11.5LGMay 17, 2023
Generation of 3D Molecules in Pockets via Language ModelWei Feng, Lvwei Wang, Zaiyun Lin et al.
Generative models for molecules based on sequential line notation (e.g. SMILES) or graph representation have attracted an increasing interest in the field of structure-based drug design, but they struggle to capture important 3D spatial interactions and often produce undesirable molecular structures. To address these challenges, we introduce Lingo3DMol, a pocket-based 3D molecule generation method that combines language models and geometric deep learning technology. A new molecular representation, fragment-based SMILES with local and global coordinates, was developed to assist the model in learning molecular topologies and atomic spatial positions. Additionally, we trained a separate noncovalent interaction predictor to provide essential binding pattern information for the generative model. Lingo3DMol can efficiently traverse drug-like chemical spaces, preventing the formation of unusual structures. The Directory of Useful Decoys-Enhanced (DUD-E) dataset was used for evaluation. Lingo3DMol outperformed state-of-the-art methods in terms of drug-likeness, synthetic accessibility, pocket binding mode, and molecule generation speed.
3.3ITJan 27, 2022
Reinforcement Learning-Empowered Mobile Edge Computing for 6G Edge IntelligencePeng Wei, Kun Guo, Ye Li et al.
Mobile edge computing (MEC) is considered a novel paradigm for computation-intensive and delay-sensitive tasks in fifth generation (5G) networks and beyond. However, its uncertainty, referred to as dynamic and randomness, from the mobile device, wireless channel, and edge network sides, results in high-dimensional, nonconvex, nonlinear, and NP-hard optimization problems. Thanks to the evolved reinforcement learning (RL), upon iteratively interacting with the dynamic and random environment, its trained agent can intelligently obtain the optimal policy in MEC. Furthermore, its evolved versions, such as deep RL (DRL), can achieve higher convergence speed efficiency and learning accuracy based on the parametric approximation for the large-scale state-action space. This paper provides a comprehensive research review on RL-enabled MEC and offers insight for development in this area. More importantly, associated with free mobility, dynamic channels, and distributed services, the MEC challenges that can be solved by different kinds of RL algorithms are identified, followed by how they can be solved by RL solutions in diverse mobile applications. Finally, the open challenges are discussed to provide helpful guidance for future research in RL training and learning MEC.
2.9CRMay 24, 2020
Rethinking Blockchains in the Internet of Things Era from a Wireless Communication PerspectiveHongxin Wei, Wei Feng, Yunfei Chen et al.
Due to the rapid development of Internet of Things (IoT), a massive number of devices are connected to the Internet. For these distributed devices in IoT networks, how to ensure their security and privacy becomes a significant challenge. The blockchain technology provides a promising solution to protect the data integrity, provenance, privacy, and consistency for IoT networks. In blockchains, communication is a prerequisite for participants, which are distributed in the system, to reach consensus. However, in IoT networks, most of the devices communicate through wireless links, which are not always reliable. Hence, the communication reliability of IoT devices influences the system security. In this article, we rethink the roles of communication and computing in blockchains by accounting for communication reliability. We analyze the tradeoff between communication reliability and computing power in blockchain security, and present a lower bound to the computing power that is needed to conduct an attack with a given communication reliability. Simulation results show that adversarial nodes can succeed in tampering a block with less computing power by hindering the propagation of blocks from other nodes.