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Knowledge gradient is a design principle for developing Bayesian sequential sampling policies to solve optimization problems. In this paper we consider the ranking and selection problem in the presence of covariates, where the best alternative is not universal but depends on the covariates. In this context, we prove that under minimal assumptions, the sampling policy based on knowledge gradient is consistent, in the sense that following the policy the best alternative as a function of the covariates will be identified almost surely as the number of samples grows. We also propose a stochastic gradient ascent algorithm for computing the sampling policy and demonstrate its performance via numerical experiments.

In this paper, we consider the widely used but not fully understood stochastic estimator based on moving average (SEMA), which only requires {\bf a general unbiased stochastic oracle}. We demonstrate the power of SEMA on a range of stochastic non-convex optimization problems. In particular, we analyze various stochastic methods (existing or newly proposed) based on the {\bf variance recursion property} of SEMA for three families of non-convex optimization, namely standard stochastic non-convex minimization, stochastic non-convex strongly-concave min-max optimization, and stochastic bilevel optimization. Our contributions include: (i) for standard stochastic non-convex minimization, we present a simple and intuitive proof of convergence for a family of Adam-style methods (including Adam, AMSGrad, AdaBound, etc.) with an increasing or large "momentum" parameter for the first-order moment, which gives an alternative yet more natural way to guarantee Adam converge; (ii) for stochastic non-convex strongly-concave min-max optimization, we present a single-loop primal-dual stochastic momentum and adaptive methods based on the moving average estimators and establish its oracle complexity of $O(1/\epsilon^4)$ without using a large mini-batch size, addressing a gap in the literature; (iii) for stochastic bilevel optimization, we present a single-loop stochastic method based on the moving average estimators and establish its oracle complexity of $\widetilde O(1/\epsilon^4)$ without computing the SVD of the Hessian matrix, improving state-of-the-art results. For all these problems, we also establish a variance diminishing result for the used stochastic gradient estimators.

Network-based clustering methods frequently require the number of communities to be specified \emph{a priori}. Moreover, most of the existing methods for estimating the number of communities assume the number of communities to be fixed and not scale with the network size $n$. The few methods that assume the number of communities to increase with the network size $n$ are only valid when the average degree $d$ of a network grows at least as fast as $O(n)$ (i.e., the dense case) or lies within a narrow range. This presents a challenge in clustering large-scale network data, particularly when the average degree $d$ of a network grows slower than the rate of $O(n)$ (i.e., the sparse case). To address this problem, we proposed a new sequential procedure utilizing multiple hypothesis tests and the spectral properties of Erd\"{o}s R\'{e}nyi graphs for estimating the number of communities in sparse stochastic block models (SBMs). We prove the consistency of our method for sparse SBMs for a broad range of the sparsity parameter. As a consequence, we discover that our method can estimate the number of communities $K^{(n)}_{\star}$ with $K^{(n)}_{\star}$ increasing at the rate as high as $O(n^{(1 - 3\gamma)/(4 - 3\gamma)})$, where $d = O(n^{1 - \gamma})$. Moreover, we show that our method can be adapted as a stopping rule in estimating the number of communities in binary tree stochastic block models. We benchmark the performance of our method against other competing methods on six reference single-cell RNA sequencing datasets. Finally, we demonstrate the usefulness of our method through numerical simulations and by using it for clustering real single-cell RNA-sequencing datasets.

Transformers are state-of-the-art in a wide range of NLP tasks and have also been applied to many real-world products. Understanding the reliability and certainty of transformer model predictions is crucial for building trustable machine learning applications, e.g., medical diagnosis. Although many recent transformer extensions have been proposed, the study of the uncertainty estimation of transformer models is under-explored. In this work, we propose a novel way to enable transformers to have the capability of uncertainty estimation and, meanwhile, retain the original predictive performance. This is achieved by learning a hierarchical stochastic self-attention that attends to values and a set of learnable centroids, respectively. Then new attention heads are formed with a mixture of sampled centroids using the Gumbel-Softmax trick. We theoretically show that the self-attention approximation by sampling from a Gumbel distribution is upper bounded. We empirically evaluate our model on two text classification tasks with both in-domain (ID) and out-of-domain (OOD) datasets. The experimental results demonstrate that our approach: (1) achieves the best predictive performance and uncertainty trade-off among compared methods; (2) exhibits very competitive (in most cases, improved) predictive performance on ID datasets; (3) is on par with Monte Carlo dropout and ensemble methods in uncertainty estimation on OOD datasets.

In warehouses, order picking is known to be the most labor-intensive and costly task in which the employees account for a large part of the warehouse performance. Hence, many approaches exist, that optimize the order picking process based on diverse economic criteria. However, most of these approaches focus on a single economic objective at once and disregard ergonomic criteria in their optimization. Further, the influence of the placement of the items to be picked is underestimated and accordingly, too little attention is paid to the interdependence of these two problems. In this work, we aim at optimizing the storage assignment and the order picking problem within mezzanine warehouse with regards to their reciprocal influence. We propose a customized version of the Non-dominated Sorting Genetic Algorithm II (NSGA-II) for optimizing the storage assignment problem as well as an Ant Colony Optimization (ACO) algorithm for optimizing the order picking problem. Both algorithms incorporate multiple economic and ergonomic constraints simultaneously. Furthermore, the algorithms incorporate knowledge about the interdependence between both problems, aiming to improve the overall warehouse performance. Our evaluation results show that our proposed algorithms return better storage assignments and order pick routes compared to commonly used techniques for the following quality indicators for comparing Pareto fronts: Coverage, Generational Distance, Euclidian Distance, Pareto Front Size, and Inverted Generational Distance. Additionally, the evaluation regarding the interaction of both algorithms shows a better performance when combining both proposed algorithms.

We study the problem of learning in the stochastic shortest path (SSP) setting, where an agent seeks to minimize the expected cost accumulated before reaching a goal state. We design a novel model-based algorithm EB-SSP that carefully skews the empirical transitions and perturbs the empirical costs with an exploration bonus to guarantee both optimism and convergence of the associated value iteration scheme. We prove that EB-SSP achieves the minimax regret rate $\widetilde{O}(B_{\star} \sqrt{S A K})$, where $K$ is the number of episodes, $S$ is the number of states, $A$ is the number of actions and $B_{\star}$ bounds the expected cumulative cost of the optimal policy from any state, thus closing the gap with the lower bound. Interestingly, EB-SSP obtains this result while being parameter-free, i.e., it does not require any prior knowledge of $B_{\star}$, nor of $T_{\star}$ which bounds the expected time-to-goal of the optimal policy from any state. Furthermore, we illustrate various cases (e.g., positive costs, or general costs when an order-accurate estimate of $T_{\star}$ is available) where the regret only contains a logarithmic dependence on $T_{\star}$, thus yielding the first horizon-free regret bound beyond the finite-horizon MDP setting.

Recent studies have shown the vulnerability of reinforcement learning (RL) models in noisy settings. The sources of noises differ across scenarios. For instance, in practice, the observed reward channel is often subject to noise (e.g., when observed rewards are collected through sensors), and thus observed rewards may not be credible as a result. Also, in applications such as robotics, a deep reinforcement learning (DRL) algorithm can be manipulated to produce arbitrary errors. In this paper, we consider noisy RL problems where observed rewards by RL agents are generated with a reward confusion matrix. We call such observed rewards as perturbed rewards. We develop an unbiased reward estimator aided robust RL framework that enables RL agents to learn in noisy environments while observing only perturbed rewards. Our framework draws upon approaches for supervised learning with noisy data. The core ideas of our solution include estimating a reward confusion matrix and defining a set of unbiased surrogate rewards. We prove the convergence and sample complexity of our approach. Extensive experiments on different DRL platforms show that policies based on our estimated surrogate reward can achieve higher expected rewards, and converge faster than existing baselines. For instance, the state-of-the-art PPO algorithm is able to obtain 67.5% and 46.7% improvements in average on five Atari games, when the error rates are 10% and 30% respectively.

Stochastic gradient Markov chain Monte Carlo (SGMCMC) has become a popular method for scalable Bayesian inference. These methods are based on sampling a discrete-time approximation to a continuous time process, such as the Langevin diffusion. When applied to distributions defined on a constrained space, such as the simplex, the time-discretisation error can dominate when we are near the boundary of the space. We demonstrate that while current SGMCMC methods for the simplex perform well in certain cases, they struggle with sparse simplex spaces; when many of the components are close to zero. However, most popular large-scale applications of Bayesian inference on simplex spaces, such as network or topic models, are sparse. We argue that this poor performance is due to the biases of SGMCMC caused by the discretization error. To get around this, we propose the stochastic CIR process, which removes all discretization error and we prove that samples from the stochastic CIR process are asymptotically unbiased. Use of the stochastic CIR process within a SGMCMC algorithm is shown to give substantially better performance for a topic model and a Dirichlet process mixture model than existing SGMCMC approaches.

We propose a new method of estimation in topic models, that is not a variation on the existing simplex finding algorithms, and that estimates the number of topics K from the observed data. We derive new finite sample minimax lower bounds for the estimation of A, as well as new upper bounds for our proposed estimator. We describe the scenarios where our estimator is minimax adaptive. Our finite sample analysis is valid for any number of documents (n), individual document length (N_i), dictionary size (p) and number of topics (K), and both p and K are allowed to increase with n, a situation not handled well by previous analyses. We complement our theoretical results with a detailed simulation study. We illustrate that the new algorithm is faster and more accurate than the current ones, although we start out with a computational and theoretical disadvantage of not knowing the correct number of topics K, while we provide the competing methods with the correct value in our simulations.

Owing to the recent advances in "Big Data" modeling and prediction tasks, variational Bayesian estimation has gained popularity due to their ability to provide exact solutions to approximate posteriors. One key technique for approximate inference is stochastic variational inference (SVI). SVI poses variational inference as a stochastic optimization problem and solves it iteratively using noisy gradient estimates. It aims to handle massive data for predictive and classification tasks by applying complex Bayesian models that have observed as well as latent variables. This paper aims to decentralize it allowing parallel computation, secure learning and robustness benefits. We use Alternating Direction Method of Multipliers in a top-down setting to develop a distributed SVI algorithm such that independent learners running inference algorithms only require sharing the estimated model parameters instead of their private datasets. Our work extends the distributed SVI-ADMM algorithm that we first propose, to an ADMM-based networked SVI algorithm in which not only are the learners working distributively but they share information according to rules of a graph by which they form a network. This kind of work lies under the umbrella of `deep learning over networks' and we verify our algorithm for a topic-modeling problem for corpus of Wikipedia articles. We illustrate the results on latent Dirichlet allocation (LDA) topic model in large document classification, compare performance with the centralized algorithm, and use numerical experiments to corroborate the analytical results.