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arXiv:2202.04238 · Physical Review Research

Parametric t-stochastic neighbor embedding with quantum neural network

Yoshiaki Kawase, Kosuke Mitarai, Keisuke Fujii

Published Dec 19, 2022• 14 citations
arXivHTMLPDF

Abstract

t-stochastic neighbor embedding (t-SNE) is a nonparametric data visualization method in classical machine learning. It maps the data from the high-dimensional space into a low-dimensional space, especially a two-dimensional plane, while maintaining the relationship or similarities between the surrounding points. In t-SNE, the initial position of the low-dimensional data is randomly determined, and the visualization is achieved by moving the low-dimensional data to minimize a cost function. Its variant called parametric t-SNE uses neural networks for this mapping. In this paper, we propose to use quantum neural networks for parametric t-SNE to reflect the characteristics of high-dimensional quantum data on low-dimensional data. We use fidelity-based metrics instead of Euclidean distance in calculating high-dimensional data similarity. To verify our proposed method, we visualize both classical (Iris dataset) and quantum (time-depending Hamiltonian dynamics) data for classification tasks. Since this method allows us to represent a quantum dataset in a higher dimensional Hilbert space by a quantum dataset in a lower dimension while keeping their similarity, the proposed method can also be used to compress quantum data for further quantum machine learning.

DOI
10.1103/physrevresearch.4.043199

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t-stochastic neighbor embedding (t-SNE) is a nonparametric data visualization method in classical machine learning. It maps the data from the high-dimensional space into a low-dimensional space, especially a two-dimensional plane, while maintaining the relationship or similarities between the surrounding points. In t-SNE, the initial position of the low-dimensional data is randomly determined, and the visualization is achieved by moving the low-dimensional data to minimize a cost function. Its variant called parametric t-SNE uses neural networks for this mapping. In this paper, we propose to use quantum neural networks for parametric t-SNE to reflect the characteristics of high-dimensional quantum data on low-dimensional data. We use fidelity-based metrics instead of Euclidean distance in calculating high-dimensional data similarity. To verify our proposed method, we visualize both classical (Iris dataset) and quantum (time-depending Hamiltonian dynamics) data for classification tasks. Since this method allows us to represent a quantum dataset in a higher dimensional Hilbert space by a quantum dataset in a lower dimension while keeping their similarity, the proposed method can also be used to compress quantum data for further quantum machine learning.
t-distributed stochastic neighbor embedding (t-SNE) is a nonlinear dimensionality reduction algorithm that preserves local similarity by matching probability distributions between high- and low-dimensional spaces. Owing to its ability to capture complex manifold structures, t-SNE has become a widely used technique for high-dimensional data visualization. However, it still faces significant computational challenges when dealing with large-scale datasets. In this paper, we present a quantum-enhanced t-SNE algorithm that achieves a quadratic speedup with respect to the number of data samples. Specifically, three unitary operators are constructed using quantum arithmetic and comparators to compute the probability distributions. By integrating them with the Hadamard transform, the gradients of the Kullback-Leibler divergence can be efficiently computed. Moreover, since a complete quantum procedure is provided, our method surpasses the performance of existing quantum variants.
In quantum and quantum-inspired machine learning, a key step is to embed the data in the quantum space known as Hilbert space. Studying quantum kernel function, which defines the distances among the samples in the Hilbert space, belongs to the fundamental topics in this direction. In this work, we propose a tunable quantum-inspired kernel function (QIKF) named rescaled logarithmic fidelity (RLF) and a non-parametric algorithm for the semi-supervised learning in the quantum space. The rescaling takes advantage of the non-linearity of the kernel to tune the mutual distances of samples in the Hilbert space, and meanwhile avoids the exponentially-small fidelities between quantum many-qubit states. Being non-parametric excludes the possible effects from the variational parameters, and evidently demonstrates the properties of the kernel itself. Our results on the hand-written digits (MNIST dataset) and movie reviews (IMDb dataset) support the validity of our method, by comparing with the standard fidelity as the QIKF as well as several well-known non-parametric algorithms (naive Bayes classifiers, k-nearest neighbors, and spectral clustering). High accuracy is demonstrated, particularly for the unsupervised case with no labeled samples and the few-shot cases with small numbers of labeled samples. With the visualizations by t-stochastic neighbor embedding, our results imply that the machine learning in the Hilbert space complies with the principles of maximal coding rate reduction, where the low-dimensional data exhibit within-class compressibility, between-class discrimination, and overall diversity. The proposed QIKF and semi-supervised algorithm can be further combined with the parametric models such as tensor networks, quantum circuits, and quantum neural networks.
Classical machine learning algorithms can provide insights on high-dimensional processes that are hardly accessible with conventional approaches. As a notable example, t -distributed Stochastic Neighbor Embedding ( t -SNE) represents the state of the art for visualization of data sets of large dimensionality. An interesting question is then if this algorithm can provide useful information also in quantum experiments with very large Hilbert spaces. Leveraging these considerations, in this work we apply t -SNE to probe the spatial distribution of n -photon events in m -dimensional Hilbert spaces, showing that its findings can be beneficial for validating genuine quantum interference in boson sampling experiments. In particular, we find that nonlinear dimensionality reduction is capable to capture distinctive features in the spatial distribution of data related to multi-photon states with different evolutions. We envisage that this approach will inspire further theoretical investigations, for instance for a reliable assessment of quantum computational advantage.
In quantum and quantum-inspired machine learning, the very first step is to embed the data in quantum space known as Hilbert space. Developing quantum kernel function (QKF), which defines the distances among the samples in the Hilbert space, belongs to the fundamental topics for machine learning. In this work, we propose the rescaled logarithmic fidelity (RLF) and a non-parametric active learning in the quantum space, which we name as RLF-NAL. The rescaling takes advantage of the non-linearity of the kernel to tune the mutual distances of samples in the Hilbert space, and meanwhile avoids the exponentially-small fidelities between quantum many-qubit states. We compare RLF-NAL with several well-known non-parametric algorithms including naive Bayes classifiers, kkk-nearest neighbors, and spectral clustering. Our method exhibits excellent accuracy particularly for the unsupervised case with no labeled samples and the few-shot cases with small numbers of labeled samples. With the visualizations by t-SNE, our results imply that the machine learning in the Hilbert space complies with the principles of maximal coding rate reduction, where the low-dimensional data exhibit within-class compressibility, between-class discrimination, and overall diversity. Our proposals can be applied to other quantum and quantum-inspired machine learning, including the methods using the parametric models such as tensor networks, quantum circuits, and quantum neural networks.
Quantum computing is expected to fundamentally change computer systems in the future. Recently, a new research topic of quantum computing is the hybrid quantum–classical approach for machine learning, in which a parameterized quantum circuit, also called quantum neural network (QNN), is optimized by a classical computer. This hybrid approach can have the benefits of both quantum computing and classical machine learning methods. In this early stage, it is of crucial importance to understand the new characteristics of quantum neural networks for different machine learning tasks. In this paper, we will study quantum neural networks for the task of classifying images, which are high-dimensional spatial data. In contrast to previous evaluations of low-dimensional or scalar data, we will investigate the impacts of practical encoding types, circuit depth, bias term, and readout on classification performance on the popular MNIST image dataset. Various interesting findings on learning behaviors of different QNNs are obtained through experimental results. To the best of our knowledge, this is the first work that considers various QNN aspects for image data.
Over the last decade, representation learning, which embeds complex information extracted from large amounts of data into dense vector spaces, has emerged as a key technique in machine learning. Among other applications, it has been a key building block for large language models and advanced computer vision systems based on contrastive learning. A core component of representation learning systems is the projection head, which maps the original embeddings into different, often compressed spaces, while preserving the similarity relationship between vectors. In this paper, we propose a quantum-inspired projection head that includes a corresponding quantum-inspired similarity metric. Specifically, we map classical embeddings onto quantum states in Hilbert space and introduce a quantum circuit-based projection head to reduce embedding dimensionality. To evaluate the effectiveness of this approach, we extended the BERT language model by integrating our projection head for embedding compression. We compared the performance of embeddings, which were compressed using our quantum-inspired projection head, with those compressed using a classical projection head on information retrieval tasks using the TREC 2019 and TREC 2020 Deep Learning benchmarks. The results demonstrate that our quantum-inspired method achieves competitive performance relative to the classical method while utilizing 32 times fewer parameters. Furthermore, when trained from scratch, it notably excels, particularly on smaller datasets. This work not only highlights the effectiveness of the quantum-inspired approach but also emphasizes the utility of efficient, ad hoc low-entanglement circuit simulations within neural networks as a powerful quantum-inspired technique.