Wasserstein Barycenter is a principled approach to represent the weighted mean of a given set of probability distributions, utilizing the geometry induced by optimal transport. In this work, we present a novel scalable algorithm to approximate the Wasserstein Barycenters aiming at high-dimensional applications in machine learning. Our proposed algorithm is based on the Kantorovich dual formulation of the Wasserstein-2 distance as well as a recent neural network architecture, input convex neural network, that is known to parametrize convex functions. The distinguishing features of our method are: i) it only requires samples from the marginal distributions; ii) unlike the existing approaches, it represents the Barycenter with a generative model and can thus generate infinite samples from the barycenter without querying the marginal distributions; iii) it works similar to Generative Adversarial Model in one marginal case. We demonstrate the efficacy of our algorithm by comparing it with the state-of-art methods in multiple experiments.
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神經網絡（Neural Networks）是世界上三個最古老的神經建模學會的檔案期刊:國際神經網絡學會(INNS)、歐洲神經網絡學會(ENNS)和日本神經網絡學會(JNNS)。神經網絡提供了一個論壇，以發展和培育一個國際社會的學者和實踐者感興趣的所有方面的神經網絡和相關方法的計算智能。神經網絡歡迎高質量論文的提交，有助于全面的神經網絡研究，從行為和大腦建模，學習算法，通過數學和計算分析，系統的工程和技術應用，大量使用神經網絡的概念和技術。這一獨特而廣泛的范圍促進了生物和技術研究之間的思想交流，并有助于促進對生物啟發的計算智能感興趣的跨學科社區的發展。因此，神經網絡編委會代表的專家領域包括心理學，神經生物學，計算機科學，工程，數學，物理。該雜志發表文章、信件和評論以及給編輯的信件、社論、時事、軟件調查和專利信息。文章發表在五個部分之一:認知科學，神經科學，學習系統，數學和計算分析、工程和應用。
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This paper studies the problem of computing a linear approximation of quadratic Wasserstein distance $W_2$. In particular, we compute an approximation of the negative homogeneous weighted Sobolev norm whose connection to Wasserstein distance follows from a classic linearization of a general Monge-Amp\'ere equation. Our contribution is threefold. First, we provide expository material on this classic linearization of Wasserstein distance including a quantitative error estimate. econd, we reduce the computational problem to solving a elliptic boundary value problem involving the Witten Laplacian, which is a Schr\"odinger operator of the form $H = -\Delta + V$, and describe an associated embedding. Third, for the case of probability distributions on the unit square $[0,1]^2$ represented by $n \times n$ arrays we present a fast code demonstrating our approach. Several numerical examples are presented.
Wasserstein gradient flow has emerged as a promising approach to solve optimization problems over the space of probability distributions. A recent trend is to use the well-known JKO scheme in combination with input convex neural networks to numerically implement the proximal step. The most challenging step, in this setup, is to evaluate functions involving density explicitly, such as entropy, in terms of samples. This paper builds on the recent works with a slight but crucial difference: we propose to utilize a variational formulation of the objective function formulated as maximization over a parametric class of functions. Theoretically, the proposed variational formulation allows the construction of gradient flows directly for empirical distributions with a well-defined and meaningful objective function. Computationally, this approach replaces the computationally expensive step in existing methods, to handle objective functions involving density, with inner loop updates that only require a small batch of samples and scale well with the dimension. The performance and scalability of the proposed method are illustrated with the aid of several numerical experiments involving high-dimensional synthetic and real datasets.
Wasserstein barycenters have become popular due to their ability to represent the average of probability measures in a geometrically meaningful way. In this paper, we present an algorithm to approximate the Wasserstein-2 barycenters of continuous measures via a generative model. Previous approaches rely on regularization (entropic/quadratic) which introduces bias or on input convex neural networks which are not expressive enough for large-scale tasks. In contrast, our algorithm does not introduce bias and allows using arbitrary neural networks. In addition, based on the celebrity faces dataset, we construct Ave, celeba! dataset which can be used for quantitative evaluation of barycenter algorithms by using standard metrics of generative models such as FID.
Minimizing functionals in the space of probability distributions can be done with Wasserstein gradient flows. To solve them numerically, a possible approach is to rely on the Jordan-Kinderlehrer-Otto (JKO) scheme which is analogous to the proximal scheme in Euclidean spaces. However, it requires solving a nested optimization problem at each iteration, and is known for its computational challenges, especially in high dimension. To alleviate it, very recent works propose to approximate the JKO scheme leveraging Brenier's theorem, and using gradients of Input Convex Neural Networks to parameterize the density (JKO-ICNN). However, this method comes with a high computational cost and stability issues. Instead, this work proposes to use gradient flows in the space of probability measures endowed with the sliced-Wasserstein (SW) distance. We argue that this method is more flexible than JKO-ICNN, since SW enjoys a closed-form differentiable approximation. Thus, the density at each step can be parameterized by any generative model which alleviates the computational burden and makes it tractable in higher dimensions.
Much of computer-generated animation is created by manipulating meshes with rigs. While this approach works well for animating articulated objects like animals, it has limited flexibility for animating less structured creatures such as the Drunn in "Raya and the Last Dragon." We introduce Wassersplines, a novel trajectory inference method for animating unstructured densities based on recent advances in continuous normalizing flows and optimal transport. The key idea is to train a neurally-parameterized velocity field that represents the motion between keyframes. Trajectories are then computed by pushing keyframes through the velocity field. We solve an additional Wasserstein barycenter interpolation problem to guarantee strict adherence to keyframes. Our tool can stylize trajectories through a variety of PDE-based regularizers to create different visual effects. We demonstrate our tool on various keyframe interpolation problems to produce temporally-coherent animations without meshing or rigging.
Graph representation learning has recently been applied to a broad spectrum of problems ranging from computer graphics and chemistry to high energy physics and social media. The popularity of graph neural networks has sparked interest, both in academia and in industry, in developing methods that scale to very large graphs such as Facebook or Twitter social networks. In most of these approaches, the computational cost is alleviated by a sampling strategy retaining a subset of node neighbors or subgraphs at training time. In this paper we propose a new, efficient and scalable graph deep learning architecture which sidesteps the need for graph sampling by using graph convolutional filters of different size that are amenable to efficient precomputation, allowing extremely fast training and inference. Our architecture allows using different local graph operators (e.g. motif-induced adjacency matrices or Personalized Page Rank diffusion matrix) to best suit the task at hand. We conduct extensive experimental evaluation on various open benchmarks and show that our approach is competitive with other state-of-the-art architectures, while requiring a fraction of the training and inference time.
This paper addresses the problem of formally verifying desirable properties of neural networks, i.e., obtaining provable guarantees that neural networks satisfy specifications relating their inputs and outputs (robustness to bounded norm adversarial perturbations, for example). Most previous work on this topic was limited in its applicability by the size of the network, network architecture and the complexity of properties to be verified. In contrast, our framework applies to a general class of activation functions and specifications on neural network inputs and outputs. We formulate verification as an optimization problem (seeking to find the largest violation of the specification) and solve a Lagrangian relaxation of the optimization problem to obtain an upper bound on the worst case violation of the specification being verified. Our approach is anytime i.e. it can be stopped at any time and a valid bound on the maximum violation can be obtained. We develop specialized verification algorithms with provable tightness guarantees under special assumptions and demonstrate the practical significance of our general verification approach on a variety of verification tasks.
Recently, generative adversarial networks (GANs) have shown promising performance in generating realistic images. However, they often struggle in learning complex underlying modalities in a given dataset, resulting in poor-quality generated images. To mitigate this problem, we present a novel approach called mixture of experts GAN (MEGAN), an ensemble approach of multiple generator networks. Each generator network in MEGAN specializes in generating images with a particular subset of modalities, e.g., an image class. Instead of incorporating a separate step of handcrafted clustering of multiple modalities, our proposed model is trained through an end-to-end learning of multiple generators via gating networks, which is responsible for choosing the appropriate generator network for a given condition. We adopt the categorical reparameterization trick for a categorical decision to be made in selecting a generator while maintaining the flow of the gradients. We demonstrate that individual generators learn different and salient subparts of the data and achieve a multiscale structural similarity (MS-SSIM) score of 0.2470 for CelebA and a competitive unsupervised inception score of 8.33 in CIFAR-10.
Methods that learn representations of nodes in a graph play a critical role in network analysis since they enable many downstream learning tasks. We propose Graph2Gauss - an approach that can efficiently learn versatile node embeddings on large scale (attributed) graphs that show strong performance on tasks such as link prediction and node classification. Unlike most approaches that represent nodes as point vectors in a low-dimensional continuous space, we embed each node as a Gaussian distribution, allowing us to capture uncertainty about the representation. Furthermore, we propose an unsupervised method that handles inductive learning scenarios and is applicable to different types of graphs: plain/attributed, directed/undirected. By leveraging both the network structure and the associated node attributes, we are able to generalize to unseen nodes without additional training. To learn the embeddings we adopt a personalized ranking formulation w.r.t. the node distances that exploits the natural ordering of the nodes imposed by the network structure. Experiments on real world networks demonstrate the high performance of our approach, outperforming state-of-the-art network embedding methods on several different tasks. Additionally, we demonstrate the benefits of modeling uncertainty - by analyzing it we can estimate neighborhood diversity and detect the intrinsic latent dimensionality of a graph.
We introduce a new neural architecture to learn the conditional probability of an output sequence with elements that are discrete tokens corresponding to positions in an input sequence. Such problems cannot be trivially addressed by existent approaches such as sequence-to-sequence and Neural Turing Machines, because the number of target classes in each step of the output depends on the length of the input, which is variable. Problems such as sorting variable sized sequences, and various combinatorial optimization problems belong to this class. Our model solves the problem of variable size output dictionaries using a recently proposed mechanism of neural attention. It differs from the previous attention attempts in that, instead of using attention to blend hidden units of an encoder to a context vector at each decoder step, it uses attention as a pointer to select a member of the input sequence as the output. We call this architecture a Pointer Net (Ptr-Net). We show Ptr-Nets can be used to learn approximate solutions to three challenging geometric problems -- finding planar convex hulls, computing Delaunay triangulations, and the planar Travelling Salesman Problem -- using training examples alone. Ptr-Nets not only improve over sequence-to-sequence with input attention, but also allow us to generalize to variable size output dictionaries. We show that the learnt models generalize beyond the maximum lengths they were trained on. We hope our results on these tasks will encourage a broader exploration of neural learning for discrete problems.
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