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arXiv:2505.06419

Initialization and training of matrix product state probabilistic models

Xun Tang, Yuehaw Khoo, Lexing Ying B

Published May 9, 2025• 0 citations
arXivHTMLPDF

Abstract

Modeling probability distributions via the wave function of a quantum state is central to quantum-inspired generative modeling and quantum state tomography (QST). We investigate a common failure mode in training randomly initialized matrix product states (MPS) using gradient descent. The results show that the trained MPS models do not accurately predict the strong interactions between boundary sites in periodic spin chain models. In the case of the Born machine algorithm, we further identify a causality trap, where the trained MPS models resemble causal models that ignore the non-local correlations in the true distribution. We propose two complementary strategies to overcome the training failure -- one through optimization and one through initialization. First, we develop a natural gradient descent (NGD) method, which approximately simulates the gradient flow on tensor manifolds and significantly enhances training efficiency. Numerical experiments show that NGD avoids local minima in both Born machines and in general MPS tomography. Remarkably, we show that NGD with line search can converge to the global minimum in only a few iterations. Second, for the BM algorithm, we introduce a warm-start initialization based on the TTNS-Sketch algorithm. We show that gradient descent under a warm initialization does not encounter the causality trap and admits rapid convergence to the ground truth.

DOI
10.48550/arxiv.2505.06419

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Modeling probability distributions via the wave function of a quantum state is central to quantum-inspired generative modeling and quantum state tomography (QST). We investigate a common failure mode in training randomly initialized matrix product states (MPS) using gradient descent. The results show that the trained MPS models do not accurately predict the strong interactions between boundary sites in periodic spin chain models. In the case of the Born machine algorithm, we further identify a causality trap, where the trained MPS models resemble causal models that ignore the non-local correlations in the true distribution. We propose two complementary strategies to overcome the training failure -- one through optimization and one through initialization. First, we develop a natural gradient descent (NGD) method, which approximately simulates the gradient flow on tensor manifolds and significantly enhances training efficiency. Numerical experiments show that NGD avoids local minima in both Born machines and in general MPS tomography. Remarkably, we show that NGD with line search can converge to the global minimum in only a few iterations. Second, for the BM algorithm, we introduce a warm-start initialization based on the TTNS-Sketch algorithm. We show that gradient descent under a warm initialization does not encounter the causality trap and admits rapid convergence to the ground truth.
Tensor-network Born machines (TNBMs) are quantum-inspired generative models for learning data distributions. Using tensor-network contraction and optimization techniques, the model learns an efficient representation of the target distribution, capable of capturing complex correlations with a compact parameterization. Despite their promise, the optimization of TNBMs presents several challenges. A key bottleneck of TNBMs is the logarithmic nature of the loss function commonly used for this problem. The single-tensor logarithmic optimization problem cannot be solved analytically, necessitating an iterative approach that slows down convergence and increases the risk of getting trapped in one of many non-optimal local minima. In this paper, we present an improved second-order optimization technique for TNBM training, which significantly enhances convergence rates and the quality of the optimized model. Our method employs a modified Newton's method on the manifold of normalized states, incorporating regularization of the loss landscape to mitigate local minima issues. We demonstrate the effectiveness of our approach by training a one-dimensional matrix product state (MPS) on both discrete and continuous datasets, showcasing its advantages in terms of stability and efficiency, and demonstrating its potential as a robust and scalable approach for optimizing quantum-inspired generative models.
Tensor Networks are a relatively new machine learning approach. The architectures proposed initially are inspired by approaches from quantum many-body physics simulations. One common layout is the matrix product state (MPS) also known as a tensor train optimized with gradient descent techniques. We introduce a global normalization condition, so that the MPS represents a quantum state. We investigate two optimization methods that find the locally optimal tensors and compare them regarding their effectiveness. One is based on gradient descent and the other on an adaptation of DMRG.
Matrix product operators (MPOs) provide a scalable approach for quantum state tomography (QST) by offering a compact representation of many-body mixed states with limited entanglement, using only a number of parameters that scales polynomially with the system size. In this paper, we study QST for quantum density matrices that can be represented by MPOs. We first derive an equivalent characterization of Hermiticity in terms of the MPO core tensors and show that the coefficient tensor of an MPO under the Pauli or generalized Gell-Mann basis admits a real-valued low tensor-train (TT) rank structure. This establishes an explicit connection between MPO-based QST and noisy low-rank tensor completion. Motivated by this formulation, we develop an online Riemannian gradient descent (oRGD) algorithm that sequentially incorporates measurement data during the reconstruction process. With a proper initialization, we prove that oRGD converges linearly to the target MPO and succeeds with a number of distinct measurement settings that scales quadratically with the system size. As a byproduct, our analysis also yields a significantly improved sample complexity bound for the low TT rank tensor completion task. Furthermore, we propose a tailored spectral initialization method and establish its theoretical guarantee. Numerical experiments on several classes of quantum states validate the effectiveness and scalability of the proposed method.
Quantum machine learning (QML) is a rapidly expanding field that merges the principles of quantum computing with the techniques of machine learning. One of the powerful mathematical frameworks in this domain is tensor networks. These networks are used to approximate high-order tensors by contracting tensors with lower ranks. Initially developed for simulating quantum systems, tensor networks have become integral to quantum computing and, by extension, to QML. Drawing inspiration from these quantum methods, specifically the Matrix Product States (MPS), we apply them in a classical machine learning setting. Their ability to efficiently represent and manipulate complex, high-dimensional data makes them effective in a supervised learning framework. Here, we present an MPS model, in which the MPS functions as both a classifier and a generator. The dual functionality of this novel MPS model permits a strategy that enhances the traditional training of supervised MPS models. This framework is inspired by generative adversarial networks and is geared towards generating more realistic samples by reducing outliers. In addition, our contributions offer insights into the mechanics of tensor network methods for generation tasks. Specifically, we discuss alternative embedding functions and a new sampling method from non-normalized MPSs.
Quantum circuit Born machines based on instantaneous quantum polynomial-time (IQP) circuits are natural candidates for quantum generative modeling, both because of their probabilistic structure and because IQP sampling is provably classically hard in certain regimes. Recent proposals focus on training IQP-QCBMs using Maximum Mean Discrepancy (MMD) losses built from low-body Pauli-ZZZ correlators, but the effect of initialization on the resulting optimization landscape remains poorly understood. In this work, we address this by first proving that the MMD loss landscape suffers from barren plateaus for random full-angle-range initializations of IQP circuits. We then establish lower bounds on the loss variance for identity and an unbiased data-agnostic initialization. We then additionally consider a data-dependent initialization that is better aligned with the target distribution and, under suitable assumptions, yields provable gradients and generally converges quicker to a good minimum (as indicated by our training of circuits with 150 qubits on genomic data). Finally, as a by-product, the developed variance lower bound framework is applicable to a general class of non-linear losses, offering a broader toolset for analyzing warm-starts in quantum machine learning.
Tensor networks, which are originally developed for characterizing complex quantum many-body systems, have recently emerged as a powerful framework for capturing high-dimensional probability distributions with strong physical interpretability. This paper systematically studies matrix product states (MPS) for generative modeling and shows that unitary MPS, which is a tensor-network architecture that is both simple and expressive, offers clear benefits for unsupervised learning by reducing ambiguity in parameter updates and improving efficiency. To overcome the inefficiency of standard gradient-based MPS training, we develop a Riemannian optimization approach that casts probabilistic modeling as an optimization problem with manifold constraints, and further derive an efficient space-decoupling algorithm. Experiments on Bars-and-Stripes and EMNIST datasets demonstrate fast adaptation to data structure, stable updates, and strong performance while maintaining the efficiency and expressive power of MPS.