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Linfeng Ye

Publications and source records attributed to Linfeng Ye.

21 records · Page 2Linked to original sources

Conditional Mutual Information Constrained Deep Learning for Classification

The concepts of conditional mutual information (CMI) and normalized conditional mutual information (NCMI) are introduced to measure the concentration and separation performance of a classification deep neural network (DNN) in the output probability distribution space of the DNN, where CMI and the ratio between CMI and NCMI represent the intra-class concentration and inter-class separation of the DNN, respectively. By using NCMI to evaluate popular DNNs pretrained over ImageNet in the literature, it is shown that their validation accuracies over ImageNet validation data set are more or less inversely proportional to their NCMI values. Based on this observation, the standard deep learning (DL) framework is further modified to minimize the standard cross entropy function subject to an NCMI constraint, yielding CMI constrained deep learning (CMIC-DL). A novel alternating learning algorithm is proposed to solve such a constrained optimization problem. Extensive experiment results show that DNNs trained within CMIC-DL outperform the state-of-the-art models trained within the standard DL and other loss functions in the literature in terms of both accuracy and robustness against adversarial attacks. In addition, visualizing the evolution of learning process through the lens of CMI and NCMI is also advocated.

cs.LG↗

Self-Adaptive Real-Time Time-Dependent Density Functional Theory for X-ray Absorptions

Real-time time-dependent density functional theory (RT-TDDFT) can in principle access the whole absorption spectrum of a many-electron system exposed to a narrow pulse. However, this requires an accurate and efficient propagator for the numerical integration of the time-dependent Kohn-Sham equation. While a low-order time propagator is already sufficient for the low-lying valence absorption spectra, it is no longer the case for the X-ray absorption spectra (XAS) of systems composed even only of light elements, for which the use of a high-order propagator is indispensable. It is then crucial to choose a largest possible time step and a shortest possible simulation time, so as to minimize the computational cost. To this end, we propose here a robust AutoPST approach to determine automatically (Auto) the propagator (P), step (S), and time (T) for relativistic RT-TDDFT simulations of XAS.

physics.chem-ph↗

Application of Grey System Theory in Approximate Calculation of Wave Packet Evolution

The study of wave packet is of great significance in quantum mechanics, optics and fluid mechanics. However, in order to solve the strict evolution behavior of wave packet, it is necessary not only to determine the parameters of various physical quantities such as mass, but also to carry out the complex integration process in configuration space and momentum space. In the final analysis, the evolution behavior of wave packet is the evolution behavior of distribution function parameters with time. Using the method of grey system theory, the time-varying parameters are replaced by time-varying response series, and then the formal structure is constructed according to the physical meaning of time evolution to realize the approximate simulation and approximate calculation of wave function expression. The advantage of this method is that it can simulate the evolution of wave packet under the uncertainty of each physical quantity. Based on the grey system theory, this paper uses GM (1,1) model to replace the time response function of wave packet distribution, obtains the simulated evolution behavior of wave packet wave function by means of mathematical techniques such as variational method, and makes error analysis and correction. In practical application, the approximate evolution behavior of wave function can be obtained only by determining the parameters of expansion coefficient of wave function. In this paper, the Gauss wave packet is taken as an example to discuss the method. The grey system theory of mathematical modeling is introduced into physical calculation for the first time, and an approximate calculation method which can be widely used in wave packet evolution calculation is given.

physics.comp-ph↗