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Wasserstein Gradient Boosting: A Framework for Distribution-Valued Supervised Learning

Neural Information Processing Systems

Gradient boosting is a sequential ensemble method that fits a new weaker learner to pseudo residuals at each iteration. We propose Wasserstein gradient boosting, a novel extension of gradient boosting, which fits a new weak learner to alternative pseudo residuals that are Wasserstein gradients of loss functionals of probability distributions assigned at each input. It solves distribution-valued supervised learning, where the output values of the training dataset are probability distributions. In classification and regression, a model typically returns, for each input, a point estimate of a parameter of a noise distribution specified for a response variable, such as the class probability parameter of a categorical distribution specified for a response label. A main application of Wasserstein gradient boosting in this paper is tree-based evidential learning, which returns a distributional estimate of the response parameter for each input. We empirically demonstrate the competitive performance of the probabilistic prediction by Wasserstein gradient boosting in comparison with existing uncertainty quantification methods.


Towards a Unified Analysis of Neural Networks in Nonparametric Instrumental Variable Regression: Optimization and Generalization

Chen, Zonghao, Nitanda, Atsushi, Gretton, Arthur, Suzuki, Taiji

arXiv.org Machine Learning

We establish the first global convergence result of neural networks for two stage least squares (2SLS) approach in nonparametric instrumental variable regression (NPIV). This is achieved by adopting a lifted perspective through mean-field Langevin dynamics (MFLD), unlike standard MFLD, however, our setting of 2SLS entails a \emph{bilevel} optimization problem in the space of probability measures. To address this challenge, we leverage the penalty gradient approach recently developed for bilevel optimization which formulates bilevel optimization as a Lagrangian problem. This leads to a novel fully first-order algorithm, termed \texttt{F$^2$BMLD}. Apart from the convergence bound, we further provide a generalization bound, revealing an inherent trade-off in the choice of the Lagrange multiplier between optimization and statistical guarantees. Finally, we empirically validate the effectiveness of the proposed method on an offline reinforcement learning benchmark.