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Lecture notes in computer science

Machine Learning Using a Hybrid Quantum Classical Algorithm with Amplitude Data Encoding

Sebnem Gül-Ficici, Maximilian Spiegel, Ulrich Göhner

Published Jan 1, 2025• 0 citations
Publisher
DOI
10.1007/978-3-031-82957-4_16

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To accelerate the process of materials design, materials science has increasingly used data driven techniques to extract information from collected data. Specially, machine learning (ML) algorithms, which span the ML discipline, have demonstrated ability to predict various properties of materials with the level of accuracy similar to explicit calculation of quantum mechanical theories, but with significantly reduced run time and computational resources. Within ML, graph neural networks have emerged as an important algorithm within the field of machine learning, since they are capable of predicting accurately a wide range of important physical, chemical and electronic properties due to their higher learning ability based on the graph representation of material and molecular descriptors through the aggregation of information embedded within the graph. In parallel with the development of state of the art classical machine learning applications, the fusion of quantum computing and machine learning have created a new paradigm where classical machine learning model can be augmented with quantum layers which are able to encode high dimensional data more efficiently. Leveraging the structure of existing algorithms, we developed a unique and novel gradient free hybrid quantum classical convoluted graph neural network (HyQCGNN) to predict formation energies of perovskite materials. The performance of our hybrid statistical model is competitive with the results obtained purely from a classical convoluted graph neural network, and other classical machine learning algorithms, such as XGBoost. Consequently, our study suggests a new pathway to explore how quantum feature encoding and parametric quantum circuits can yield drastic improvements of complex ML algorithm like graph neural network.
This research explores the integration of quantum computing with classical machine learning to enhance data classification tasks using Quantum Neural Networks (QNN) and Parameterized Quantum Circuits (PQC). The hybrid approach leverages the advantages of both quantum and classical systems to improve the efficiency and accuracy of data processing. In this model, data is encoded into qubits using amplitude encoding, representing input vectors as amplitudes of quantum states. The QNN is initialized by placing the qubits in superposition using Hadamard gates, followed by data encoding with parameterized rotational gates that map classical data to quantum states using rotation angles. PQC plays a central role by applying layers of parameterized quantum operations to process data in the quantum space. These parameters are optimized during the training process, where a quadratic loss function minimizes the error between the predicted quantum states and the true class labels using gradient descent. Experiments conducted on the MNIST dataset show that the hybrid the hybrid quantum-classical neural network (QCNN) with PQC achieves a classification accuracy of over 95%, highlighting its potential in machine learning applications. The results demonstrate that integrating quantum computing with classical machine learning enhances performance in complex data analysis tasks due to the exponential growth of quantum state space and the parallelism of quantum systems, making hybrid models promising for computer vision and classification tasks.