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Earth system models suffer from various structural and parametric errors in their representation of nonlinear, multi-scale processes, leading to uncertainties in their long-term projections. The effects of many of these errors (particularly those due to fast physics) can be quantified in short-term simulations, e.g., as differences between the predicted and observed states (analysis increments). With the increase in the availability of high-quality observations and simulations, learning nudging from these increments to correct model errors has become an active research area. However, most studies focus on using neural networks, which while powerful, are hard to interpret, are data-hungry, and poorly generalize out-of-distribution. Here, we show the capabilities of Model Error Discovery with Interpretability and Data Assimilation (MEDIDA), a general, data-efficient framework that uses sparsity-promoting equation-discovery techniques to learn model errors from analysis increments. Using two-layer quasi-geostrophic turbulence as the test case, MEDIDA is shown to successfully discover various linear and nonlinear structural/parametric errors when full observations are available. Discovery from spatially sparse observations is found to require highly accurate interpolation schemes. While NNs have shown success as interpolators in recent studies, here, they are found inadequate due to their inability to accurately represent small scales, a phenomenon known as spectral bias. We show that a general remedy, adding a random Fourier feature layer to the NN, resolves this issue enabling MEDIDA to successfully discover model errors from sparse observations. These promising results suggest that with further development, MEDIDA could be scaled up to models of the Earth system and real observations.

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ACM/IEEE第23屆模型驅動工程語言和系統國際會議,是模型驅動軟件和系統工程的首要會議系列,由ACM-SIGSOFT和IEEE-TCSE支持組織。自1998年以來,模型涵蓋了建模的各個方面,從語言和方法到工具和應用程序。模特的參加者來自不同的背景,包括研究人員、學者、工程師和工業專業人士。MODELS 2019是一個論壇,參與者可以圍繞建模和模型驅動的軟件和系統交流前沿研究成果和創新實踐經驗。今年的版本將為建模社區提供進一步推進建模基礎的機會,并在網絡物理系統、嵌入式系統、社會技術系統、云計算、大數據、機器學習、安全、開源等新興領域提出建模的創新應用以及可持續性。 官網鏈接: · NVM · 表示 · 蒙特卡羅 · 推斷 ·
2023 年 11 月 7 日

We consider the problem of obtaining effective representations for the solutions of linear, vector-valued stochastic differential equations (SDEs) driven by non-Gaussian pure-jump L\'evy processes, and we show how such representations lead to efficient simulation methods. The processes considered constitute a broad class of models that find application across the physical and biological sciences, mathematics, finance and engineering. Motivated by important relevant problems in statistical inference, we derive new, generalised shot-noise simulation methods whenever a normal variance-mean (NVM) mixture representation exists for the driving L\'evy process, including the generalised hyperbolic, normal-Gamma, and normal tempered stable cases. Simple, explicit conditions are identified for the convergence of the residual of a truncated shot-noise representation to a Brownian motion in the case of the pure L\'evy process, and to a Brownian-driven SDE in the case of the L\'evy-driven SDE. These results provide Gaussian approximations to the small jumps of the process under the NVM representation. The resulting representations are of particular importance in state inference and parameter estimation for L\'evy-driven SDE models, since the resulting conditionally Gaussian structures can be readily incorporated into latent variable inference methods such as Markov chain Monte Carlo (MCMC), Expectation-Maximisation (EM), and sequential Monte Carlo.

Ultra-widefield (UWF) fundus images are replacing traditional fundus images in screening, detection, prediction, and treatment of complications related to myopia because their much broader visual range is advantageous for highly myopic eyes. Spherical equivalent (SE) is extensively used as the main myopia outcome measure, and axial length (AL) has drawn increasing interest as an important ocular component for assessing myopia. Cutting-edge studies show that SE and AL are strongly correlated. Using the joint information from SE and AL is potentially better than using either separately. In the deep learning community, though there is research on multiple-response tasks with a 3D image biomarker, dependence among responses is only sporadically taken into consideration. Inspired by the spirit that information extracted from the data by statistical methods can improve the prediction accuracy of deep learning models, we formulate a class of multivariate response regression models with a higher-order tensor biomarker, for the bivariate tasks of regression-classification and regression-regression. Specifically, we propose a copula-enhanced convolutional neural network (CeCNN) framework that incorporates the dependence between responses through a Gaussian copula (with parameters estimated from a warm-up CNN) and uses the induced copula-likelihood loss with the backbone CNNs. We establish the statistical framework and algorithms for the aforementioned two bivariate tasks. We show that the CeCNN has better prediction accuracy after adding the dependency information to the backbone models. The modeling and the proposed CeCNN algorithm are applicable beyond the UWF scenario and can be effective with other backbones beyond ResNet and LeNet.

We collect robust proposals given in the field of regression models with heteroscedastic errors. Our motivation stems from the fact that the practitioner frequently faces the confluence of two phenomena in the context of data analysis: non--linearity and heteroscedasticity. The impact of heteroscedasticity on the precision of the estimators is well--known, however the conjunction of these two phenomena makes handling outliers more difficult. An iterative procedure to estimate the parameters of a heteroscedastic non--linear model is considered. The studied estimators combine weighted $MM-$regression estimators, to control the impact of high leverage points, and a robust method to estimate the parameters of the variance function.

In this paper, neural network approximation methods are developed for elliptic partial differential equations with multi-frequency solutions. Neural network work approximation methods have advantages over classical approaches in that they can be applied without much concerns on the form of the differential equations or the shape or dimension of the problem domain. When applied to problems with multi-frequency solutions, the performance and accuracy of neural network approximation methods are strongly affected by the contrast of the high- and low-frequency parts in the solutions. To address this issue, domain scaling and residual correction methods are proposed. The efficiency and accuracy of the proposed methods are demonstrated for multi-frequency model problems.

While model architectures and training strategies have become more generic and flexible with respect to different data modalities over the past years, a persistent limitation lies in the assumption of fixed quantities and arrangements of input features. This limitation becomes particularly relevant in scenarios where the attributes captured during data acquisition vary across different samples. In this work, we aim at effectively leveraging data with varying features, without the need to constrain the input space to the intersection of potential feature sets or to expand it to their union. We propose a novel architecture that can directly process data without the necessity of aligned feature modalities by learning a general embedding space that captures the relationship between features across data samples with varying sets of features. This is achieved via a set-transformer architecture augmented by feature-encoder layers, thereby enabling the learning of a shared latent feature space from data originating from heterogeneous feature spaces. The advantages of the model are demonstrated for automatic cancer cell detection in acute myeloid leukemia in flow cytometry data, where the features measured during acquisition often vary between samples. Our proposed architecture's capacity to operate seamlessly across incongruent feature spaces is particularly relevant in this context, where data scarcity arises from the low prevalence of the disease. The code is available for research purposes at //github.com/lisaweijler/FATE.

Scale-free dynamics, formalized by selfsimilarity, provides a versatile paradigm massively and ubiquitously used to model temporal dynamics in real-world data. However, its practical use has mostly remained univariate so far. By contrast, modern applications often demand multivariate data analysis. Accordingly, models for multivariate selfsimilarity were recently proposed. Nevertheless, they have remained rarely used in practice because of a lack of available robust estimation procedures for the vector of selfsimilarity parameters. Building upon recent mathematical developments, the present work puts forth an efficient estimation procedure based on the theoretical study of the multiscale eigenstructure of the wavelet spectrum of multivariate selfsimilar processes. The estimation performance is studied theoretically in the asymptotic limits of large scale and sample sizes, and computationally for finite-size samples. As a practical outcome, a fully operational and documented multivariate signal processing estimation toolbox is made freely available and is ready for practical use on real-world data. Its potential benefits are illustrated in epileptic seizure prediction from multi-channel EEG data.

Stress prediction in porous materials and structures is challenging due to the high computational cost associated with direct numerical simulations. Convolutional Neural Network (CNN) based architectures have recently been proposed as surrogates to approximate and extrapolate the solution of such multiscale simulations. These methodologies are usually limited to 2D problems due to the high computational cost of 3D voxel based CNNs. We propose a novel geometric learning approach based on a Graph Neural Network (GNN) that efficiently deals with three-dimensional problems by performing convolutions over 2D surfaces only. Following our previous developments using pixel-based CNN, we train the GNN to automatically add local fine-scale stress corrections to an inexpensively computed coarse stress prediction in the porous structure of interest. Our method is Bayesian and generates densities of stress fields, from which credible intervals may be extracted. As a second scientific contribution, we propose to improve the extrapolation ability of our network by deploying a strategy of online physics-based corrections. Specifically, we condition the posterior predictions of our probabilistic predictions to satisfy partial equilibrium at the microscale, at the inference stage. This is done using an Ensemble Kalman algorithm, to ensure tractability of the Bayesian conditioning operation. We show that this innovative methodology allows us to alleviate the effect of undesirable biases observed in the outputs of the uncorrected GNN, and improves the accuracy of the predictions in general.

Purpose: To provide a simulation framework for routine neuroimaging test data, which allows for "stress testing" of deep segmentation networks against acquisition shifts that commonly occur in clinical practice for T2 weighted (T2w) fluid attenuated inversion recovery (FLAIR) Magnetic Resonance Imaging (MRI) protocols. Approach: The approach simulates "acquisition shift derivatives" of MR images based on MR signal equations. Experiments comprise the validation of the simulated images by real MR scans and example stress tests on state-of-the-art MS lesion segmentation networks to explore a generic model function to describe the F1 score in dependence of the contrast-affecting sequence parameters echo time (TE) and inversion time (TI). Results: The differences between real and simulated images range up to 19 % in gray and white matter for extreme parameter settings. For the segmentation networks under test the F1 score dependency on TE and TI can be well described by quadratic model functions (R^2 > 0.9). The coefficients of the model functions indicate that changes of TE have more influence on the model performance than TI. Conclusions: We show that these deviations are in the range of values as may be caused by erroneous or individual differences of relaxation times as described by literature. The coefficients of the F1 model function allow for quantitative comparison of the influences of TE and TI. Limitations arise mainly from tissues with the low baseline signal (like CSF) and when the protocol contains contrast-affecting measures that cannot be modelled due to missing information in the DICOM header.

In prediction settings where data are collected over time, it is often of interest to understand both the importance of variables for predicting the response at each time point and the importance summarized over the time series. Building on recent advances in estimation and inference for variable importance measures, we define summaries of variable importance trajectories. These measures can be estimated and the same approaches for inference can be applied regardless of the choice of the algorithm(s) used to estimate the prediction function. We propose a nonparametric efficient estimation and inference procedure as well as a null hypothesis testing procedure that are valid even when complex machine learning tools are used for prediction. Through simulations, we demonstrate that our proposed procedures have good operating characteristics, and we illustrate their use by investigating the longitudinal importance of risk factors for suicide attempt.

At least two, different approaches to define and solve statistical models for the analysis of economic systems exist: the typical, econometric one, interpreting the Gravity Model specification as the expected link weight of an arbitrary probability distribution, and the one rooted into statistical physics, constructing maximum-entropy distributions constrained to satisfy certain network properties. In a couple of recent, companion papers they have been successfully integrated within the framework induced by the constrained minimisation of the Kullback-Leibler divergence: specifically, two, broad classes of models have been devised, i.e. the integrated and the conditional ones, defined by different, probabilistic rules to place links, load them with weights and turn them into proper, econometric prescriptions. Still, the recipes adopted by the two approaches to estimate the parameters entering into the definition of each model differ. In econometrics, a likelihood that decouples the binary and weighted parts of a model, treating a network as deterministic, is typically maximised; to restore its random character, two alternatives exist: either solving the likelihood maximisation on each configuration of the ensemble and taking the average of the parameters afterwards or taking the average of the likelihood function and maximising the latter one. The difference between these approaches lies in the order in which the operations of averaging and maximisation are taken - a difference that is reminiscent of the quenched and annealed ways of averaging out the disorder in spin glasses. The results of the present contribution, devoted to comparing these recipes in the case of continuous, conditional network models, indicate that the annealed estimation recipe represents the best alternative to the deterministic one.

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