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Predicting high temperature superconductors has long been a great challenge. A major difficulty is how to predict the transition temperature Tc of superconductors. Recently, progress in material informatics has led to a number of machine learning models predicting Tc, which greatly improves the efficiency of prediction. Unfortunately, prevailing models have not shown adequate physical rationality and generalization ability to find new high temperature superconductors, yet. In this work, in order to give a trustable prediction on the unexplored materials, we built a bond-sensitive graph neural network (BSGNN), which is optimized to process the information of chemical bond and electron interaction in the crystal lattice, to predict the Tc maximum of each type of superconducting materials. On the basis of the domain knowledge considered in the data preparation and algorithm design, our model revealed a relevance between the Tc-Tc maximum and chemical bonds. The results indicate that shorter bond length is favored by high Tc, which is in accordance with previous human experience. Moreover, it also shows that some specific chemical elements are favored by high Tc, which is beyond what human experts already knew. It gives a convenient guidance for searching high temperature superconductors in materials database, by ruling out the materials that could never have high Tc.

Recent progress in material data mining has been driven by high-capacity models trained on large datasets. However, collecting experimental data has been extremely costly owing to the amount of human effort and expertise required. Therefore, material researchers are often reluctant to easily disclose their private data, which leads to the problem of data island, and it is difficult to collect a large amount of data to train high-quality models. In this study, a material microstructure image feature extraction algorithm FedTransfer based on data privacy protection is proposed. The core contributions are as follows: 1) the federated learning algorithm is introduced into the polycrystalline microstructure image segmentation task to make full use of different user data to carry out machine learning, break the data island and improve the model generalization ability under the condition of ensuring the privacy and security of user data; 2) A data sharing strategy based on style transfer is proposed. By sharing style information of images that is not urgent for user confidentiality, it can reduce the performance penalty caused by the distribution difference of data among different users., Comment: 14 pages

In this work, we propose a novel unsupervised deep learning model to address multi-focus image fusion problem. First, we train an encoder-decoder network in unsupervised manner to acquire deep feature of input images. And then we utilize these features and spatial frequency to measure activity level and decision map. Finally, we apply some consistency verification methods to adjust the decision map and draw out fused result. The key point behind of proposed method is that only the objects within the depth-of-field (DOF) have sharp appearance in the photograph while other objects are likely to be blurred. In contrast to previous works, our method analyzes sharp appearance in deep feature instead of original image. Experimental results demonstrate that the proposed method achieves the state-of-art fusion performance compared to existing 16 fusion methods in objective and subjective assessment., Comment: technological report and fix some errors

Deep learning has driven a great progress in natural and biological image processing. However, in material science and engineering, there are often some flaws and indistinctions in material microscopic images induced from complex sample preparation, even due to the material itself, hindering the detection of target objects. In this work, we propose WPU-net that redesigns the architecture and weighted loss of U-Net, which forces the network to integrate information from adjacent slices and pays more attention to the topology in boundary detection task. Then, the WPU-net is applied into a typical material example, i.e., the grain boundary detection of polycrystalline material. Experiments demonstrate that the proposed method achieves promising performance and outperforms state-of-the-art methods. Besides, we propose a new method for object tracking between adjacent slices, which can effectively reconstruct 3D structure of the whole material. Finally, we present a material microscopic image dataset with the goal of advancing the state-of-the-art in image processing for material science., Comment: technical report

Recent progress in material data mining has been driven by high-capacity models trained on large datasets. However, collecting experimental data (real data) has been extremely costly since the amount of human effort and expertise required. Here, we develop a novel transfer learning strategy to address small or insufficient data problem. This strategy realizes the fusion of real and simulated data, and the augmentation of training data in data mining procedure. For a specific task of image segmentation, this strategy can generate synthetic images by fusing physical mechanism of simulated images and "image style" of real images. The result shows that the model trained with the acquired synthetic images and 35% of the real images outperforms the model trained on all real images. As the time required to generate synthetic data is almost negligible, this strategy is able to reduce the time cost of real data preparation by roughly 65%., Comment: 17 pages, technical report