arXiv subjects

Paul Haubenwallner

Publications and source records attributed to Paul Haubenwallner.

4 recordsLinked to original sources

arXiv2026

Factorizing binary tensors into quantics tensor trains

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.

physics.comp-ph↗

arXiv2026

trainsum -- A Python package for quantics tensor trains

We present trainsum, a versatile Python package for doing computations with multidimensional quantics tensor trains: https://github.com/fh-igd-iet/trainsum. Using the Array API standard together with opt_einsum, trainsum allows the effortless approximation of tensors or functions by tensor trains independent of their shape or dimensionality. Once approximated, our package can perform normal arithmetic operations with quantics tensor trains, including addition, Einstein summations and element-wise transformations. It can be therefore used for generic computations with applications in simulation, data compression, machine learning and data analysis.

cs.MS↗

arXiv2025

Fully numerical Hartree-Fock calculations for atoms and small molecules with quantics tensor trains

We present a fully numerical framework for the optimization of molecule-specific quantum chemical basis functions within the quantics tensor train format using a finite-difference scheme. The optimization is driven by solving the Hartree-Fock equations (HF) with the density-matrix renormalization group (DMRG) algorithm on Cartesian grids that are iteratively refined. In contrast to the standard way of tackling the mean-field problem by expressing the molecular orbitals as linear combinations of atomic orbitals (LCAO) our method only requires as much basis functions as there are electrons within the system. Benchmark calculations for atoms and molecules with up to ten electrons show excellent agreement with LCAO calculations with large basis sets supporting the validity of the tensor network approach. Our work therefore offers a promising alternative to well-established HF-solvers and could pave the way to define highly accurate, fully numerical, molecule-adaptive basis sets, which, in the future, could lead to benefits for post-HF calculations.

physics.chem-ph↗

arXiv2024

Reduced Sampling Overhead for Probabilistic Error Cancellation by Pauli Error Propagation

Quantum error mitigation is regarded as a possible path to near-term quantum utility. The methods under the quantum error mitigation umbrella term, such as probabilistic error cancellation (PEC), zero-noise extrapolation (ZNE) or Clifford data regression (CDR) are able to significantly reduce the error for the estimation of expectation values, although at an exponentially scaling cost, i.e., in the sampling overhead. In this work, we present a method to reduce the sampling overhead of PEC through Pauli error propagation combined with classical preprocessing. Our findings indicate that this method significantly reduces sampling overheads for Clifford circuits, leveraging the well-defined interaction between the Clifford group and Pauli noise. Additionally, we show that the method is applicable to non-Clifford circuits, though with more limited effectiveness, primarily constrained by the number of non-Clifford gates present in the circuit. We further provide examples of Clifford sub-circuits commonly encountered in relevant calculations, such as resource state generation in measurement-based quantum computing.

quant-ph↗