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Optimal transport (OT) has seen its popularity in various fields of applications. We start by observing that the OT problem can be viewed as an instance of a general symmetric positive definite (SPD) matrix-valued OT problem, where the cost, the marginals, and the coupling are represented as block matrices and each component block is a SPD matrix. The summation of row blocks and column blocks in the coupling matrix are constrained by the given block-SPD marginals. We endow the set of such block-coupling matrices with a novel Riemannian manifold structure. This allows to exploit the versatile Riemannian optimization framework to solve generic SPD matrix-valued OT problems. We illustrate the usefulness of the proposed approach in several applications.

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Due to the high human cost of annotation, it is non-trivial to curate a large-scale medical dataset that is fully labeled for all classes of interest. Instead, it would be convenient to collect multiple small partially labeled datasets from different matching sources, where the medical images may have only been annotated for a subset of classes of interest. This paper offers an empirical understanding of an under-explored problem, namely partially supervised multi-label classification (PSMLC), where a multi-label classifier is trained with only partially labeled medical images. In contrast to the fully supervised counterpart, the partial supervision caused by medical data scarcity has non-trivial negative impacts on the model performance. A potential remedy could be augmenting the partial labels. Though vicinal risk minimization (VRM) has been a promising solution to improve the generalization ability of the model, its application to PSMLC remains an open question. To bridge the methodological gap, we provide the first VRM-based solution to PSMLC. The empirical results also provide insights into future research directions on partially supervised learning under data scarcity.

In this paper we get error bounds for fully discrete approximations of infinite horizon problems via the dynamic programming approach. It is well known that considering a time discretization with a positive step size $h$ an error bound of size $h$ can be proved for the difference between the value function (viscosity solution of the Hamilton-Jacobi-Bellman equation corresponding to the infinite horizon) and the value function of the discrete time problem. However, including also a spatial discretization based on elements of size $k$ an error bound of size $O(k/h)$ can be found in the literature for the error between the value functions of the continuous problem and the fully discrete problem. In this paper we revise the error bound of the fully discrete method and prove, under similar assumptions to those of the time discrete case, that the error of the fully discrete case is in fact $O(h+k)$ which gives first order in time and space for the method. This error bound matches the numerical experiments of many papers in the literature in which the behaviour $1/h$ from the bound $O(k/h)$ have not been observed.

Recruitment in large organisations often involves interviewing a large number of candidates. The process is resource intensive and complex. Therefore, it is important to carry it out efficiently and effectively. Planning the selection process consists of several problems, each of which maps to one or the other well-known computing problem. Research that looks at each of these problems in isolation is rich and mature. However, research that takes an integrated view of the problem is not common. In this paper, we take two of the most important aspects of the application processing problem, namely review/interview panel creation and interview scheduling. We have implemented our approach as a prototype system and have used it to automatically plan the interview process of a real-life data set. Our system provides a distinctly better plan than the existing practice, which is predominantly manual. We have explored various algorithmic options and have customised them to solve these panel creation and interview scheduling problems. We have evaluated these design options experimentally on a real data set and have presented our observations. Our prototype and experimental process and results may be a very good starting point for a full-fledged development project for automating application processing process.

We extend the Deep Galerkin Method (DGM) introduced in Sirignano and Spiliopoulos (2018)} to solve a number of partial differential equations (PDEs) that arise in the context of optimal stochastic control and mean field games. First, we consider PDEs where the function is constrained to be positive and integrate to unity, as is the case with Fokker-Planck equations. Our approach involves reparameterizing the solution as the exponential of a neural network appropriately normalized to ensure both requirements are satisfied. This then gives rise to nonlinear a partial integro-differential equation (PIDE) where the integral appearing in the equation is handled by a novel application of importance sampling. Secondly, we tackle a number of Hamilton-Jacobi-Bellman (HJB) equations that appear in stochastic optimal control problems. The key contribution is that these equations are approached in their unsimplified primal form which includes an optimization problem as part of the equation. We extend the DGM algorithm to solve for the value function and the optimal control \simultaneously by characterizing both as deep neural networks. Training the networks is performed by taking alternating stochastic gradient descent steps for the two functions, a technique inspired by the policy improvement algorithms (PIA).

Covariance estimation for matrix-valued data has received an increasing interest in applications. Unlike previous works that rely heavily on matrix normal distribution assumption and the requirement of fixed matrix size, we propose a class of distribution-free regularized covariance estimation methods for high-dimensional matrix data under a separability condition and a bandable covariance structure. Under these conditions, the original covariance matrix is decomposed into a Kronecker product of two bandable small covariance matrices representing the variability over row and column directions. We formulate a unified framework for estimating bandable covariance, and introduce an efficient algorithm based on rank one unconstrained Kronecker product approximation. The convergence rates of the proposed estimators are established, and the derived minimax lower bound shows our proposed estimator is rate-optimal under certain divergence regimes of matrix size. We further introduce a class of robust covariance estimators and provide theoretical guarantees to deal with heavy-tailed data. We demonstrate the superior finite-sample performance of our methods using simulations and real applications from a gridded temperature anomalies dataset and a S&P 500 stock data analysis.

This paper addresses the numerical solution of nonlinear eigenvector problems such as the Gross-Pitaevskii and Kohn-Sham equation arising in computational physics and chemistry. These problems characterize critical points of energy minimization problems on the infinite-dimensional Stiefel manifold. To efficiently compute minimizers, we propose a novel Riemannian gradient descent method induced by an energy-adaptive metric. Quantified convergence of the methods is established under suitable assumptions on the underlying problem. A non-monotone line search and the inexact evaluation of Riemannian gradients substantially improve the overall efficiency of the method. Numerical experiments illustrate the performance of the method and demonstrates its competitiveness with well-established schemes.

We consider smooth optimization problems with a Hermitian positive semi-definite fixed-rank constraint, where a quotient geometry with three Riemannian metrics $g^i(\cdot, \cdot)$ $(i=1,2,3)$ is used to represent this constraint. By taking the nonlinear conjugate gradient method (CG) as an example, we show that CG on the quotient geometry with metric $g^1$ is equivalent to CG on the factor-based optimization framework, which is often called the Burer--Monteiro approach. We also show that CG on the quotient geometry with metric $g^3$ is equivalent to CG on the commonly-used embedded geometry. We call two CG methods equivalent if they produce an identical sequence of iterates $\{X_k\}$. In addition, we show that if the limit point of the sequence $\{X_k\}$ generated by an algorithm has lower rank, that is $X_k\in \mathbb C^{n\times n}, k = 1, 2, \ldots$ has rank $p$ and the limit point $X_*$ has rank $r < p$, then the condition number of the Riemannian Hessian with metric $g^1$ can be unbounded, but those of the other two metrics stay bounded. Numerical experiments show that the Burer--Monteiro CG method has slower local convergence rate if the limit point has a reduced rank, compared to CG on the quotient geometry under the other two metrics. This slower convergence rate can thus be attributed to the large condition number of the Hessian near a minimizer.

The stochastic gradient Langevin Dynamics is one of the most fundamental algorithms to solve sampling problems and non-convex optimization appearing in several machine learning applications. Especially, its variance reduced versions have nowadays gained particular attention. In this paper, we study two variants of this kind, namely, the Stochastic Variance Reduced Gradient Langevin Dynamics and the Stochastic Recursive Gradient Langevin Dynamics. We prove their convergence to the objective distribution in terms of KL-divergence under the sole assumptions of smoothness and Log-Sobolev inequality which are weaker conditions than those used in prior works for these algorithms. With the batch size and the inner loop length set to $\sqrt{n}$, the gradient complexity to achieve an $\epsilon$-precision is $\tilde{O}((n+dn^{1/2}\epsilon^{-1})\gamma^2 L^2\alpha^{-2})$, which is an improvement from any previous analyses. We also show some essential applications of our result to non-convex optimization.

We provide a new analysis of local SGD, removing unnecessary assumptions and elaborating on the difference between two data regimes: identical and heterogeneous. In both cases, we improve the existing theory and provide values of the optimal stepsize and optimal number of local iterations. Our bounds are based on a new notion of variance that is specific to local SGD methods with different data. The tightness of our results is guaranteed by recovering known statements when we plug $H=1$, where $H$ is the number of local steps. The empirical evidence further validates the severe impact of data heterogeneity on the performance of local SGD.

Underlying computational model has an important role in any computation. The state and transition (such as in automata) and rule and value (such as in Lisp and logic programming) are two comparable and counterpart computational models. Both of deductive and model checking verification techniques are relying on a notion of state and as a result, their underlying computational models are state dependent. Some verification problems (such as compliance checking by which an under compliance system is verified against some regulations and rules) have not a strong notion of state nor transition. Behalf of it, these systems have a strong notion of value symbols and declarative rules defined on them. SARV (Stateless And Rule-Based Verification) is a verification framework that designed to simplify the overall process of verification for stateless and rule-based verification problems (e.g. compliance checking). In this paper, a formal logic-based framework for creating intelligent compliance checking systems is presented. We define and introduce this framework, report a case study and present results of an experiment on it. The case study is about protocol compliance checking for smart cities. Using this solution, a Rescue Scenario use case and its compliance checking are sketched and modeled. An automation engine for and a compliance solution with SARV are introduced. Based on 300 data experiments, the SARV-based compliance solution outperforms famous machine learning methods on a 3125-records software quality dataset.

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