亚洲男人的天堂2018av,欧美草比,久久久久久免费视频精选,国色天香在线看免费,久久久久亚洲av成人片仓井空

A computational framework that leverages data from self-consistent field theory simulations with deep learning to accelerate the exploration of parameter space for block copolymers is presented. This is a substantial two-dimensional extension of the framework introduced in [1]. Several innovations and improvements are proposed. (1) A Sobolev space-trained, convolutional neural network (CNN) is employed to handle the exponential dimension increase of the discretized, local average monomer density fields and to strongly enforce both spatial translation and rotation invariance of the predicted, field-theoretic intensive Hamiltonian. (2) A generative adversarial network (GAN) is introduced to efficiently and accurately predict saddle point, local average monomer density fields without resorting to gradient descent methods that employ the training set. This GAN approach yields important savings of both memory and computational cost. (3) The proposed machine learning framework is successfully applied to 2D cell size optimization as a clear illustration of its broad potential to accelerate the exploration of parameter space for discovering polymer nanostructures. Extensions to three-dimensional phase discovery appear to be feasible.

Most ordinary differential equation (ODE) models used to describe biological or physical systems must be solved approximately using numerical methods. Perniciously, even those solvers which seem sufficiently accurate for the forward problem, i.e., for obtaining an accurate simulation, may not be sufficiently accurate for the inverse problem, i.e., for inferring the model parameters from data. We show that for both fixed step and adaptive step ODE solvers, solving the forward problem with insufficient accuracy can distort likelihood surfaces, which may become jagged, causing inference algorithms to get stuck in local "phantom" optima. We demonstrate that biases in inference arising from numerical approximation of ODEs are potentially most severe in systems involving low noise and rapid nonlinear dynamics. We reanalyze an ODE changepoint model previously fit to the COVID-19 outbreak in Germany and show the effect of the step size on simulation and inference results. We then fit a more complicated rainfall-runoff model to hydrological data and illustrate the importance of tuning solver tolerances to avoid distorted likelihood surfaces. Our results indicate that when performing inference for ODE model parameters, adaptive step size solver tolerances must be set cautiously and likelihood surfaces should be inspected for characteristic signs of numerical issues.

Understanding superfluidity remains a major goal of condensed matter physics. Here we tackle this challenge utilizing the recently developed Fermionic neural network (FermiNet) wave function Ansatz for variational Monte Carlo calculations. We study the unitary Fermi gas, a system with strong, short-range, two-body interactions known to possess a superfluid ground state but difficult to describe quantitatively. We demonstrate key limitations of the FermiNet Ansatz in studying the unitary Fermi gas and propose a simple modification that outperforms the original FermiNet significantly, giving highly accurate results. We prove mathematically that the new Ansatz, which only differs from the original Ansatz by the method of antisymmetrization, is a strict generalization of the original FermiNet architecture, despite the use of fewer parameters. Our approach shares several advantages with the FermiNet: the use of a neural network removes the need for an underlying basis set; and the flexibility of the network yields extremely accurate results within a variational quantum Monte Carlo framework that provides access to unbiased estimates of arbitrary ground-state expectation values. We discuss how the method can be extended to study other superfluids.

The MACE architecture represents the state of the art in the field of machine learning force fields for a variety of in-domain, extrapolation and low-data regime tasks. In this paper, we further evaluate MACE by fitting models for published benchmark datasets. We show that MACE generally outperforms alternatives for a wide range of systems from amorphous carbon, universal materials modelling, and general small molecule organic chemistry to large molecules and liquid water. We demonstrate the capabilities of the model on tasks ranging from constrained geometry optimisation to molecular dynamics simulations and find excellent performance across all tested domains. We show that MACE is very data efficient, and can reproduce experimental molecular vibrational spectra when trained on as few as 50 randomly selected reference configurations. We further demonstrate that the strictly local atom-centered model is sufficient for such tasks even in the case of large molecules and weakly interacting molecular assemblies.

It is well known that a single anchor can be used to determine the position and orientation of an agent communicating with it. However, it is not clear what information about the anchor or the agent is necessary to perform this localization, especially when the agent is in the near-field of the anchor. Hence, in this paper, to investigate the limits of localizing an agent with some uncertainty in the anchor location, we consider a wireless link consisting of source and destination nodes. More specifically, we present a Fisher information theoretical investigation of the possibility of estimating different combinations of the source and destination's position and orientation from the signal received at the destination. To present a comprehensive study, we perform this Fisher information theoretic investigation under both the near and far field propagation models. One of the key insights is that while the source or destination's $3$D orientation can be jointly estimated with the source or destination's $3$D position in the near-field propagation regime, only the source or destination's $2$D orientation can be jointly estimated with the source or destination's $2$D position in the far-field propagation regime. Also, a simulation of the FIM indicates that in the near-field, we can estimate the source's $3$D orientation angles with no beamforming, but in the far-field, we can not estimate the source's $2$D orientation angles when no beamforming is employed.

This PhD thesis contains several contributions to the field of statistical causal modeling. Statistical causal models are statistical models embedded with causal assumptions that allow for the inference and reasoning about the behavior of stochastic systems affected by external manipulation (interventions). This thesis contributes to the research areas concerning the estimation of causal effects, causal structure learning, and distributionally robust (out-of-distribution generalizing) prediction methods. We present novel and consistent linear and non-linear causal effects estimators in instrumental variable settings that employ data-dependent mean squared prediction error regularization. Our proposed estimators show, in certain settings, mean squared error improvements compared to both canonical and state-of-the-art estimators. We show that recent research on distributionally robust prediction methods has connections to well-studied estimators from econometrics. This connection leads us to prove that general K-class estimators possess distributional robustness properties. We, furthermore, propose a general framework for distributional robustness with respect to intervention-induced distributions. In this framework, we derive sufficient conditions for the identifiability of distributionally robust prediction methods and present impossibility results that show the necessity of several of these conditions. We present a new structure learning method applicable in additive noise models with directed trees as causal graphs. We prove consistency in a vanishing identifiability setup and provide a method for testing substructure hypotheses with asymptotic family-wise error control that remains valid post-selection. Finally, we present heuristic ideas for learning summary graphs of nonlinear time-series models.

The concept of smart grid has been introduced as a new vision of the conventional power grid to figure out an efficient way of integrating green and renewable energy technologies. In this way, Internet-connected smart grid, also called energy Internet, is also emerging as an innovative approach to ensure the energy from anywhere at any time. The ultimate goal of these developments is to build a sustainable society. However, integrating and coordinating a large number of growing connections can be a challenging issue for the traditional centralized grid system. Consequently, the smart grid is undergoing a transformation to the decentralized topology from its centralized form. On the other hand, blockchain has some excellent features which make it a promising application for smart grid paradigm. In this paper, we have an aim to provide a comprehensive survey on application of blockchain in smart grid. As such, we identify the significant security challenges of smart grid scenarios that can be addressed by blockchain. Then, we present a number of blockchain-based recent research works presented in different literatures addressing security issues in the area of smart grid. We also summarize several related practical projects, trials, and products that have been emerged recently. Finally, we discuss essential research challenges and future directions of applying blockchain to smart grid security issues.

High spectral dimensionality and the shortage of annotations make hyperspectral image (HSI) classification a challenging problem. Recent studies suggest that convolutional neural networks can learn discriminative spatial features, which play a paramount role in HSI interpretation. However, most of these methods ignore the distinctive spectral-spatial characteristic of hyperspectral data. In addition, a large amount of unlabeled data remains an unexploited gold mine for efficient data use. Therefore, we proposed an integration of generative adversarial networks (GANs) and probabilistic graphical models for HSI classification. Specifically, we used a spectral-spatial generator and a discriminator to identify land cover categories of hyperspectral cubes. Moreover, to take advantage of a large amount of unlabeled data, we adopted a conditional random field to refine the preliminary classification results generated by GANs. Experimental results obtained using two commonly studied datasets demonstrate that the proposed framework achieved encouraging classification accuracy using a small number of data for training.

Image segmentation is considered to be one of the critical tasks in hyperspectral remote sensing image processing. Recently, convolutional neural network (CNN) has established itself as a powerful model in segmentation and classification by demonstrating excellent performances. The use of a graphical model such as a conditional random field (CRF) contributes further in capturing contextual information and thus improving the segmentation performance. In this paper, we propose a method to segment hyperspectral images by considering both spectral and spatial information via a combined framework consisting of CNN and CRF. We use multiple spectral cubes to learn deep features using CNN, and then formulate deep CRF with CNN-based unary and pairwise potential functions to effectively extract the semantic correlations between patches consisting of three-dimensional data cubes. Effective piecewise training is applied in order to avoid the computationally expensive iterative CRF inference. Furthermore, we introduce a deep deconvolution network that improves the segmentation masks. We also introduce a new dataset and experimented our proposed method on it along with several widely adopted benchmark datasets to evaluate the effectiveness of our method. By comparing our results with those from several state-of-the-art models, we show the promising potential of our method.