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arXiv:1911.12548

A Data Driven Approach to Learning The Hamiltonian Matrix in Quantum Mechanics

Jordan Burns, Maughan, David, Yih Sung

Published Nov 28, 2019• 0 citations
arXivHTMLPDF

Abstract

We present a new machine learning technique which calculates a real-valued, time independent, finite dimensional Hamiltonian matrix from only experimental data. A novel cost function is given along with a proof that the cost function has the theoretically correct Hamiltonian as a global minimum. We present results based on data simulated on a classical computer and results based on simulations of quantum systems on IBM's ibmqx2 quantum computer. We conclude with a discussion on the limitations of this data driven framework, as well as several possible extensions of this work. We also note that algorithm presented in this article not only serves as an example of using domain knowledge to design a machine learning framework, but also as an example of using domain knowledge to improve the speed of such algorithm.

DOI
10.48550/arxiv.1911.12548

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We present a new machine learning technique which calculates a real-valued, time independent, finite dimensional Hamiltonian matrix from only experimental data. A novel cost function is given along with a proof that the cost function has the theoretically correct Hamiltonian as a global minimum. We present results based on data simulated on a classical computer and results based on simulations of quantum systems on IBM's ibmqx2 quantum computer. We conclude with a discussion on the limitations of this data driven framework, as well as several possible extensions of this work. We also note that algorithm presented in this article not only serves as an example of using domain knowledge to design a machine learning framework, but also as an example of using domain knowledge to improve the speed of such algorithm.
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Machine Learning (ML) models are trained using historical data to classify new, unseen data. However, traditional computing resources often struggle to handle the immense amount of data, commonly known as Big Data, within a reasonable time frame. Quantum Computing (QC) provides a novel approach to information processing, offering the potential to process classical data exponentially faster than classical computing through quantum algorithms. By mapping Quantum Machine Learning (QML) algorithms into the quantum mechanical domain, we can potentially achieve exponential improvements in data processing speed, reduced resource requirements, and enhanced accuracy and efficiency. In this article, we delve into both the QC and ML fields, exploring the interplay of ideas between them, as well as the current capabilities and limitations of hardware. We investigate the history of quantum computing, examine existing QML algorithms, and present a simplified procedure for setting up simulations of QML algorithms, making it accessible and understandable for readers. Furthermore, we conduct simulations on a dataset using both traditional machine learning and quantum machine learning approaches. We then compare their respective performances by utilizing a quantum simulator.
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Quantum machine learning combines quantum computing with machine learning to solve complex computational problems more efficiently than classical approaches. This survey provides an introduction to the foundations, algorithms, frameworks, data and applications of quantum machine learning, serving as a resource for researchers and practitioners. We begin by reviewing existing surveys to identify gaps that this work addresses, followed by a detailed discussion of the foundational principles of quantum mechanics and machine learning essential for quantum machine learning. Key algorithms are examined, highlighting their mechanisms, advantages, and applications across various domains. Current frameworks and platforms for implementing quantum machine learning algorithms are explored, emphasizing their unique features and suitability for different contexts. Existing quantum datasets for practical usage are also reported and commented on. This survey also reviews over 135 articles, categorized into theoretical and practical contributions, to identify key advances, limitations, and application areas within quantum machine learning. Critical challenges such as hardware limitations, error rates, and scalability are analyzed to detect the obstacles that must be addressed for practical deployment. By synthesizing these elements into a structured overview, this survey aims at serving as both an introduction and a guide for advancing research and development in this disruptive field.
One of the key challenges in quantum machine learning is finding relevant machine learning tasks with a provable quantum advantage. A natural candidate for this is learning unknown Hamiltonian dynamics. Here, we tackle the supervised learning version of this problem, where we are given random examples of the inputs to the dynamics as classical data, paired with the expectation values of some observable after the time evolution, as corresponding output labels. The task is to replicate the corresponding input-output function. We prove that this task can yield provable exponential classical-quantum learning advantages under common complexity assumptions in natural settings. To design our quantum learning algorithms, we introduce a new method, which we term \textit{\subroutine}~algorithm for parametrized circuit functions, and which may be of independent interest. Furthermore, we discuss the limitations of generalizing our method to arbitrary quantum dynamics while maintaining provable guarantees. We explain that significant generalizations are impossible under certain complexity-theoretic assumptions, but nonetheless, we provide a heuristic kernel method, where we trade-off provable correctness for broader applicability.