Drug-target binding affinity prediction plays an important role in the early stages of drug discovery, which can infer the strength of interactions between new drugs and new targets. However, the performance of previous computational models is limited by the following drawbacks. The learning of drug representation relies only on supervised data without considering the information in the molecular graph itself. Moreover, most previous studies tended to design complicated representation learning modules, while uniformity used to measure representation quality is ignored. In this study, we propose GraphCL-DTA, a graph contrastive learning with molecular semantics for drug-target binding affinity prediction. This graph contrastive learning framework replaces the dropout-based data augmentation strategy by performing data augmentation in the embedding space, thereby better preserving the semantic information of the molecular graph. A more essential and effective drug representation can be learned through this graph contrastive framework without additional supervised data. Next, we design a new loss function that can be directly used to adjust the uniformity of drug and target representations. By directly optimizing the uniformity of representations, the representation quality of drugs and targets can be improved. The effectiveness of the above innovative elements is verified on two real datasets, KIBA and Davis. Compared with the GraphDTA model, the relative improvement of the GraphCL-DTA model on the two datasets is 2.7% and 4.5%. The graph contrastive learning framework and uniformity function in the GraphCL-DTA model can be embedded into other computational models as independent modules to improve their generalization capability.
The computational drug repositioning aims to discover new uses for marketed drugs, which can accelerate the drug development process and play an important role in the existing drug discovery system. However, the number of validated drug-disease associations is scarce compared to the number of drugs and diseases in the real world. Too few labeled samples will make the classification model unable to learn effective latent factors of drugs, resulting in poor generalization performance. In this work, we propose a multi-task self-supervised learning framework for computational drug repositioning. The framework tackles label sparsity by learning a better drug representation. Specifically, we take the drug-disease association prediction problem as the main task, and the auxiliary task is to use data augmentation strategies and contrast learning to mine the internal relationships of the original drug features, so as to automatically learn a better drug representation without supervised labels. And through joint training, it is ensured that the auxiliary task can improve the prediction accuracy of the main task. More precisely, the auxiliary task improves drug representation and serving as additional regularization to improve generalization. Furthermore, we design a multi-input decoding network to improve the reconstruction ability of the autoencoder model. We evaluate our model using three real-world datasets. The experimental results demonstrate the effectiveness of the multi-task self-supervised learning framework, and its predictive ability is superior to the state-of-the-art model.
Electronic component recognition plays an important role in industrial production, electronic manufacturing, and testing. In order to address the problem of the low recognition recall and accuracy of traditional image recognition technologies (such as principal component analysis (PCA) and support vector machine (SVM)), this paper selects multiple deep learning networks for testing and optimizes the SqueezeNet network. The paper then presents an electronic component recognition algorithm based on the Faster SqueezeNet network. This structure can reduce the size of network parameters and computational complexity without deteriorating the performance of the network. The results show that the proposed algorithm performs well, where the Receiver Operating Characteristic Curve (ROC) and Area Under the Curve (AUC), capacitor and inductor, reach 1.0. When the FPR is less than or equal level, the TPR is greater than or equal to 0.99; its reasoning time is about 2.67 ms, achieving the industrial application level in terms of time consumption and performance.
26 April 2007 in Neural Computing and Applications
Genke Yang was born in Shanxi, China. He received his B.S. degree in mathematics from Shanxi University in 1984, his M.S. degree in
mathematics from Xi’nan Normal University in 1987, and his Ph.D. degree in systems engineering from Xi’an Jiaotong University in 1998. He has been a tenured professor with the Department of Automation, Shanghai Jiao Tong
University, Shanghai, China. He is currently an executive dean of Ningbo Artificial Intelligent Institute. His research interests include supply chain management,
logistics, production planning and scheduling, discrete event dynamics
systems, and computer integrated manufacturing.
Genke Yang was born in Shanxi, China. He received his B.S. degree in mathematics from Shanxi University in 1984, his M.S. degree in
mathematics from Xi’nan Normal University in 1987, and his Ph.D. degree in systems engineering from Xi’an Jiaotong University in 1998. He has been a tenured professor with the Department of Automation, Shanghai Jiao Tong
University, Shanghai, China. He is currently an executive dean of Ningbo Artificial Intelligent Institute. His research interests include supply chain management,
logistics, production planning and scheduling, discrete event dynamics
systems, and computer integrated manufacturing.