Double-head transformer neural network for molecular property prediction

AbstractExisting molecular property prediction methods based on deep learning ignore the generalization ability of the nonlinear representation of molecular features and the reasonable assignment of weights of molecular features, making it difficult to further improve the accuracy of molecular property prediction. To solve the above problems, an end-to-end double-head transformer neural network (DHTNN) is proposed in this paper for high-precision molecular property prediction. For the data distribution characteristics of the molecular dataset, DHTNN specially designs a new activation function, beaf, which can greatly improve the generalization ability of the nonlinear representation of molecular features. A residual network is introduced in the molecular encoding part to solve the gradient explosion problem and ensure that the model can converge quickly. The transformer based on double-head attention is used to extract molecular intrinsic detail features, and the weights are reasonably assigned for predicting molecular properties with high accuracy. Our model, which was tested on the MoleculeNet [1] benchmark dataset, showed significant performance improvements over other state-of-the-art methods.

OVPT: Optimal Viewset Pooling Transformer for 3D Object Recognition

Fusiform multi-scale pixel self-attention network for hyperspectral images reconstruction from a single RGB image

Multi-view SoftPool attention convolutional networks for 3D model classification

IntroductionExisting multi-view-based 3D model classification methods have the problems of insufficient view refinement feature extraction and poor generalization ability of the network model, which makes it difficult to further improve the classification accuracy. To this end, this paper proposes a multi-view SoftPool attention convolutional network for 3D model classification tasks.MethodsThis method extracts multi-view features through ResNest and adaptive pooling modules, and the extracted features can better represent 3D models. Then, the results of the multi-view feature extraction processed using SoftPool are used as the Query for the self-attentive calculation, which enables the subsequent refinement extraction. We then input the attention scores calculated by Query and Key in the self-attention calculation into the mobile inverted bottleneck convolution, which effectively improves the generalization of the network model. Based on our proposed method, a compact 3D global descriptor is finally generated, achieving a high-accuracy 3D model classification performance.ResultsExperimental results showed that our method achieves 96.96% OA and 95.68% AA on ModelNet40 and 98.57% OA and 98.42% AA on ModelNet10.DiscussionCompared with a multitude of popular methods, our algorithm model achieves the state-of-the-art classification accuracy.

Fusion of a Static and Dynamic Convolutional Neural Network for Multiview 3D Point Cloud Classification

Three-dimensional (3D) point cloud classification methods based on deep learning have good classification performance; however, they adapt poorly to diverse datasets and their classification accuracy must be improved. Therefore, FSDCNet, a neural network model based on the fusion of static and dynamic convolution, is proposed and applied for multiview 3D point cloud classification in this paper. FSDCNet devises a view selection method with fixed and random viewpoints, which effectively avoids the overfitting caused by the traditional fixed viewpoint. A local feature extraction operator of dynamic and static convolution adaptive weight fusion was designed to improve the model’s adaptability to different types of datasets. To address the problems of large parameters and high computational complexity associated with the current methods of dynamic convolution, a lightweight and adaptive dynamic convolution operator was developed. In addition, FSDCNet builds a global attention pooling, integrating the most crucial information on different view features to the greatest extent. Due to these characteristics, FSDCNet is more adaptable, can extract more fine-grained detailed information, and can improve the classification accuracy of point cloud data. The proposed method was applied to the ModelNet40 and Sydney Urban Objects datasets. In these experiments, FSDCNet outperformed its counterparts, achieving state-of-the-art point cloud classification accuracy. For the ModelNet40 dataset, the overall accuracy (OA) and average accuracy (AA) of FSDCNet in a single view reached 93.8% and 91.2%, respectively, which were superior to those values for many other methods using 6 and 12 views. FSDCNet obtained the best results for 6 and 12 views, achieving 94.6%, 93.3%, 95.3%, and 93.6% in OA and AA metrics, respectively. For the Sydney Urban Objects dataset, FSDCNet achieved an OA and F1 score of 81.2% and 80.1% in a single view, respectively, which were higher than most of the compared methods. In 6 and 12 views, FSDCNet reached an OA of 85.3% and 83.6% and an F1 score of 85.5% and 83.7%, respectively.

Multi-view dual attention network for 3D object recognition

AbstractThe existing view-based 3D object classification and recognition methods ignore the inherent hierarchical correlation and distinguishability of views, making it difficult to further improve the classification accuracy. In order to solve this problem, this paper proposes an end-to-end multi-view dual attention network framework for high-precision recognition of 3D objects. On one hand, we obtain three feature layers of query, key, and value through the convolution layer. The spatial attention matrix is generated by the key-value pairs of query and key, and each feature in the value of the original feature space branch is assigned different importance, which clearly captures the prominent detail features in the view, generates the view space shape descriptor, and focuses on the detail part of the view with the feature of category discrimination. On the other hand, a channel attention vector is obtained by compressing the channel information in different views, and the attention weight of each view feature is scaled to find the correlation between the target views and focus on the view with important features in all views. Integrating the two feature descriptors together to generate global shape descriptors of the 3D model, which has a stronger response to the distinguishing features of the object model and can be used for high-precision 3D object recognition. The proposed method achieves an overall accuracy of 96.6% and an average accuracy of 95.5% on the open-source ModelNet40 dataset, compiled by Princeton University when using Resnet50 as the basic CNN model. Compared with the existing deep learning methods, the experimental results demonstrate that the proposed method achieves state-of-the-art performance in the 3D object classification accuracy.

Multi-view attention-convolution pooling network for 3D point cloud classification

AbstractClassifying 3D point clouds is an important and challenging task in computer vision. Currently, classification methods using multiple views lose characteristic or detail information during the representation or processing of views. For this reason, we propose a multi-view attention-convolution pooling network framework for 3D point cloud classification tasks. This framework uses Res2Net to extract the features from multiple 2D views. Our attention-convolution pooling method finds more useful information in the input data related to the current output, effectively solving the problem of feature information loss caused by feature representation and the detail information loss during dimensionality reduction. Finally, we obtain the probability distribution of the model to be classified using a full connection layer and the softmax function. The experimental results show that our framework achieves higher classification accuracy and better performance than other contemporary methods using the ModelNet40 dataset.

Double Ghost Convolution Attention Mechanism Network: A Framework for Hyperspectral Reconstruction of a Single RGB Image

Current research on the reconstruction of hyperspectral images from RGB images using deep learning mainly focuses on learning complex mappings through deeper and wider convolutional neural networks (CNNs). However, the reconstruction accuracy of the hyperspectral image is not high and among other issues the model for generating these images takes up too much storage space. In this study, we propose the double ghost convolution attention mechanism network (DGCAMN) framework for the reconstruction of a single RGB image to improve the accuracy of spectral reconstruction and reduce the storage occupied by the model. The proposed DGCAMN consists of a double ghost residual attention block (DGRAB) module and optimal nonlocal block (ONB). DGRAB module uses GhostNet and PRELU activation functions to reduce the calculation parameters of the data and reduce the storage size of the generative model. At the same time, the proposed double output feature Convolutional Block Attention Module (DOFCBAM) is used to capture the texture details on the feature map to maximize the content of the reconstructed hyperspectral image. In the proposed ONB, the Argmax activation function is used to obtain the region with the most abundant feature information and maximize the most useful feature parameters. This helps to improve the accuracy of spectral reconstruction. These contributions enable the DGCAMN framework to achieve the highest spectral accuracy with minimal storage consumption. The proposed method has been applied to the NTIRE 2020 dataset. Experimental results show that the proposed DGCAMN method outperforms the spectral accuracy reconstructed by advanced deep learning methods and greatly reduces storage consumption.

Image Inpainting With Learnable Edge-Attention Maps

Alternately Updated Spectral–Spatial Convolution Network for the Classification of Hyperspectral Images

The connection structure in the convolutional layers of most deep learning-based algorithms used for the classification of hyperspectral images (HSIs) has typically been in the forward direction. In this study, an end-to-end alternately updated spectral–spatial convolutional network (AUSSC) with a recurrent feedback structure is used to learn refined spectral and spatial features for HSI classification. The proposed AUSSC includes alternating updated blocks in which each layer serves as both an input and an output for the other layers. The AUSSC can refine spectral and spatial features many times under fixed parameters. A center loss function is introduced as an auxiliary objective function to improve the discrimination of features acquired by the model. Additionally, the AUSSC utilizes smaller convolutional kernels than other convolutional neural network (CNN)-based methods to reduce the number of parameters and alleviate overfitting. The proposed method was implemented on four HSI data sets, as follows: Indian Pines, Kennedy Space Center, Salinas Scene, and Houston. Experimental results demonstrated that the proposed AUSSC outperformed the HSI classification accuracy obtained by state-of-the-art deep learning-based methods with a small number of training samples.

A Fast Dense Spectral–Spatial Convolution Network Framework for Hyperspectral Images Classification