold Cross-validation: A popular variant of cross-validation. This procedure allocates the training data into 'k' segments iteratively, reserving one segment for testing and using the remaining k-1 segments for training the model in each iteration.

Grid Search in Model Evaluation

Once Data Processing activities are over, Grid Search is performed as part of model evaluation. A comparison of performance metrics between both Tuned and Untuned Models is always a healthy practice. For assistance, the scikit-learn API is an excellent resource, emphasizing the effectiveness of learning by doing.


Determining suitable hyperparameters can aid us in creating the most effective model. The techniques of Manual Search, Grid Search, Random Search, Bayesian Optimizations could be utilized to select hyperparameters for any model. This might take some time and resources but will assuredly yield superior results.

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