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Linear mixed models and penalized least
squares
Douglas M. Bates
Department of Statistics, University of Wisconsin–Madison
Saikat DebRoy
Department of Biostatistics, Harvard School of Public Health
Abstract
Linear mixed-effects models are an important class of statistical models that are not
only used directly in many fields of applications but also used as iterative steps in
fitting other types of mixed-effects models, such as generalized linear mixed models.
The parameters in these models are typically estimated by maximum likelihood
(ML) or restricted maximum likelihood (REML). In general there is no closed form
solution for these estimates and they must be determined by iterative algorithms
such as EM iterations or general nonlinear optimization. Many of the intermediate
calculations for such iterations have been expressed as generalized least squares
problems. We show that an alternative representation as a penalized least squares
problem has many advantageous computational properties including the ability to
evaluate explicitly a profiled log-likelihood or log-restricted likelihood, the gradient
and Hessian of this profiled objective, and an ECME update to refine this objective.
Key words: REML, gradient, Hessian, EM algorithm, ECME algorithm,
maximum likelihood, profile likelihood, multilevel models
1 Introduction
We will establish some results for the penalized least squares representation
of a general form of a linear mixed-effects model, then show how these results
specialize for particular models. The general form we consider is
2 2 −1
y = Xβ + Zb + ∼ N (0, σ I ), b ∼ N (0, σ Ω ), ⊥ b (1)
where y is the n-dimensional response vector, X is a
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