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arXiv:1903.00556

Variational Quantum Circuit Model for Knowledge Graphs Embedding

Yunpu Ma, Volker Tresp, Liming Zhao, Yuyi Wang

Published Feb 19, 2019• 0 citations
arXivHTMLPDF

Abstract

In this work, we propose the first quantum Ansätze for the statistical relational learning on knowledge graphs using parametric quantum circuits. We introduce two types of variational quantum circuits for knowledge graph embedding. Inspired by the classical representation learning, we first consider latent features for entities as coefficients of quantum states, while predicates are characterized by parametric gates acting on the quantum states. For the first model, the quantum advantages disappear when it comes to the optimization of this model. Therefore, we introduce a second quantum circuit model where embeddings of entities are generated from parameterized quantum gates acting on the pure quantum state. The benefit of the second method is that the quantum embeddings can be trained efficiently meanwhile preserving the quantum advantages. We show the proposed methods can achieve comparable results to the state-of-the-art classical models, e.g., RESCAL, DistMult. Furthermore, after optimizing the models, the complexity of inductive inference on the knowledge graphs might be reduced with respect to the number of entities.

DOI
10.48550/arxiv.1903.00556

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In this work, we propose the first quantum Ansätze for the statistical relational learning on knowledge graphs using parametric quantum circuits. We introduce two types of variational quantum circuits for knowledge graph embedding. Inspired by the classical representation learning, we first consider latent features for entities as coefficients of quantum states, while predicates are characterized by parametric gates acting on the quantum states. For the first model, the quantum advantages disappear when it comes to the optimization of this model. Therefore, we introduce a second quantum circuit model where embeddings of entities are generated from parameterized quantum gates acting on the pure quantum state. The benefit of the second method is that the quantum embeddings can be trained efficiently meanwhile preserving the quantum advantages. We show the proposed methods can achieve comparable results to the state-of-the-art classical models, e.g., RESCAL, DistMult. Furthermore, after optimizing the models, the complexity of inductive inference on the knowledge graphs might be reduced with respect to the number of entities.
Abstract In this work, the first quantum Ansätze for the statistical relational learning on knowledge graphs using parametric quantum circuits are proposed. Two types of variational quantum circuits for knowledge graph embedding are introduced. Inspired by the classical representation learning, latent features for entities are first considered as coefficients of quantum states, while predicates are characterized by parametric gates acting on the quantum states. For the first model, the quantum advantages disappear when it comes to the optimization of this model. Therefore, a second quantum circuit model is introduced where embeddings of entities are generated from parameterized quantum gates acting on the pure quantum state. The benefit of the second method is that the quantum embeddings can be trained efficiently meanwhile preserving the quantum advantages. It is shown that the proposed methods can achieve comparable results to the state‐of‐the‐art classical models, for example, RESCAL , DistMult . Furthermore, after optimizing the models, the complexity of inductive inference on the knowledge graphs might be reduced with respect to the number of entities.
Embedding of a knowledge graph(KG) entities and relations in the form of vectors is an important aspect for the manipulation of the KG database for several downstream tasks, such as link prediction, knowledge graph completion, and recommendation. Because of the growing size of the knowledge graph databases, it has become a daunting task for the classical computer to train a model efficiently. Quantum computer can help speedup the embedding process of the KGs by encoding the entities into a variational quantum circuit of polynomial depth. Usually, the time complexity for such variational circuit-dependent quantum classical algorithms for each epoch is O(Npoly(logM)), whereNNNis number of elements in the knowledge graph andMMMis the number of features of each entities of the knowledge graph. In this article we exploit additional quantum advantage by training multiple elements of KG in superpositions, thereby reducing the computing time further for the knowledge graph embedding model.
Variational Quantum Algorithms (VQAs) combine quantum circuits with classical optimization to tackle problems that may benefit from the capabilities of near-term quantum hardware. In knowledge graph embedding, recent proposals based on this approach follow a similar overall architecture but differ in the way they compute the score function and in the number of qubits they require. One design uses n+1n+1n+1 qubits and obtains the score through a switch test on an ancillary qubit, while another employs 2n+12n+12n+1 qubits and applies a swap test between two registers. In both cases, entities and relations are represented in a Hilbert space of dimension d=2nd = 2^nd=2n, with comparable computational cost and the same mean squared error loss. This work introduces a unified framework that captures the two schemes and makes it possible to explore new variants. Within this setting, we propose an alternative that keeps the intuitive meaning of the score function while dispensing with ancillary qubits and entangled measurements. The result is a model better suited to current NISQ devices, reducing hardware demands without sacrificing interpretability.
Knowledge graph is a collection of facts, known as triples(head, relation, tail), which are represented in form of a network, where nodes are entities and edges are relations among the respective head and tail entities. Embedding of knowledge graph for facilitating downstream tasks such as knowledge graph completion, link prediction, recommendation, has been a major area of research recently in classical machine learning. Because the size of knowledge graphs are becoming larger, one of the natural choices is to exploit quantum computing for knowledge graph embedding. Recently, a hybrid quantum classical model for knowledge graph embedding has been studied in which a variational quantum circuit is trained. One of the important aspects in knowledge graph embedding is the sampling of negative triples, which plays a crucial role in efficient training of the model. In classical machine learning various negative sampling strategies have been studied. In quantum knowledge graph embedding model, although we can use these strategies in principle, it is natural to ask if we can exploit quantum advantage in negative sampling. In this article we study such a negative sampling strategy, which exploits quantum superposition, and evaluate the model's performance with a knowledge graph database.
Variational Quantum Algorithms have emerged as promising tools for solving optimization problems on quantum computers. These algorithms leverage a parametric quantum circuit called ansatz, where its parameters are adjusted by a classical optimizer with the goal of optimizing a certain cost function. However, a significant challenge lies in designing effective circuits for addressing specific problems. In this study, we leverage the powerful and flexible Reinforcement Learning paradigm to train an agent capable of autonomously generating quantum circuits that can be used as ansatzes in variational algorithms to solve optimization problems. The agent is trained on diverse problem instances, including Maximum Cut, Maximum Clique and Minimum Vertex Cover, built from different graph topologies and sizes. Our analysis of the circuits generated by the agent and the corresponding solutions shows that the proposed method is able to generate effective ansatzes. While our goal is not to propose any new specific ansatz, we observe how the agent has discovered a novel family of ansatzes effective for Maximum Cut problems, which we call RyzR_{yz}Ryz​-connected. We study the characteristics of one of these ansatzes by comparing it against state-of-the-art quantum algorithms across instances of varying graph topologies, sizes, and problem types. Our results indicate that the RyzR_{yz}Ryz​-connected circuit achieves high approximation ratios for Maximum Cut problems, further validating our proposed agent. In conclusion, our study highlights the potential of Reinforcement Learning techniques in assisting researchers to design effective quantum circuits which could have applications in a wide number of tasks.
Quantum machine learning has made remarkable progress in many important tasks. However, the gate complexity of the initial state preparation is seldom considered in lots of quantum machine learning algorithms, making them non-end-to-end. Herein, we propose a quantum algorithm for the node embedding problem that maps a node graph’s topological structure to embedding vectors. The resulting quantum embedding state can be used as an input for other quantum machine learning algorithms. With O(log(N)) qubits to store the information of N nodes, our algorithm will not lose quantum advantage for the subsequent quantum information processing. Moreover, owing to the use of a parameterized quantum circuit with O(poly(log(N))) depth, the resulting state can serve as an efficient quantum database. In addition, we explored the measurement complexity of the quantum node embedding algorithm, which is the main issue in training parameters, and extended the algorithm to capture high-order neighborhood information between nodes. Finally, we experimentally demonstrated our algorithm on an nuclear magnetic resonance quantum processor to solve a graph model.