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arXiv:2404.08823 · SIAM Journal on Scientific Computing

Solving High-Dimensional Kolmogorov Backward Equations with Functional Hierarchical Tensor Operators

Xun Tang, Leah Collis, Lexing Ying B

Published Mar 3, 2025• 0 citations
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Abstract

Abstract. Solving high-dimensional partial differential equations necessitates methods free of exponential scaling in the dimension of the problem. This work introduces a tensor network approach for the Kolmogorov backward equation via approximating directly the Markov operator. We show that the high-dimensional Markov operator can be obtained under a functional hierarchical tensor (FHT) ansatz with a hierarchical sketching algorithm. When the terminal condition admits an FHT ansatz, the proposed operator outputs an FHT ansatz for the PDE solution through an efficient functional tensor network contraction procedure. In addition, the proposed operator-based approach also provides an efficient way to solve the Kolmogorov forward equation when the initial distribution is in an FHT ansatz. We apply the proposed approach successfully to two challenging time-dependent Ginzburg–Landau models with hundreds of variables.

DOI
10.1137/24m1654075

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Abstract. Solving high-dimensional partial differential equations necessitates methods free of exponential scaling in the dimension of the problem. This work introduces a tensor network approach for the Kolmogorov backward equation via approximating directly the Markov operator. We show that the high-dimensional Markov operator can be obtained under a functional hierarchical tensor (FHT) ansatz with a hierarchical sketching algorithm. When the terminal condition admits an FHT ansatz, the proposed operator outputs an FHT ansatz for the PDE solution through an efficient functional tensor network contraction procedure. In addition, the proposed operator-based approach also provides an efficient way to solve the Kolmogorov forward equation when the initial distribution is in an FHT ansatz. We apply the proposed approach successfully to two challenging time-dependent Ginzburg–Landau models with hundreds of variables.
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The numerical representation of high-dimensional Gibbs distributions is challenging due to the curse of dimensionality manifesting through the intractable normalization constant calculations. This work addresses this challenge by performing a particle-based high-dimensional parametric density estimation subroutine, and the input to the subroutine is Gibbs samples generated by leveraging advanced sampling techniques. Specifically, to generate Gibbs samples, we employ ensemble-based annealed importance sampling, a population-based approach for sampling multimodal distributions. These samples are then processed using functional hierarchical tensor sketching, a tensor-network-based density estimation method for high-dimensional distributions, to obtain the numerical representation of the Gibbs distribution. We successfully apply the proposed approach to complex Ginzburg-Landau models with hundreds of variables. In particular, we show that the approach proposed is successful at addressing the metastability issue under difficult numerical cases.
In this paper, we propose a general framework for solving high-dimensional partial differential equations with tensor networks. Our approach uses Monte-Carlo simulations to update the solution and re-estimates the new solution from samples as a tensor-network using a recently proposed tensor train sketching technique. We showcase the versatility and flexibility of our approach by applying it to two specific scenarios: simulating the Fokker-Planck equation through Langevin dynamics and quantum imaginary time evolution via auxiliary-field quantum Monte Carlo. We also provide convergence guarantees and numerical experiments to demonstrate the efficacy of the proposed method.
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In this work, we implement a tensor network-based quantum algorithm to solve unsteady, nonlinear partial differential equations (PDEs). The challenge lies in how to effectively represent, encode, process, and evolve the nonlinear system of PDEs on quantum computers. We will discuss the new techniques using the compressible 1-dimensional (1D) Burgers' equation as an example, because it represents the fundamental nonlinear feature and yet removes certain complexity in physics, allowing us to focus on the design of quantum algorithms. Previous attempts to solve nonlinear PDEs in quantum computation have often involved storing multiple copies of solutions or employing linearizations. Neither is practical due to exponential scaling with evolution time or insufficient solution accuracy. Our framework is based on matrix product states (MPSs) and matrix product operators (MPOs). For example, the velocity field is represented by MPS, whereas the linear and nonlinear spatial differential terms of the velocity field are processed by MPOs. Our primary focus herein is to verify and validate the various tensor network components of the algorithm using solutions obtained by the classical algorithms on high performance computing (HPC) architectures. We use a classical time marching method to demonstrate the functionality of the tensor network operations to model the PDE and their robustness with the time evolution of the system. Our classical simulation results demonstrate the utility of tensor network-based operations in modeling nonlinear PDEs and highlight the necessity as well as potential advantages of using quantum simulations for these techniques.
We introduce a new SVD-based tensor decomposition method for tensor networks with arbitrary graph topologies, extending classical hierarchical SVD-based techniques to networks with cycles and general connectivity. We also introduce addition and rounding procedures for traceable tensor graphs, enabling step-rounding time integration of high-dimensional PDEs directly in graph format, with rank truncation controlled to a prescribed tolerance at every time step. We demonstrate the new method on the decomposition of multivariate functions and on the numerical solution of the Fokker-Planck equation, and find that the graph-format representation attains comparable or better accuracy than the classical tensor train and hierarchical Tucker tensor formats, while using substantially fewer degrees of freedom at lower computational cost.