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Quantum functional analysis and tensor products

A. I︠a︡. Khelemskiĭ

Published Jan 1, 2017• 0 citations
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Tensor product decompositions with optimal separation rank provide an interesting alternative to traditional Gaussian-type basis functions in electronic structure calculations. We discuss various applications for a new compression algorithm, based on the Newton method, which provides for a given tensor the optimal tensor product or so-called best separable approximation for fixed Kronecker rank. In combination with a stable quadrature scheme for the Coulomb interaction, tensor product formats enable an efficient evaluation of Coulomb integrals. This is demonstrated by means of best separable approximations for the electron density and Hartree potential of small molecules, where individual components of the tensor product can be efficiently represented in a wavelet basis. We present a fairly detailed numerical analysis, which provides the basis for further improvements of this novel approach. Our results suggest a broad range of applications within density fitting schemes, which have been recently successfully applied in quantum chemistry.

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We study the approximation of functions by tensor networks (TNs). We show that Lebesgue $L^p$-spaces in one dimension can be identified with tensor product spaces of arbitrary order through tensorization. We use this tensor product structure to define subsets of $L^p$ of rank-structured functions of finite representation complexity. These subsets are then used to define different approximation classes of tensor networks, associated with different measures of complexity. These approximation classes are shown to be quasi-normed linear spaces. We study some elementary properties and relationships of said spaces. In part II of this work, we will show that classical smoothness (Besov) spaces are continuously embedded into these approximation classes. We will also show that functions in these approximation classes do not possess any Besov smoothness, unless one restricts the depth of the tensor networks. The results of this work are both an analysis of the approximation spaces of TNs and a study of the expressivity of a particular type of neural networks (NN) -- namely feed-forward sum-product networks with sparse architecture. The input variables of this network result from the tensorization step, interpreted as a particular featuring step which can also be implemented with a neural network with a specific architecture. We point out interesting parallels to recent results on the expressivity of rectified linear unit (ReLU) networks -- currently one of the most popular type of NNs.

•Jul 4, 2020•0 citations
Tensor product decompositions with optimal separation rank provide an interesting alternative to traditional Gaussian-type basis functions in electronic structure calculations. We discuss various applications for a new compression algorithm, based on the Newton method, which provides for a given tensor the optimal tensor product or so-called best separable approximation for fixed Kronecker rank. In combination with a stable quadrature scheme for the Coulomb interaction, tensor product formats enable an efficient evaluation of Coulomb integrals. This is demonstrated by means of best separable approximations for the electron density and Hartree potential of small molecules, where individual components of the tensor product can be efficiently represented in a wavelet basis. We present a fairly detailed numerical analysis, which provides the basis for further improvements of this novel approach. Our results suggest a broad range of applications within density fitting schemes, which have been recently successfully applied in quantum chemistry.
Quantum computing is fundamentally based on the mathematical structure of complex Hilbert spaces, linear operators, tensor products, and unitary transformations. Among these concepts, tensor products provide the formal mechanism for constructing the state space of composite quantum systems, whereas linear and unitary operators describe quantum transformations, measurements, and computational gates. This article examines the mathematical relationship between linear operators and tensor products and analyzes their role in the formation, manipulation, and characterization of quantum entanglement. Particular attention is given to two-qubit systems, separable and entangled states, Schmidt decomposition, controlled operations, and the role of non-factorizable operators in quantum circuits. The analysis demonstrates that tensor products perform a dual function: they provide the mathematical representation of composite systems and enable the construction of local operations acting on individual subsystems. At the same time, genuinely entangling transformations, such as the controlled-NOT operation, cannot in general be represented as a single tensor product of independent local operators. Recent research further demonstrates that tensor-product and operator-Schmidt decompositions can be used to characterize operator entanglement, reduce circuit complexity, and construct efficient representations of quantum processes. The results establish that linear algebra and tensor-product structures are not merely formal tools but constitute the mathematical foundation connecting quantum entanglement with quantum computation.
We study the approximation of functions by tensor networks (TNs). We show that Lebesgue LpL^pLp-spaces in one dimension can be identified with tensor product spaces of arbitrary order through tensorization. We use this tensor product structure to define subsets of LpL^pLp of rank-structured functions of finite representation complexity. These subsets are then used to define different approximation classes of tensor networks, associated with different measures of complexity. These approximation classes are shown to be quasi-normed linear spaces. We study some elementary properties and relationships of said spaces. In part II of this work, we will show that classical smoothness (Besov) spaces are continuously embedded into these approximation classes. We will also show that functions in these approximation classes do not possess any Besov smoothness, unless one restricts the depth of the tensor networks. The results of this work are both an analysis of the approximation spaces of TNs and a study of the expressivity of a particular type of neural networks (NN) -- namely feed-forward sum-product networks with sparse architecture. The input variables of this network result from the tensorization step, interpreted as a particular featuring step which can also be implemented with a neural network with a specific architecture. We point out interesting parallels to recent results on the expressivity of rectified linear unit (ReLU) networks -- currently one of the most popular type of NNs.