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In this study, we address the problem of optimizing multi-output black-box functions under uncertain environments. We formulate this problem as the estimation of the uncertain Pareto-frontier (PF) of a multi-output Bayesian surrogate model with two types of variables: design variables and environmental variables. We consider this problem within the context of Bayesian optimization (BO) under uncertain environments, where the design variables are controllable, whereas the environmental variables are assumed to be random and not controllable. The challenge of this problem is to robustly estimate the PF when the distribution of the environmental variables is unknown, that is, to estimate the PF when the environmental variables are generated from the worst possible distribution. We propose a method for solving the BO problem by appropriately incorporating the uncertainties of the environmental variables and their probability distribution. We demonstrate that the proposed method can find an arbitrarily accurate PF with high probability in a finite number of iterations. We also evaluate the performance of the proposed method through numerical experiments.

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Interleaving is an online evaluation approach for information retrieval systems that compares the effectiveness of ranking functions in interpreting the users' implicit feedback. Previous work such as Hofmann et al (2011) has evaluated the most promising interleaved methods at the time, on uniform distributions of queries. In the real world, ordinarily, there is an unbalanced distribution of repeated queries that follows a long-tailed users' search demand curve. The more a query is executed, by different users (or in different sessions), the higher the probability of collecting implicit feedback (interactions/clicks) on the related search results. This paper first aims to replicate the Team Draft Interleaving accuracy evaluation on uniform query distributions and then focuses on assessing how this method generalizes to long-tailed real-world scenarios. The reproducibility work raised interesting considerations on how the winning ranking function for each query should impact the overall winner for the entire evaluation. Based on what was observed, we propose that not all the queries should contribute to the final decision in equal proportion. As a result of these insights, we designed two variations of the $\Delta_{AB}$ score winner estimator that assign to each query a credit based on statistical hypothesis testing. To replicate, reproduce and extend the original work, we have developed from scratch a system that simulates a search engine and users' interactions from datasets from the industry. Our experiments confirm our intuition and show that our methods are promising in terms of accuracy, sensitivity, and robustness to noise.

We present a novel class of ambiguity sets for distributionally robust optimization (DRO). These ambiguity sets, called cost-aware ambiguity sets, are defined as halfspaces which depend on the cost function evaluated at an independent estimate of the optimal solution, thus excluding only those distributions that are expected to have significant impact on the obtained worst-case cost. We show that the resulting DRO method provides both a high-confidence upper bound and a consistent estimator of the out-of-sample expected cost, and demonstrate empirically that it results in less conservative solutions compared to divergence-based ambiguity sets.

This paper considers enforcing safety and stability of dynamical systems in the presence of model uncertainty. Safety and stability constraints may be specified using a control barrier function (CBF) and a control Lyapunov function (CLF), respectively. To take model uncertainty into account, robust and chance formulations of the constraints are commonly considered. However, this requires known error bounds or a known distribution for the model uncertainty, and the resulting formulations may suffer from over-conservatism or over-confidence. In this paper, we assume that only a finite set of model parametric uncertainty samples is available and formulate a distributionally robust chance-constrained program (DRCCP) for control synthesis with CBF safety and CLF stability guarantees. To facilitate efficient computation of control inputs during online execution, we present a reformulation of the DRCCP as a second-order cone program (SOCP). Our formulation is evaluated in an adaptive cruise control example in comparison to 1) a baseline CLF-CBF quadratic programming approach, 2) a robust approach that assumes known error bounds of the system uncertainty, and 3) a chance-constrained approach that assumes a known Gaussian Process distribution of the uncertainty.

Many machine learning problems can be framed in the context of estimating functions, and often these are time-dependent functions that are estimated in real-time as observations arrive. Gaussian processes (GPs) are an attractive choice for modeling real-valued nonlinear functions due to their flexibility and uncertainty quantification. However, the typical GP regression model suffers from several drawbacks: 1) Conventional GP inference scales $O(N^{3})$ with respect to the number of observations; 2) Updating a GP model sequentially is not trivial; and 3) Covariance kernels typically enforce stationarity constraints on the function, while GPs with non-stationary covariance kernels are often intractable to use in practice. To overcome these issues, we propose a sequential Monte Carlo algorithm to fit infinite mixtures of GPs that capture non-stationary behavior while allowing for online, distributed inference. Our approach empirically improves performance over state-of-the-art methods for online GP estimation in the presence of non-stationarity in time-series data. To demonstrate the utility of our proposed online Gaussian process mixture-of-experts approach in applied settings, we show that we can sucessfully implement an optimization algorithm using online Gaussian process bandits.

Automatic underwater vehicle hull Design optimization is a complex engineering process for generating a UUV hull with optimized properties on a given requirement. First, it involves the integration of involved computationally complex engineering simulation tools. Second, it needs integration of a sample efficient optimization framework with the integrated toolchain. To this end, we integrated the CAD tool called FreeCAD with CFD tool openFoam for automatic design evaluation. For optimization, we chose Bayesian optimization (BO), which is a well-known technique developed for optimizing time-consuming expensive engineering simulations and has proven to be very sample efficient in a variety of problems, including hyper-parameter tuning and experimental design. During the optimization process, we can handle infeasible design as constraints integrated into the optimization process. By integrating domain-specific toolchain with AI-based optimization, we executed the automatic design optimization of underwater vehicle hull design. For empirical evaluation, we took two different use cases of real-world underwater vehicle design to validate the execution of our tool.

In many industrial applications, obtaining labeled observations is not straightforward as it often requires the intervention of human experts or the use of expensive testing equipment. In these circumstances, active learning can be highly beneficial in suggesting the most informative data points to be used when fitting a model. Reducing the number of observations needed for model development alleviates both the computational burden required for training and the operational expenses related to labeling. Online active learning, in particular, is useful in high-volume production processes where the decision about the acquisition of the label for a data point needs to be taken within an extremely short time frame. However, despite the recent efforts to develop online active learning strategies, the behavior of these methods in the presence of outliers has not been thoroughly examined. In this work, we investigate the performance of online active linear regression in contaminated data streams. Our study shows that the currently available query strategies are prone to sample outliers, whose inclusion in the training set eventually degrades the predictive performance of the models. To address this issue, we propose a solution that bounds the search area of a conditional D-optimal algorithm and uses a robust estimator. Our approach strikes a balance between exploring unseen regions of the input space and protecting against outliers. Through numerical simulations, we show that the proposed method is effective in improving the performance of online active learning in the presence of outliers, thus expanding the potential applications of this powerful tool.

Data-driven soft sensors are extensively used in industrial and chemical processes to predict hard-to-measure process variables whose real value is difficult to track during routine operations. The regression models used by these sensors often require a large number of labeled examples, yet obtaining the label information can be very expensive given the high time and cost required by quality inspections. In this context, active learning methods can be highly beneficial as they can suggest the most informative labels to query. However, most of the active learning strategies proposed for regression focus on the offline setting. In this work, we adapt some of these approaches to the stream-based scenario and show how they can be used to select the most informative data points. We also demonstrate how to use a semi-supervised architecture based on orthogonal autoencoders to learn salient features in a lower dimensional space. The Tennessee Eastman Process is used to compare the predictive performance of the proposed approaches.

With the rising complexity of numerous novel applications that serve our modern society comes the strong need to design efficient computing platforms. Designing efficient hardware is, however, a complex multi-objective problem that deals with multiple parameters and their interactions. Given that there are a large number of parameters and objectives involved in hardware design, synthesizing all possible combinations is not a feasible method to find the optimal solution. One promising approach to tackle this problem is statistical modeling of a desired hardware performance. Here, we propose a model-based active learning approach to solve this problem. Our proposed method uses Bayesian models to characterize various aspects of hardware performance. We also use transfer learning and Gaussian regression bootstrapping techniques in conjunction with active learning to create more accurate models. Our proposed statistical modeling method provides hardware models that are sufficiently accurate to perform design space exploration as well as performance prediction simultaneously. We use our proposed method to perform design space exploration and performance prediction for various hardware setups, such as micro-architecture design and OpenCL kernels for FPGA targets. Our experiments show that the number of samples required to create performance models significantly reduces while maintaining the predictive power of our proposed statistical models. For instance, in our performance prediction setting, the proposed method needs 65% fewer samples to create the model, and in the design space exploration setting, our proposed method can find the best parameter settings by exploring less than 50 samples.

Causal discovery and causal reasoning are classically treated as separate and consecutive tasks: one first infers the causal graph, and then uses it to estimate causal effects of interventions. However, such a two-stage approach is uneconomical, especially in terms of actively collected interventional data, since the causal query of interest may not require a fully-specified causal model. From a Bayesian perspective, it is also unnatural, since a causal query (e.g., the causal graph or some causal effect) can be viewed as a latent quantity subject to posterior inference -- other unobserved quantities that are not of direct interest (e.g., the full causal model) ought to be marginalized out in this process and contribute to our epistemic uncertainty. In this work, we propose Active Bayesian Causal Inference (ABCI), a fully-Bayesian active learning framework for integrated causal discovery and reasoning, which jointly infers a posterior over causal models and queries of interest. In our approach to ABCI, we focus on the class of causally-sufficient, nonlinear additive noise models, which we model using Gaussian processes. We sequentially design experiments that are maximally informative about our target causal query, collect the corresponding interventional data, and update our beliefs to choose the next experiment. Through simulations, we demonstrate that our approach is more data-efficient than several baselines that only focus on learning the full causal graph. This allows us to accurately learn downstream causal queries from fewer samples while providing well-calibrated uncertainty estimates for the quantities of interest.

This paper focuses on the expected difference in borrower's repayment when there is a change in the lender's credit decisions. Classical estimators overlook the confounding effects and hence the estimation error can be magnificent. As such, we propose another approach to construct the estimators such that the error can be greatly reduced. The proposed estimators are shown to be unbiased, consistent, and robust through a combination of theoretical analysis and numerical testing. Moreover, we compare the power of estimating the causal quantities between the classical estimators and the proposed estimators. The comparison is tested across a wide range of models, including linear regression models, tree-based models, and neural network-based models, under different simulated datasets that exhibit different levels of causality, different degrees of nonlinearity, and different distributional properties. Most importantly, we apply our approaches to a large observational dataset provided by a global technology firm that operates in both the e-commerce and the lending business. We find that the relative reduction of estimation error is strikingly substantial if the causal effects are accounted for correctly.

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