Abstract. This work proposes an efficient numerical approach for compressing a high-dimensional discrete distribution function into a non-negative tensor train (NTT) format. The two settings we consider are variational inference and density estimation, whereby one has access to either the unnormalized analytic formula of the distribution or the samples generated from the distribution. In particular, the compression is done through a two-stage approach. In the first stage, we use existing subroutines to encode the distribution function in a tensor train format. In the second stage, we use an NTT ansatz to fit the obtained tensor train. For the NTT fitting procedure, we use a log barrier term to ensure the positivity of each tensor component and then utilize a second-order alternating minimization scheme to accelerate convergence. In practice, we observe that the proposed NTT fitting procedure exhibits drastically faster convergence than an alternative multiplicative update method that has been previously proposed. Through challenging numerical experiments, we show that our approach can accurately compress target distribution functions. Reproducibility of computational results. This paper has been awarded the “SIAM Reproducibility Badge: Code and Data Available” as a recognition that the authors have followed reproducibility principles valued by SISC and the scientific computing community. Code and data that allow readers to reproduce the results in this paper are available at https://github.com/Xun-Tang123/Non_Negative_Tensor_Train and in the supplementary materials ( Non_Negative_Tensor_Train-main.zip [51.4MB]), linked from the main article webpage. [Formula: see text]
Abstract. This work proposes an efficient numerical approach for compressing a high-dimensional discrete distribution function into a non-negative tensor train (NTT) format. The two settings we consider are variational inference and density estimation, whereby one has access to either the unnormalized analytic formula of the distribution or the samples generated from the distribution. In particular, the compression is done through a two-stage approach. In the first stage, we use existing subroutines to encode the distribution function in a tensor train format. In the second stage, we use an NTT ansatz to fit the obtained tensor train. For the NTT fitting procedure, we use a log barrier term to ensure the positivity of each tensor component and then utilize a second-order alternating minimization scheme to accelerate convergence. In practice, we observe that the proposed NTT fitting procedure exhibits drastically faster convergence than an alternative multiplicative update method that has been previously proposed. Through challenging numerical experiments, we show that our approach can accurately compress target distribution functions. Reproducibility of computational results. This paper has been awarded the “SIAM Reproducibility Badge: Code and Data Available” as a recognition that the authors have followed reproducibility principles valued by SISC and the scientific computing community. Code and data that allow readers to reproduce the results in this paper are available at https://github.com/Xun-Tang123/Non_Negative_Tensor_Train and in the supplementary materials ( Non_Negative_Tensor_Train-main.zip [51.4MB]), linked from the main article webpage. [Formula: see text]
In this work, we present an efficient method to compress a high-dimensional discrete probability function, i.e., a probability tensor, into a non-negative hierarchical Tucker format. The methodology is a two-stage procedure. In the first stage, we take an existing interpolation method to compress the target tensor into a hierarchical Tucker (HT) in a manner similar to the CUR decomposition for low-rank matrix reconstruction. In the second stage, we fit the first-stage output against a non-negative hierarchical Tucker ansatz using a second-order method tailored specifically for this setting. When the tensor is of order d, both stages admit an O(d) computational complexity, and therefore the proposed methodology readily extends into high-dimensional settings. Numerical experiments show success in compressing various high-dimensional probability tensors.
Tensors with unit Frobenius norm are fundamental objects in many fields, including scientific computing and quantum physics, which are able to represent normalized eigenvectors and pure quantum states. While the tensor train decomposition provides a powerful low-rank format for tackling high-dimensional problems, it does not intrinsically enforce the unit-norm constraint. To address this, we introduce the normalized tensor train (NTT) decomposition, which aims to approximate a tensor by unit-norm tensors in tensor train format. The low-rank structure of NTT decomposition not only saves storage and computational cost but also preserves the underlying unit-norm structure. We prove that the set of fixed-rank NTT tensors forms a smooth manifold, and the corresponding Riemannian geometry is derived, paving the way for geometric methods. We propose NTT-based methods for low-rank tensor recovery, high-dimensional eigenvalue problem, estimation of stabilizer rank, and calculation of the minimum output Rényi 2-entropy of quantum channels. Numerical experiments demonstrate the superior efficiency and scalability of the proposed NTT-based methods.
The era of exascale computing opens new venues for innovations and discoveries in many scientific, engineering, and commercial fields. However, with the exaflops also come the extra-large high-dimensional data generated by highperformance computing. High-dimensional data is presented as multidimensional arrays, aka tensors. The presence of latent (not directly observable) structures in the tensor allows a unique representation and compression of the data by classical tensor factorization techniques. However, the classical tensor methods are not always stable or they can be exponential in their memory requirements, which makes them not suitable for high-dimensional tensors. Tensor train (TT) is a state-of-the-art tensor network introduced for factorization of high-dimensional tensors. TT transforms the initial high-dimensional tensor in a network of three-dimensional tensors that requires only a linear storage. Many real-world data, such as, density, temperature, population, probability, etc., are non-negative and for an easy interpretation, the algorithms preserving non-negativity are preferred. Here, we introduce a distributed non-negative tensor-train and demonstrate its scalability and the compression on synthetic and realworld big datasets.
Abstract. We propose a particle-based workflow for approximating the time-dependent law of finite-volume discretizations of the Dean–Kawasaki model. After discretization, the state is a nonnegative vector whose total mass is conserved by the finite-volume scheme, and it is therefore supported on a probability simplex. To enable tensor-network density estimation, we map the simplex to an unconstrained Euclidean space using a centered logarithmic transform and then apply a wavelet transform that organizes degrees of freedom by spatial scale. On the transformed variables, we fit the probability density with a functional hierarchical tensor over a wavelet basis, i.e., a hierarchical-Tucker/tree-tensor-network representation of the coefficient tensor of a fixed univariate basis expansion. We illustrate the method on 1D and 2D examples with [Formula: see text] degrees of freedom, including cases with external potentials and pairwise interactions. The method accurately captures the site-wise correlations and other observables of the true model. Reproducibility of computational results. This paper has been awarded the “SIAM Reproducibility Badge: Code and data available” as a recognition that the authors have followed reproducibility principles valued by SISC and the scientific computing community. Code and data that allow readers to reproduce the results in this paper are available at https://github.com/Xun-Tang123/FHT_for_deans_equation and in the supplementary materials ( FHT_for_deans_equation-main.zip [27.5MB]). [Formula: see text]
Quantification of stochastic or quantum systems by a joint probability density or wave function is a notoriously difficult computational problem, since the solution depends on all possible states (or realizations) of the system. Due to this combinatorial flavor, even a system containing as few as ten particles may yield as many as 1010 discretized states. None of even modern supercomputers are capable to cope with this curse of dimensionality straightforwardly, when the amount of quantum particles, for example, grows up to more or less interesting order of hundreds. A traditional approach for a long time was to avoid models formulated in terms of probabilistic functions, and simulate particular system realizations in a randomized process. Since different times in different communities, data-sparse methods came into play. Generally, they aim to define all data points indirectly, by a map from a low amount of representers, and recast all operations (e.g. linear system solution) from the initial data to the effective parameters. The most advanced techniques can be applied (at least, tried) to any given array, and do not rely explicitly on its origin. The current work contributes further progress to this area in the particular direction: tensor product methods for separation of variables. The separation of variables has a long history, and is based on the following elementary concept: a function of many variables may be expanded as a product of univariate functions. On the discrete level, a function is encoded by an array of its values, or a tensor. Therefore, instead of a huge initial array, the separation of variables allows to work with univariate factors with much less efforts. The dissertation contains a short overview of existing tensor representations: canonical PARAFAC, Hierarchical Tucker, Tensor Train (TT) formats, as well as the artificial tensorisation, resulting in the Quantized Tensor Train (QTT) approximation method. The contribution of the dissertation consists in both theoretical constructions and practical numerical algorithms for high-dimensional models, illustrated on the examples of the Fokker-Planck and the chemical master equations. Both arise from stochastic dynamical processes in multiconfigurational systems, and govern the evolution of the probability function in time. A special focus is put on time propagation schemes and their properties related to tensor product methods. We show that these applications yield large-scale systems of linear equations, and prove analytical separable representations of the involved functions and operators. We propose a new combined tensor format (QTT-Tucker), which descends from the TT format (hence TT algorithms may be generalized smoothly), but provides complexity reduction by an order of magnitude. We develop a robust iterative solution algorithm, constituting most advantageous properties of the classical iterative methods from numerical analysis and alternating density matrix renormalization group (DMRG) techniques from quantum physics. Numerical experiments confirm that the new method is preferable to DMRG algorithms. It is as fast as the simplest alternating schemes, but as reliable and accurate as the Krylov methods in linear algebra.
The conversion of functions to quantics tensor trains is a well-established procedure and can either be done analytically or numerically. Numerical conversion schemes are based on singular value decompositions, where access to the full tensor is necessary, or on cross interpolations, which only depend on sampling a function. When dealing with large binary tensors, the first approach becomes prohibitively expensive while the second approach might fail to converge due to the non-smoothness of the data. In this work, we provide insight into how binary tensors, where the positions of the non-zero entries are defined by some Boolean function, can be converted into quantics tensor trains with a hybrid analytical-numerical approach utilizing the rank product. The proposed construction scheme nicely reproduces results from the literature and can be used for discrete convolutions, the construction of discrete wavelet transforms or slicing and assignment operations of multi-dimensional quantics tensor trains.