Pournami P N

The past few years have witnessed machine learning techniques take the limelight in multiple research domains. One such domain that has reaped the benefits of machine learning is computer-aided drug discovery, where the search space for candidate drug molecules is decreased using methods such as virtual screening. Current state-of-the-art sequential neural network models have shown promising results and we would like to replicate similar results with virtual screening using the encoded molecular information known as simplified molecular-input line-entry system (SMILES). Our work includes the use of attention-based sequential models — the long short-term memory with attention and an optimized version of the transformer network specifically designed to deal with SMILES (ChemBERTa). We also propose the “Overall Screening Efficacy”, an averaging metric that aggregates and encapsulates the model performance over multiple datasets. We found an overall improvement of about 27% over the benchmark model, which relied on parallelized random forests.

Network-on-Chip (NoC) has become a cost-effective communication interconnect for Tiled Chip Multicore Processor systems. The communication between cores is done through packet exchange. As the computational intensity of applications increases, the amount of packet exchange between cores will also increase. The improper routing of these packets will result in high congestion thereby degrading the system performance. This marks the need for congestion-aware routing in NoC. In the real world, the applications running in NoC create diverse traffic, which in turn creates challenges in routing. Such challenges have resulted in more researchers relying on machine learning algorithms to tackle them. However, the issues pertaining to storage overhead and packet latency prevail in such methodologies. This paper presents an adaptive routing algorithm DeepNR, which uses a deep reinforcement learning approach. The proposed approach considers network information for state representation, routing directions for actions, and queuing delay for reward function. Experiments carried out on synthetic as well as real-time traffics to demonstrate the effectiveness and efficiency of DeepNR using the Gem5 simulator. The results obtained for DeepNR indicate a reduction of up to 21.25% and 44% in overall packet latency under high traffic conditions on real and synthetic traffic respectively, as compared to the existing approaches. Also, DeepNR achieves a throughput of above 90% in both the traffic scenarios.