Diversity and degrees of freedom in regression ensembles
This provides a theoretical foundation for ensemble methods in machine learning, though it is incremental as it builds on existing algorithms like Negative Correlation Learning.
The paper tackles the problem of understanding how diversity affects ensemble performance by linking it to degrees of freedom, showing that diversity acts as inverse regularization and that an appropriately tuned Negative Correlation Learning ensemble can outperform unregularized ensembles in noisy settings.
Ensemble methods are a cornerstone of modern machine learning. The performance of an ensemble depends crucially upon the level of diversity between its constituent learners. This paper establishes a connection between diversity and degrees of freedom (i.e. the capacity of the model), showing that diversity may be viewed as a form of inverse regularisation. This is achieved by focusing on a previously published algorithm Negative Correlation Learning (NCL), in which model diversity is explicitly encouraged through a diversity penalty term in the loss function. We provide an exact formula for the effective degrees of freedom in an NCL ensemble with fixed basis functions, showing that it is a continuous, convex and monotonically increasing function of the diversity parameter. We demonstrate a connection to Tikhonov regularisation and show that, with an appropriately chosen diversity parameter, an NCL ensemble can always outperform the unregularised ensemble in the presence of noise. We demonstrate the practical utility of our approach by deriving a method to efficiently tune the diversity parameter. Finally, we use a Monte-Carlo estimator to extend the connection between diversity and degrees of freedom to ensembles of deep neural networks.