Anton Mallasto

Quentin Bouniot, Ievgen Redko, Anton Mallasto et al.

In the last decade, we have witnessed the introduction of several novel deep neural network (DNN) architectures exhibiting ever-increasing performance across diverse tasks. Explaining the upward trend of their performance, however, remains difficult as different DNN architectures of comparable depth and width -- common factors associated with their expressive power -- may exhibit a drastically different performance even when trained on the same dataset. In this paper, we introduce the concept of the non-linearity signature of DNN, the first theoretically sound solution for approximately measuring the non-linearity of deep neural networks. Built upon a score derived from closed-form optimal transport mappings, this signature provides a better understanding of the inner workings of a wide range of DNN architectures and learning paradigms, with a particular emphasis on the computer vision task. We provide extensive experimental results that highlight the practical usefulness of the proposed non-linearity signature and its potential for long-reaching implications. The code for our work is available at https://github.com/qbouniot/AffScoreDeep

Oliver Struckmeier, Ievgen Redko, Anton Mallasto et al.

Optimal transport (OT) is a powerful geometric tool used to compare and align probability measures following the least effort principle. Despite its widespread use in machine learning (ML), OT problem still bears its computational burden, while at the same time suffering from the curse of dimensionality for measures supported on general high-dimensional spaces. In this paper, we propose to tackle these challenges using representation learning. In particular, we seek to learn an embedding space such that the samples of the two input measures become alignable in it with a simple affine mapping that can be calculated efficiently in closed-form. We then show that such approach leads to results that are comparable to solving the original OT problem when applied to the transfer learning task on which many OT baselines where previously evaluated in both homogeneous and heterogeneous DA settings. The code for our contribution is available at \url{https://github.com/Oleffa/LaOT}.

Anton Mallasto, Karol Arndt, Markus Heinonen et al.

Sample-efficient domain adaptation is an open problem in robotics. In this paper, we present affine transport -- a variant of optimal transport, which models the mapping between state transition distributions between the source and target domains with an affine transformation. First, we derive the affine transport framework; then, we extend the basic framework with Procrustes alignment to model arbitrary affine transformations. We evaluate the method in a number of OpenAI Gym sim-to-sim experiments with simulation environments, as well as on a sim-to-real domain adaptation task of a robot hitting a hockeypuck such that it slides and stops at a target position. In each experiment, we evaluate the results when transferring between each pair of dynamics domains. The results show that affine transport can significantly reduce the model adaptation error in comparison to using the original, non-adapted dynamics model.

Anton Mallasto

\emph{Optimal Transport} (OT) has emerged as an important computational tool in machine learning and computer vision, providing a geometrical framework for studying probability measures. OT unfortunately suffers from the curse of dimensionality and requires regularization for practical computations, of which the \emph{entropic regularization} is a popular choice, which can be 'unbiased', resulting in a \emph{Sinkhorn divergence}. In this work, we study the convergence of estimating the 2-Sinkhorn divergence between \emph{Gaussian processes} (GPs) using their finite-dimensional marginal distributions. We show almost sure convergence of the divergence when the marginals are sampled according to some base measure. Furthermore, we show that using $n$ marginals the estimation error of the divergence scales in a dimension-free way as $\mathcal{O}\left(ε^ {-1}n^{-\frac{1}{2}}\right)$, where $ε$ is the magnitude of entropic regularization.

Anton Mallasto, Markus Heinonen, Samuel Kaski

In machine learning and computer vision, optimal transport has had significant success in learning generative models and defining metric distances between structured and stochastic data objects, that can be cast as probability measures. The key element of optimal transport is the so called lifting of an \emph{exact} cost (distance) function, defined on the sample space, to a cost (distance) between probability measures over the sample space. However, in many real life applications the cost is \emph{stochastic}: e.g., the unpredictable traffic flow affects the cost of transportation between a factory and an outlet. To take this stochasticity into account, we introduce a Bayesian framework for inferring the optimal transport plan distribution induced by the stochastic cost, allowing for a principled way to include prior information and to model the induced stochasticity on the transport plans. Additionally, we tailor an HMC method to sample from the resulting transport plan posterior distribution.

Anton Mallasto, Augusto Gerolin, Hà Quang Minh

Gaussian distributions are plentiful in applications dealing in uncertainty quantification and diffusivity. They furthermore stand as important special cases for frameworks providing geometries for probability measures, as the resulting geometry on Gaussians is often expressible in closed-form under the frameworks. In this work, we study the Gaussian geometry under the entropy-regularized 2-Wasserstein distance, by providing closed-form solutions for the distance and interpolations between elements. Furthermore, we provide a fixed-point characterization of a population barycenter when restricted to the manifold of Gaussians, which allows computations through the fixed-point iteration algorithm. As a consequence, the results yield closed-form expressions for the 2-Sinkhorn divergence. As the geometries change by varying the regularization magnitude, we study the limiting cases of vanishing and infinite magnitudes, reconfirming well-known results on the limits of the Sinkhorn divergence. Finally, we illustrate the resulting geometries with a numerical study.

Anton Mallasto, Guido Montúfar, Augusto Gerolin

Generative modelling is often cast as minimizing a similarity measure between a data distribution and a model distribution. Recently, a popular choice for the similarity measure has been the Wasserstein metric, which can be expressed in the Kantorovich duality formulation as the optimum difference of the expected values of a potential function under the real data distribution and the model hypothesis. In practice, the potential is approximated with a neural network and is called the discriminator. Duality constraints on the function class of the discriminator are enforced approximately, and the expectations are estimated from samples. This gives at least three sources of errors: the approximated discriminator and constraints, the estimation of the expectation value, and the optimization required to find the optimal potential. In this work, we study how well the methods, that are used in generative adversarial networks to approximate the Wasserstein metric, perform. We consider, in particular, the $c$-transform formulation, which eliminates the need to enforce the constraints explicitly. We demonstrate that the $c$-transform allows for a more accurate estimation of the true Wasserstein metric from samples, but surprisingly, does not perform the best in the generative setting.

Anton Mallasto, Tom Dela Haije, Aasa Feragen

In optimization, the natural gradient method is well-known for likelihood maximization. The method uses the Kullback-Leibler divergence, corresponding infinitesimally to the Fisher-Rao metric, which is pulled back to the parameter space of a family of probability distributions. This way, gradients with respect to the parameters respect the Fisher-Rao geometry of the space of distributions, which might differ vastly from the standard Euclidean geometry of the parameter space, often leading to faster convergence. However, when minimizing an arbitrary similarity measure between distributions, it is generally unclear which metric to use. We provide a general framework that, given a similarity measure, derives a metric for the natural gradient. We then discuss connections between the natural gradient method and multiple other optimization techniques in the literature. Finally, we provide computations of the formal natural gradient to show overlap with well-known cases and to compute natural gradients in novel frameworks.

Anton Mallasto, Jes Frellsen, Wouter Boomsma et al.

Generative Adversial Networks (GANs) have made a major impact in computer vision and machine learning as generative models. Wasserstein GANs (WGANs) brought Optimal Transport (OT) theory into GANs, by minimizing the $1$-Wasserstein distance between model and data distributions as their objective function. Since then, WGANs have gained considerable interest due to their stability and theoretical framework. We contribute to the WGAN literature by introducing the family of $(q,p)$-Wasserstein GANs, which allow the use of more general $p$-Wasserstein metrics for $p\geq 1$ in the GAN learning procedure. While the method is able to incorporate any cost function as the ground metric, we focus on studying the $l^q$ metrics for $q\geq 1$. This is a notable generalization as in the WGAN literature the OT distances are commonly based on the $l^2$ ground metric. We demonstrate the effect of different $p$-Wasserstein distances in two toy examples. Furthermore, we show that the ground metric does make a difference, by comparing different $(q,p)$ pairs on the MNIST and CIFAR-10 datasets. Our experiments demonstrate that changing the ground metric and $p$ can notably improve on the common $(q,p) = (2,1)$ case.

Anton Mallasto, Søren Hauberg, Aasa Feragen

Latent variable models (LVMs) learn probabilistic models of data manifolds lying in an \emph{ambient} Euclidean space. In a number of applications, a priori known spatial constraints can shrink the ambient space into a considerably smaller manifold. Additionally, in these applications the Euclidean geometry might induce a suboptimal similarity measure, which could be improved by choosing a different metric. Euclidean models ignore such information and assign probability mass to data points that can never appear as data, and vastly different likelihoods to points that are similar under the desired metric. We propose the wrapped Gaussian process latent variable model (WGPLVM), that extends Gaussian process latent variable models to take values strictly on a given ambient Riemannian manifold, making the model blind to impossible data points. This allows non-linear, probabilistic inference of low-dimensional Riemannian submanifolds from data. Our evaluation on diverse datasets show that we improve performance on several tasks, including encoding, visualization and uncertainty quantification.