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Physics-informed neural networks (PINNs) have recently been used to solve various computational problems which are governed by partial differential equations (PDEs). In this paper, we propose a multi-output physics-informed neural network (MO-PINN) which can provide solutions with uncertainty distributions for both forward and inverse PDE problems with noisy data. In this framework, the uncertainty arising from the noisy data is first translated into multiple measurements regarding the prior noise distribution using the bootstrap method, and then the outputs of neural networks are designed to satisfy the measurements as well as the underlying physical laws.The posterior estimation of target parameters can be obtained at the end of training, which can be further used for uncertainty quantification and decision making. In this paper, MO-PINNs are demonstrated with a series of numerical experiments including both linear and nonlinear, forward and inverse problems. The results show that MO-PINN is able to provide accurate predictions with noisy data.In addition, we also demonstrate that the prediction and posterior distributions from MO-PINNs are consistent with the solutions from traditional a finite element method (FEM) solver and Monte Carlo methods given the same data and prior knowledge. Finally, we show that additional statistical knowledge can be incorporated into the training to improve the prediction if available.

The aim of this paper is to address two related estimation problems arising in the setup of hidden state linear time invariant (LTI) state space systems when the dimension of the hidden state is unknown. Namely, the estimation of any finite number of the system's Markov parameters and the estimation of a minimal realization for the system, both from the partial observation of a single trajectory. For both problems, we provide statistical guarantees in the form of various estimation error upper bounds, $\rank$ recovery conditions, and sample complexity estimates. Specifically, we first show that the low $\rank$ solution of the Hankel penalized least square estimator satisfies an estimation error in $S_p$-norms for $p \in [1,2]$ that captures the effect of the system order better than the existing operator norm upper bound for the simple least square. We then provide a stability analysis for an estimation procedure based on a variant of the Ho-Kalman algorithm that improves both the dependence on the dimension and the least singular value of the Hankel matrix of the Markov parameters. Finally, we propose an estimation algorithm for the minimal realization that uses both the Hankel penalized least square estimator and the Ho-Kalman based estimation procedure and guarantees with high probability that we recover the correct order of the system and satisfies a new fast rate in the $S_2$-norm with a polynomial reduction in the dependence on the dimension and other parameters of the problem.

We consider the approximation of the inverse square root of regularly accretive operators in Hilbert spaces. The approximation is of rational type and comes from the use of the Gauss-Legendre rule applied to a special integral formulation of the problem. We derive sharp error estimates, based on the use of the numerical range, and provide some numerical experiments. For practical purposes, the finite dimensional case is also considered. In this setting, the convergence is shown to be of exponential type.

In black-box function optimization, we need to consider not only controllable design variables but also uncontrollable stochastic environment variables. In such cases, it is necessary to solve the optimization problem by taking into account the uncertainty of the environmental variables. Chance-constrained (CC) problem, the problem of maximizing the expected value under a certain level of constraint satisfaction probability, is one of the practically important problems in the presence of environmental variables. In this study, we consider distributionally robust CC (DRCC) problem and propose a novel DRCC Bayesian optimization method for the case where the distribution of the environmental variables cannot be precisely specified. We show that the proposed method can find an arbitrary accurate solution with high probability in a finite number of trials, and confirm the usefulness of the proposed method through numerical experiments.

Distributional reinforcement learning~(RL) is a class of state-of-the-art algorithms that estimate the whole distribution of the total return rather than only its expectation. The representation manner of each return distribution and the choice of distribution divergence are pivotal for the empirical success of distributional RL. In this paper, we propose a new class of \textit{Sinkhorn distributional RL} algorithm that learns a finite set of statistics, i.e., deterministic samples, from each return distribution and then leverages Sinkhorn iterations to evaluate the Sinkhorn distance between the current and target Bellmen distributions. Remarkably, as Sinkhorn divergence interpolates between the Wasserstein distance and Maximum Mean Discrepancy~(MMD). This allows our proposed Sinkhorn distributional RL algorithms to find a sweet spot leveraging the geometry of optimal transport-based distance, and the unbiased gradient estimates of MMD. Finally, experiments on a suite of Atari games reveal the competitive performance of Sinkhorn distributional RL algorithm as opposed to existing state-of-the-art algorithms.

Approximate Bayesian Computation (ABC) enables statistical inference in complex models whose likelihoods are difficult to calculate but easy to simulate from. ABC constructs a kernel-type approximation to the posterior distribution through an accept/reject mechanism which compares summary statistics of real and simulated data. To obviate the need for summary statistics, we directly compare empirical distributions with a Kullback-Leibler (KL) divergence estimator obtained via classification. In particular, we blend flexible machine learning classifiers within ABC to automate fake/real data comparisons. We consider the traditional accept/reject kernel as well as an exponential weighting scheme which does not require the ABC acceptance threshold. Our theoretical results show that the rate at which our ABC posterior distributions concentrate around the true parameter depends on the estimation error of the classifier. We derive limiting posterior shape results and find that, with a properly scaled exponential kernel, asymptotic normality holds. We demonstrate the usefulness of our approach on simulated examples as well as real data in the context of stock volatility estimation.

Network embedding aims to learn a latent, low-dimensional vector representations of network nodes, effective in supporting various network analytic tasks. While prior arts on network embedding focus primarily on preserving network topology structure to learn node representations, recently proposed attributed network embedding algorithms attempt to integrate rich node content information with network topological structure for enhancing the quality of network embedding. In reality, networks often have sparse content, incomplete node attributes, as well as the discrepancy between node attribute feature space and network structure space, which severely deteriorates the performance of existing methods. In this paper, we propose a unified framework for attributed network embedding-attri2vec-that learns node embeddings by discovering a latent node attribute subspace via a network structure guided transformation performed on the original attribute space. The resultant latent subspace can respect network structure in a more consistent way towards learning high-quality node representations. We formulate an optimization problem which is solved by an efficient stochastic gradient descent algorithm, with linear time complexity to the number of nodes. We investigate a series of linear and non-linear transformations performed on node attributes and empirically validate their effectiveness on various types of networks. Another advantage of attri2vec is its ability to solve out-of-sample problems, where embeddings of new coming nodes can be inferred from their node attributes through the learned mapping function. Experiments on various types of networks confirm that attri2vec is superior to state-of-the-art baselines for node classification, node clustering, as well as out-of-sample link prediction tasks. The source code of this paper is available at //github.com/daokunzhang/attri2vec.

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.

This work considers the problem of provably optimal reinforcement learning for episodic finite horizon MDPs, i.e. how an agent learns to maximize his/her long term reward in an uncertain environment. The main contribution is in providing a novel algorithm --- Variance-reduced Upper Confidence Q-learning (vUCQ) --- which enjoys a regret bound of $\widetilde{O}(\sqrt{HSAT} + H^5SA)$, where the $T$ is the number of time steps the agent acts in the MDP, $S$ is the number of states, $A$ is the number of actions, and $H$ is the (episodic) horizon time. This is the first regret bound that is both sub-linear in the model size and asymptotically optimal. The algorithm is sub-linear in that the time to achieve $\epsilon$-average regret for any constant $\epsilon$ is $O(SA)$, which is a number of samples that is far less than that required to learn any non-trivial estimate of the transition model (the transition model is specified by $O(S^2A)$ parameters). The importance of sub-linear algorithms is largely the motivation for algorithms such as $Q$-learning and other "model free" approaches. vUCQ algorithm also enjoys minimax optimal regret in the long run, matching the $\Omega(\sqrt{HSAT})$ lower bound. Variance-reduced Upper Confidence Q-learning (vUCQ) is a successive refinement method in which the algorithm reduces the variance in $Q$-value estimates and couples this estimation scheme with an upper confidence based algorithm. Technically, the coupling of both of these techniques is what leads to the algorithm enjoying both the sub-linear regret property and the asymptotically optimal regret.

Adding attributes for nodes to network embedding helps to improve the ability of the learned joint representation to depict features from topology and attributes simultaneously. Recent research on the joint embedding has exhibited a promising performance on a variety of tasks by jointly embedding the two spaces. However, due to the indispensable requirement of globality based information, present approaches contain a flaw of in-scalability. Here we propose \emph{SANE}, a scalable attribute-aware network embedding algorithm with locality, to learn the joint representation from topology and attributes. By enforcing the alignment of a local linear relationship between each node and its K-nearest neighbors in topology and attribute space, the joint embedding representations are more informative comparing with a single representation from topology or attributes alone. And we argue that the locality in \emph{SANE} is the key to learning the joint representation at scale. By using several real-world networks from diverse domains, We demonstrate the efficacy of \emph{SANE} in performance and scalability aspect. Overall, for performance on label classification, SANE successfully reaches up to the highest F1-score on most datasets, and even closer to the baseline method that needs label information as extra inputs, compared with other state-of-the-art joint representation algorithms. What's more, \emph{SANE} has an up to 71.4\% performance gain compared with the single topology-based algorithm. For scalability, we have demonstrated the linearly time complexity of \emph{SANE}. In addition, we intuitively observe that when the network size scales to 100,000 nodes, the "learning joint embedding" step of \emph{SANE} only takes $\approx10$ seconds.