Closed-Form Last Layer Optimization

Abstract: Neural networks are typically optimized with variants of stochastic gradient descent. Under a squared loss, however, the optimal solution to the linear last layer weights is known in closed-form. We propose to leverage this during optimization, treating the last layer as a function of the backbone parameters, and optimizing solely for these parameters. We show this is equivalent to alternating between gradient descent steps on the backbone and closed-form updates on the last layer. We adapt the method for the setting of stochastic gradient descent, by trading off the loss on the current batch against the accumulated information from previous batches. Further, we prove that, in the Neural Tangent Kernel regime, convergence of this method to an optimal solution is guaranteed. Finally, we demonstrate the effectiveness of our approach compared with standard SGD on a squared loss in several supervised tasks -- both regression and classification -- including Fourier Neural Operators and Instrumental Variable Regression.