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Supplementary Material to " Sufficient dimension reduction for classification using principal optimal transport direction "

Neural Information Processing Systems

Hence, to prove Theorem 1, it is sufficient to show that S (B) = S (Σ) holds. To verify S ( B) = S ( Σ), we only need to show the following two results hold: (I). We now begin with the statement (I). This completes the proof for Statement I. We then turn to Statement II.


A Particle Algorithm for Mean-Field Variational Inference

Du, Qiang, Wang, Kaizheng, Zhang, Edith, Zhong, Chenyang

arXiv.org Machine Learning

Variational inference is a fast and scalable alternative to Markov chain Monte Carlo and has been widely applied to posterior inference tasks in statistics and machine learning. A traditional approach for implementing mean-field variational inference (MFVI) is coordinate ascent variational inference (CAVI), which relies crucially on parametric assumptions on complete conditionals. In this paper, we introduce a novel particle-based algorithm for mean-field variational inference, which we term PArticle VI (PAVI). Notably, our algorithm does not rely on parametric assumptions on complete conditionals, and it applies to the nonparametric setting. We provide non-asymptotic finite-particle convergence guarantee for our algorithm. To our knowledge, this is the first end-to-end guarantee for particle-based MFVI.


Stochastic variance-reduced Gaussian variational inference on the Bures-Wasserstein manifold

Luu, Hoang Phuc Hau, Yu, Hanlin, Williams, Bernardo, Hartmann, Marcelo, Klami, Arto

arXiv.org Machine Learning

Optimization in the Bures-Wasserstein space has been gaining popularity in the machine learning community since it draws connections between variational inference and Wasserstein gradient flows. The variational inference objective function of Kullback-Leibler divergence can be written as the sum of the negative entropy and the potential energy, making forward-backward Euler the method of choice. Notably, the backward step admits a closed-form solution in this case, facilitating the practicality of the scheme. However, the forward step is no longer exact since the Bures-Wasserstein gradient of the potential energy involves "intractable" expectations. Recent approaches propose using the Monte Carlo method -- in practice a single-sample estimator -- to approximate these terms, resulting in high variance and poor performance. We propose a novel variance-reduced estimator based on the principle of control variates. We theoretically show that this estimator has a smaller variance than the Monte-Carlo estimator in scenarios of interest. We also prove that variance reduction helps improve the optimization bounds of the current analysis. We demonstrate that the proposed estimator gains order-of-magnitude improvements over the previous Bures-Wasserstein methods.


Transformed Distribution Matching for Missing Value Imputation

Zhao, He, Sun, Ke, Dezfouli, Amir, Bonilla, Edwin

arXiv.org Artificial Intelligence

We study the problem of imputing missing values in a dataset, which has important applications in many domains. The key to missing value imputation is to capture the data distribution with incomplete samples and impute the missing values accordingly. In this paper, by leveraging the fact that any two batches of data with missing values come from the same data distribution, we propose to impute the missing values of two batches of samples by transforming them into a latent space through deep invertible functions and matching them distributionally. To learn the transformations and impute the missing values simultaneously, a simple and well-motivated algorithm is proposed. Our algorithm has fewer hyperparameters to fine-tune and generates high-quality imputations regardless of how missing values are generated. Extensive experiments over a large number of datasets and competing benchmark algorithms show that our method achieves state-of-the-art performance.


Forward-backward Gaussian variational inference via JKO in the Bures-Wasserstein Space

Diao, Michael, Balasubramanian, Krishnakumar, Chewi, Sinho, Salim, Adil

arXiv.org Artificial Intelligence

Variational inference (VI) seeks to approximate a target distribution $\pi$ by an element of a tractable family of distributions. Of key interest in statistics and machine learning is Gaussian VI, which approximates $\pi$ by minimizing the Kullback-Leibler (KL) divergence to $\pi$ over the space of Gaussians. In this work, we develop the (Stochastic) Forward-Backward Gaussian Variational Inference (FB-GVI) algorithm to solve Gaussian VI. Our approach exploits the composite structure of the KL divergence, which can be written as the sum of a smooth term (the potential) and a non-smooth term (the entropy) over the Bures-Wasserstein (BW) space of Gaussians endowed with the Wasserstein distance. For our proposed algorithm, we obtain state-of-the-art convergence guarantees when $\pi$ is log-smooth and log-concave, as well as the first convergence guarantees to first-order stationary solutions when $\pi$ is only log-smooth.


Bounds on Wasserstein distances between continuous distributions using independent samples

Papp, Tamás, Sherlock, Chris

arXiv.org Machine Learning

The plug-in estimator of the Wasserstein distance is known to be conservative, however its usefulness is severely limited when the distributions are similar as its bias does not decay to zero with the true Wasserstein distance. We propose a linear combination of plug-in estimators for the squared 2-Wasserstein distance with a reduced bias that decays to zero with the true distance. The new estimator is provably conservative provided one distribution is appropriately overdispersed with respect the other, and is unbiased when the distributions are equal. We apply it to approximately bound from above the 2-Wasserstein distance between the target and current distribution in Markov chain Monte Carlo, running multiple identically distributed chains which start, and remain, overdispersed with respect to the target. Our bound consistently outperforms the current state-of-the-art bound, which uses coupling, improving mixing time bounds by up to an order of magnitude.


Plugin Estimation of Smooth Optimal Transport Maps

Manole, Tudor, Balakrishnan, Sivaraman, Niles-Weed, Jonathan, Wasserman, Larry

arXiv.org Machine Learning

We analyze a number of natural estimators for the optimal transport map between two distributions and show that they are minimax optimal. We adopt the plugin approach: our estimators are simply optimal couplings between measures derived from our observations, appropriately extended so that they define functions on $\mathbb{R}^d$. When the underlying map is assumed to be Lipschitz, we show that computing the optimal coupling between the empirical measures, and extending it using linear smoothers, already gives a minimax optimal estimator. When the underlying map enjoys higher regularity, we show that the optimal coupling between appropriate nonparametric density estimates yields faster rates. Our work also provides new bounds on the risk of corresponding plugin estimators for the quadratic Wasserstein distance, and we show how this problem relates to that of estimating optimal transport maps using stability arguments for smooth and strongly convex Brenier potentials. As an application of our results, we derive a central limit theorem for a density plugin estimator of the squared Wasserstein distance, which is centered at its population counterpart when the underlying distributions have sufficiently smooth densities. In contrast to known central limit theorems for empirical estimators, this result easily lends itself to statistical inference for Wasserstein distances.