Kai Li

h-index14
2papers
771citations

2 Papers

1.2BMFeb 20, 2023
Molecular design method based on novel molecular representation and variational auto-encoder

Li Kai, Li Ning, Zhang Wei et al.

Based on the traditional VAE, a novel neural network model is presented, with the latest molecular representation, SELFIES, to improve the effect of generating new molecules. In this model, multi-layer convolutional network and Fisher information are added to the original encoding layer to learn the data characteristics and guide the encoding process, which makes the features of the data hiding layer more aggregated, and integrates the Long Short Term Memory neural network (LSTM) into the decoding layer for better data generation, which effectively solves the degradation phenomenon generated by the encoding layer and decoding layer of the original VAE model. Through experiments on zinc molecular data sets, it is found that the similarity in the new VAE is 8.47% higher than that of the original ones. SELFIES are better at generating a variety of molecules than the traditional molecular representation, SELFIES. Experiments have shown that using SELFIES and the new VAE model presented in this paper can improve the effectiveness of generating new molecules.

4.1LGApr 14, 2025
Undermining Federated Learning Accuracy in EdgeIoT via Variational Graph Auto-Encoders

Kai Li, Shuyan Hu, Bochun Wu et al.

EdgeIoT represents an approach that brings together mobile edge computing with Internet of Things (IoT) devices, allowing for data processing close to the data source. Sending source data to a server is bandwidth-intensive and may compromise privacy. Instead, federated learning allows each device to upload a shared machine-learning model update with locally processed data. However, this technique, which depends on aggregating model updates from various IoT devices, is vulnerable to attacks from malicious entities that may inject harmful data into the learning process. This paper introduces a new attack method targeting federated learning in EdgeIoT, known as data-independent model manipulation attack. This attack does not rely on training data from the IoT devices but instead uses an adversarial variational graph auto-encoder (AV-GAE) to create malicious model updates by analyzing benign model updates intercepted during communication. AV-GAE identifies and exploits structural relationships between benign models and their training data features. By manipulating these structural correlations, the attack maximizes the training loss of the federated learning system, compromising its overall effectiveness.