Matvei Anoshin

Matvei Anoshin, Asel Sagingalieva, Christopher Mansell et al.

The drug design process currently requires considerable time and resources to develop each new compound that enters the market. This work develops an application of hybrid quantum generative models based on the integration of parametrized quantum circuits into known molecular generative adversarial networks, and proposes quantum cycle architectures that improve model performance and stability during training. Through extensive experimentation on benchmark drug design datasets, QM9 and PC9, the introduced models are shown to outperform the previously achieved scores. Most prominently, the new scores indicate an increase of up to 30% in the quantitative estimation of druglikeness. The new hybrid quantum machine learning algorithms, as well as the achieved scores of pharmacokinetic properties, contribute to the development of fast and accurate drug discovery processes.

Olga Tsurkan, Aleksandra Konstantinova, Aleksandr Sedykh et al.

Predictive maintenance in aerospace heavily relies on accurate estimation of the remaining useful life of jet engines. In this paper, we introduce a Hybrid Quantum Recurrent Neural Network framework, combining Quantum Long Short-Term Memory layers with classical dense layers for Remaining Useful Life forecasting on NASA's Commercial Modular Aero-Propulsion System Simulation dataset. Each Quantum Long Short-Term Memory gate replaces conventional linear transformations with Quantum Depth-Infused circuits, allowing the network to learn high-frequency components more effectively. Experimental results demonstrate that, despite having fewer trainable parameters, the Hybrid Quantum Recurrent Neural Network achieves up to a 5% improvement over a Recurrent Neural Network based on stacked Long Short-Term Memory layers in terms of mean root mean squared error and mean absolute error. Moreover, a thorough comparison of our method with established techniques, including Random Forest, Convolutional Neural Network, and Multilayer Perceptron, demonstrates that our approach, which achieves a Root Mean Squared Error of 15.46, surpasses these baselines by approximately 13.68%, 16.21%, and 7.87%, respectively. Nevertheless, it remains outperformed by certain advanced joint architectures. Our findings highlight the potential of hybrid quantum-classical approaches for robust time-series forecasting under limited data conditions, offering new avenues for enhancing reliability in predictive maintenance tasks.

Matvei Anoshin, Olga Tsurkan, Vadim Lopatkin et al.

The stabilization of time series processes is a crucial problem that is ubiquitous in various industrial fields. The application of machine learning to its solution can have a decisive impact, improving both the quality of the resulting stabilization with less computational resources required. In this work, we present a simple pipeline consisting of two neural networks: the oracle predictor and the optimizer, proposing a substitution of the point-wise values optimization to the problem of the neural network training, which successfully improves stability in terms of the temperature control by about 3 times compared to ordinary solvers.