Dual-Topology Hamiltonian-Replica-Exchange Overlap Histogramming Method to Calculate Relative Free Energy Difference in Rough Energy Landscape

A novel overlap histogramming method based on Dual-Topology Hamiltonian-Replica-Exchange simulation technique is presented to efficiently calculate relative free energy difference in rough energy landscape, in which multiple conformers coexist and are separated by large energy barriers. The proposed method is based on the realization that both DT-HERM exchange efficiency and confidence of free energy determination in overlap histogramming method depend on the same criteria: neighboring states' energy derivative distribution overlap. In this paper, we demonstrate this new methodology by calculating free energy difference between amino acids: Leucine and Asparagine, which is an identified chanllenging system for free energy simulations.Comment: 14 pages with 4 figure

A Deep Learning Prediction Model Based on Extreme-Point Symmetric Mode Decomposition and Cluster Analysis

Aiming at the irregularity of nonlinear signal and its predicting difficulty, a deep learning prediction model based on extreme-point symmetric mode decomposition (ESMD) and clustering analysis is proposed. Firstly, the original data is decomposed by ESMD to obtain the finite number of intrinsic mode functions (IMFs) and residuals. Secondly, the fuzzy c-means is used to cluster the decomposed components, and then the deep belief network (DBN) is used to predict it. Finally, the reconstructed IMFs and residuals are the final prediction results. Six kinds of prediction models are compared, which are DBN prediction model, EMD-DBN prediction model, EEMD-DBN prediction model, CEEMD-DBN prediction model, ESMD-DBN prediction model, and the proposed model in this paper. The same sunspots time series are predicted with six kinds of prediction models. The experimental results show that the proposed model has better prediction accuracy and smaller error

Feature Extraction Method for Ship-Radiated Noise Based on Extreme-point Symmetric Mode Decomposition and Dispersion Entropy

175-183A novel feature extraction method for ship-radiated noise based on extreme-point symmetric mode decomposition (ESMD) and dispersion entropy (DE) is proposed in the present study. Firstly, ship-radiated noise signals were decomposed into a set of band-limited intrinsic mode functions (IMFs) by ESMD. Then, the correlation coefficient (CC) between each IMF and the original signal were calculated. Finally, the IMF with highest CC was selected to calculate DE as the feature vector. Comparing DE of the IMF with highest CC by empirical mode decomposition (EMD), ensemble empirical mode decomposition (EEMD) and ESMD, it is revealed that the proposed method can assist the feature extraction and classification recognition for ship-radiated noise

Prediction of underwater acoustic signals based on ESMD and ELM

357-362The local predictability of underwater acoustic signals plays an important role in underwater acoustic signal processing, as it is the basis for solving non-stationary signal detection. A prediction model of underwater acoustic signals based on extreme-point symmetric mode decomposition (ESMD) and extreme learning machine (ELM) is proposed. First, underwater acoustic signals are decomposed by ESMD to obtain a set of intrinsic model functions (IMFs). After IMFs are grouped, the training samples and forecast samples are obtained. Then, prediction model for training samples is established by using ELM to obtain the input layer, output layer weight vector and offset matrix. The trained ELM is used to predict the forecast sample to obtain component. Finally, the reconstructed IMFs and residuals are the final prediction results. The experimental results show that the proposed model is a good predictive model having better prediction accuracy and smaller error

Prediction of underwater acoustic signals based on ESMD and ELM

357-362The local predictability of underwater acoustic signals plays an important role in underwater acoustic signal processing, as it is the basis for solving non-stationary signal detection. A prediction model of underwater acoustic signals based on extreme-point symmetric mode decomposition (ESMD) and extreme learning machine (ELM) is proposed. First, underwater acoustic signals are decomposed by ESMD to obtain a set of intrinsic model functions (IMFs). After IMFs are grouped, the training samples and forecast samples are obtained. Then, prediction model for training samples is established by using ELM to obtain the input layer, output layer weight vector and offset matrix. The trained ELM is used to predict the forecast sample to obtain component. Finally, the reconstructed IMFs and residuals are the final prediction results. The experimental results show that the proposed model is a good predictive model having better prediction accuracy and smaller error