Optimizing neural networks using spider monkey optimization algorithm for intrusion detection system.

The constantly changing nature of cyber threats presents unprecedented difficulties for people, institutions, and governments across the globe. Cyber threats are a major concern in today's digital world like hacking, phishing, malware, and data breaches. These can compromise anyone's personal information and harm the organizations. An intrusion detection system plays a vital responsibility to identifying abnormal network traffic and alerts the system in real time if any malicious activity is detected. In our present research work Artificial Neural Networks (ANN) layers are optimized with the execution of Spider Monkey Optimization (SMO) to detect attacks or intrusions in the system. The developed model SMO-ANN is examined using publicly available dataset Luflow, CIC-IDS 2017, UNR-IDD and NSL -KDD to classify the network traffic as benign or attack type. In the binary Luflow dataset and the multiclass NSL-KDD dataset, the proposed model SMO-ANN has the maximum accuracy, at 100% and 99%, respectively.

Molecule generation toward target protein (SARS-CoV-2) using reinforcement learning-based graph neural network via knowledge graph.

AI-driven approaches are widely used in drug discovery, where candidate molecules are generated and tested on a target protein for binding affinity prediction. However, generating new compounds with desirable molecular properties such as Quantitative Estimate of Drug-likeness (QED) and Dopamine Receptor D2 activity (DRD2) while adhering to distinct chemical laws is challenging. To address these challenges, we proposed a graph-based deep learning framework to generate potential therapeutic drugs targeting the SARS-CoV-2 protein. Our proposed framework consists of two modules: a novel reinforcement learning (RL)-based graph generative module with knowledge graph (KG) and a graph early fusion approach (GEFA) for binding affinity prediction. The first module uses a gated graph neural network (GGNN) model under the RL environment for generating novel molecular compounds with desired properties and a custom-made KG for molecule screening. The second module uses GEFA to predict binding affinity scores between the generated compounds and target proteins. Experiments show how fine-tuning the GGNN model under the RL environment enhances the molecules with desired properties to generate 100 % valid and 100 % unique compounds using different scoring functions. Additionally, KG-based screening reduces the search space of generated candidate molecules by 96.64 % while retaining 95.38 % of promising binding molecules against SARS-CoV-2 protein, i.e., 3C-like protease (3CLpro). We achieved a binding affinity score of 8.185 from the top rank of generated compound. In addition, we compared top-ranked generated compounds to Indinavir on different parameters, including drug-likeness and medicinal chemistry, for qualitative analysis from a drug development perspective. Supplementary Information: The online version contains supplementary material available at 10.1007/s13721-023-00409-2.