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Register a new userProbabilistic Optimal Transport based on Collective Graphical Models
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Optimal Transport (OT) is being widely used in various fields such as machine learning and computer vision, as it is a powerful tool for measuring the similarity between probability distributions and histograms. In previous studies, OT has been defined as the minimum cost to transport probability mass from one probability distribution to another. In this study, we propose a new framework in which OT is considered as a maximum a posteriori (MAP) solution of a probabilistic generative model. With the proposed framework, we show that OT with entropic regularization is equivalent to maximizing a posterior probability of a probabilistic model called Collective Graphical Model (CGM), which describes aggregated statistics of multiple samples generated from a graphical model. Interpreting OT as a MAP solution of a CGM has the following two advantages: (i) We can calculate the discrepancy between noisy histograms by modeling noise distributions. Since various distributions can be used for noise modeling, it is possible to select the noise distribution flexibly to suit the situation. (ii) We can construct a new method for interpolation between histograms, which is an important application of OT. The proposed method allows for intuitive modeling based on the probabilistic interpretations, and a simple and efficient estimation algorithm is available. Experiments using synthetic and real-world spatio-temporal population datasets show the effectiveness of the proposed interpolation method.
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We investigate a correspondence between two formalisms for discrete probabilistic modeling: probabilistic graphical models (PGMs) and tensor networks (TNs), a powerful modeling framework for simulating complex quantum systems. The graphical calculus of PGMs and TNs exhibits many similarities, with discrete undirected graphical models (UGMs) being a special case of TNs. However, more general probabilistic TN models such as Born machines (BMs) employ complex-valued hidden states to produce novel forms of correlation among the probabilities. While representing a new modeling resource for capturing structure in discrete probability distributions, this behavior also renders the direct application of standard PGM tools impossible. We aim to bridge this gap by introducing a hybrid PGM-TN formalism that integrates quantum-like correlations into PGM models in a principled manner, using the physically-motivated concept of decoherence. We first prove that applying decoherence to the entirety of a BM model converts it into a discrete UGM, and conversely, that any subgraph of a discrete UGM can be represented as a decohered BM. This method allows a broad family of probabilistic TN models to be encoded as partially decohered BMs, a fact we leverage to combine the representational strengths of both model families. We experimentally verify the performance of such hybrid models in a sequential modeling task, and identify promising uses of our method within the context of existing applications of graphical models.
The importance of aggregated count data, which is calculated from the data of multiple individuals, continues to increase. Collective Graphical Model (CGM) is a probabilistic approach to the analysis of aggregated data. One of the most important operations in CGM is maximum a posteriori (MAP) inference of unobserved variables under given observations. Because the MAP inference problem for general CGMs has been shown to be NP-hard, an approach that solves an approximate problem has been proposed. However, this approach has two major drawbacks. First, the quality of the solution deteriorates when the values in the count tables are small, because the approximation becomes inaccurate. Second, since continuous relaxation is applied, the integrality constraints of the output are violated. To resolve these problems, this paper proposes a new method for MAP inference for CGMs on path graphs. First we show that the MAP inference problem can be formulated as a (non-linear) minimum cost flow problem. Then, we apply Difference of Convex Algorithm (DCA), which is a general methodology to minimize a function represented as the sum of a convex function and a concave function. In our algorithm, important subroutines in DCA can be efficiently calculated by minimum convex cost flow algorithms. Experiments show that the proposed method outputs higher quality solutions than the conventional approach.
Probabilistic graphical models, such as Markov random fields (MRF), exploit dependencies among random variables to model a rich family of joint probability distributions. Sophisticated inference algorithms, such as belief propagation (BP), can effectively compute the marginal posteriors. Nonetheless, it is still difficult to interpret the inference outcomes for important human decision making. There is no existing method to rigorously attribute the inference outcomes to the contributing factors of the graphical models. Shapley values provide an axiomatic framework, but naively computing or even approximating the values on general graphical models is challenging and less studied. We propose GraphShapley to integrate the decomposability of Shapley values, the structure of MRFs, and the iterative nature of BP inference in a principled way for fast Shapley value computation, that 1) systematically enumerates the important contributions to the Shapley values of the explaining variables without duplicate; 2) incrementally compute the contributions without starting from scratches. We theoretically characterize GraphShapley regarding independence, equal contribution, and additivity. On nine graphs, we demonstrate that GraphShapley provides sensible and practical explanations.
Optimal transport aims to estimate a transportation plan that minimizes a displacement cost. This is realized by optimizing the scalar product between the sought plan and the given cost, over the space of doubly stochastic matrices. When the entropy regularization is added to the problem, the transportation plan can be efficiently computed with the Sinkhorn algorithm. Thanks to this breakthrough, optimal transport has been progressively extended to machine learning and statistical inference by introducing additional application-specific terms in the problem formulation. It is however challenging to design efficient optimization algorithms for optimal transport based extensions. To overcome this limitation, we devise a general forward-backward splitting algorithm based on Bregman distances for solving a wide range of optimization problems involving a differentiable function with Lipschitz-continuous gradient and a doubly stochastic constraint. We illustrate the efficiency of our approach in the context of continuous domain adaptation. Experiments show that the proposed method leads to a significant improvement in terms of speed and performance with respect to the state of the art for domain adaptation on a continually rotating distribution coming from the standard two moon dataset.
Mini-batch optimal transport (m-OT) has been successfully used in practical applications that involve probability measures with intractable density, or probability measures with a very high number of supports. The m-OT solves several sparser optimal transport problems and then returns the average of their costs and transportation plans. Despite its scalability advantage, the m-OT does not consider the relationship between mini-batches which leads to undesirable estimation. Moreover, the m-OT does not approximate a proper metric between probability measures since the identity property is not satisfied. To address these problems, we propose a novel mini-batching scheme for optimal transport, named Batch of Mini-batches Optimal Transport (BoMb-OT), that finds the optimal coupling between mini-batches and it can be seen as an approximation to a well-defined distance on the space of probability measures. Furthermore, we show that the m-OT is a limit of the entropic regularized version of the BoMb-OT when the regularized parameter goes to infinity. Finally, we carry out extensive experiments to show that the BoMb-OT can estimate a better transportation plan between two original measures than the m-OT. It leads to a favorable performance of the BoMb-OT in the matching and color transfer tasks. Furthermore, we observe that the BoMb-OT also provides a better objective loss than the m-OT for doing approximate Bayesian computation, estimating parameters of interest in parametric generative models, and learning non-parametric generative models with gradient flow.
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