We present a complete study on four methane lines for two atmospheric micro-windows (in the ν2 + ν4 absorption band) used for the determination of atmospheric methane concentrations with ground-based Fourier transform spectrometers. Thanks to our tunable diode laser (TDL) spectrometer with active wavenumber control and step-by-step recording mode we have improved the accuracy on intensity, broadening, narrowing, and pressure shift parameters. To make our results directly useable in atmospheric models which usually assume a Voigt line shape, we have parameterised an effective-broadening parameter γVoigt (P) for each line and each gas mixture (CH4-N2 and CH4-O2). When this parameterisation is used to fit a “true” line profile, the same concentration as with more sophisticated models is retrieved using a consistent set of spectroscopic parameters in both approaches. 相似文献
Ab initio complete optimizations at MP2/6-31++G** level have been performed in the T-shaped geometry of the benzene-benzene and benzene-naphthalene complexes. To check the effect of the basis set superposition error (BSSE), optimizations have been done in the BSSE corrected and BSSE uncorrected potential energy surfaces. The BSSE effect in the calculation of the Hessian has also been evaluated to check its influence in the frequency values. Quantum theory atoms in molecules (QTAIM) calculations have also been performed on both dimers. Intermolecular energies differ around a 25% when the optimization is performed with or without counterpoise corrected gradients. The influence of BSSE is also noticeable in the distances. Frequency shifts show big changes because of the BSSE. Thus, uncorrected values are up 350% larger than corrected ones. The hypotheses given in the literature to explain the origin of the blue-shifting hydrogen bond do not seem to give a suitable explanation for all characteristics of the behavior found in the studied systems. 相似文献
In the area of brain-computer interfaces (BCI), the detection of P300 is a very important technique and has a lot of applications. Although this problem has been studied for decades, it is still a tough problem in electroencephalography (EEG) signal processing owing to its high dimension features and low signal-to-noise ratio (SNR). Recently, neural networks, like conventional neural networks (CNN), has shown excellent performance on many applications. However, standard convolutional neural networks suffer from performance degradation on dealing with noisy data or data with too many redundant information. In this paper, we proposed a novel convolutional neural network with variational information bottleneck for P300 detection. Wiht the CNN architecture and information bottleneck, the proposed network termed P300-VIB-Net could remove the redundant information in data effectively. The experimental results on BCI competition data sets show that P300-VIB-Net achieves cutting-edge character recognition performance. Furthermore, the proposed model is capable of restricting the flow of irrelevant information adaptively in the network from perspective of information theory. The experimental results show that P300-VIB-Net is a promising tool for P300 detection. 相似文献
Polymerization‐induced self‐assembly (PISA) is an extremely versatile method for the in situ preparation of soft‐matter nanoparticles of defined size and morphologies at high concentrations, suitable for large‐scale production. Recently, certain PISA‐prepared nanoparticles have been shown to exhibit reversible polymorphism (“shape‐shifting”), typically between micellar, worm‐like, and vesicular phases (order–order transitions), in response to external stimuli including temperature, pH, electrolytes, and chemical modification. This review summarises the literature to date and describes molecular requirements for the design of stimulus‐responsive nano‐objects. Reversible pH‐responsive behavior is rationalised in terms of increased solvation of reversibly ionized groups. Temperature‐triggered order–order transitions, conversely, do not rely on inherently thermo‐responsive polymers, but are explained based on interfacial LCST or UCST behavior that affects the volume fractions of the core and stabilizer blocks. Irreversible morphology transitions, on the other hand, can result from chemical post‐modification of reactive PISA‐made particles. Emerging applications and future research directions of this “smart” nanoparticle behavior are reviewed.
In this paper, we study the effect of moving bottlenecks on traffic flow. The full velocity difference (FVD) model is extended to the traffic flow on a two-lane highway, and new lane changing rule is proposed to reproduce the vehicular lane changing behavior. Using this model, we derive the fundamental current-density diagrams for the traffic flow with the effect of moving bottleneck. Moreover, typical time-space diagram for a two-lane highway shows the formation and dissipation of a moving bottleneck. Results demonstrate that the effect of moving bottleneck enlarges with the increase of traffic density, but the effect can be reduced by increasing the maximum velocity of heavy truck. The effects of multiple moving bottlenecks under different conditions are investigated. The effect becomes more remarkable when the coupling effect of multiple moving bottlenecks occurs. 相似文献
Deep learning methods have had outstanding performances in various fields. A fundamental query is why they are so effective. Information theory provides a potential answer by interpreting the learning process as the information transmission and compression of data. The information flows can be visualized on the information plane of the mutual information among the input, hidden, and output layers. In this study, we examine how the information flows are shaped by the network parameters, such as depth, sparsity, weight constraints, and hidden representations. Here, we adopt autoencoders as models of deep learning, because (i) they have clear guidelines for their information flows, and (ii) they have various species, such as vanilla, sparse, tied, variational, and label autoencoders. We measured their information flows using Rényi’s matrix-based -order entropy functional. As learning progresses, they show a typical fitting phase where the amounts of input-to-hidden and hidden-to-output mutual information both increase. In the last stage of learning, however, some autoencoders show a simplifying phase, previously called the “compression phase”, where input-to-hidden mutual information diminishes. In particular, the sparsity regularization of hidden activities amplifies the simplifying phase. However, tied, variational, and label autoencoders do not have a simplifying phase. Nevertheless, all autoencoders have similar reconstruction errors for training and test data. Thus, the simplifying phase does not seem to be necessary for the generalization of learning. 相似文献