相关论文: Compression of the electron repulsion integral ten…
We propose a scheme for an exact efficient transformation of a tensor product state of many identically prepared qubits into a state of a logarithmically small number of qubits. Using a quadratic number of elementary quantum gates we…
We have developed a reduced-cost non-Dyson third-order algebraic diagrammatic construction theory for the electron-attachment problem based on state-specific frozen natural orbitals. Density fitting and truncated natural auxiliary functions…
The GW approximation of many-body perturbation theory is an accurate method for computing electron addition and removal energies of molecules and solids. In a canonical implementation, however, its computational cost is $O(N^4)$ in the…
We present fast numerical methods for computing the Hessenberg reduction of a unitary plus low-rank matrix $A=G+U V^H$, where $G\in \mathbb C^{n\times n}$ is a unitary matrix represented in some compressed format using $O(nk)$ parameters…
Tensor network states provide an efficient class of states that faithfully capture strongly correlated quantum models and systems in classical statistical mechanics. While tensor networks can now be seen as becoming standard tools in the…
High-order Hadamard-form entropy stable multidimensional summation-by-parts discretizations of the Euler and compressible Navier-Stokes equations are considerably more expensive than the standard divergence-form discretization. In search of…
We present an extension of the summation-by-parts (SBP) framework to tensor-product spectral-element operators in collapsed coordinates. The proposed approach enables the construction of provably stable discretizations of arbitrary order…
The tensor-train (TT) decomposition is widely used to compress large tensors into a more compact form by exploiting their inherent data structures. A fundamental approach for constructing the TT format is the well-known TT-SVD method, which…
In this paper, we introduce a method for multivariate function approximation using function evaluations, Chebyshev polynomials, and tensor-based compression techniques via the Tucker format. We develop novel randomized techniques to…
The paper presents a REDUCE program for the simplification of tensor expressions that are considered as formal indexed objects. The proposed algorithm is based on the consideration of tensor expressions as vectors in some linear space. This…
Many recent tensor network algorithms apply unitary operators to parts of a tensor network in order to reduce entanglement. However, many of the previously used iterative algorithms to minimize entanglement can be slow. We introduce an…
A direct orbital optimization method is presented for density functional calculations of excited electronic states using either a real space grid or a plane wave basis set. The method is variational, provides atomic forces in the excited…
Tensor train (TT) decomposition provides a space-efficient representation for higher-order tensors. Despite its advantage, we face two crucial limitations when we apply the TT decomposition to machine learning problems: the lack of…
Recent studies have demonstrated the great potential of reduced order modeling for parametric dynamical systems using low-rank tensor decompositions (LRTD). In particular, within the framework of interpolatory tensorial reduced order models…
In this paper we propose new techniques to sample arbitrary third-order tensors, with an objective of speeding up tensor algorithms that have recently gained popularity in machine learning. Our main contribution is a new way to select, in a…
We compute the structure of a self-gravitating torus with polytropic equation-of-state (EOS) rotating in an imposed centrifugal potential. The Poisson-solver is based on isotropic multigrid with optimal covering factor (fluid…
We present a novel route to constructing cost-efficient semi-empirical approximations for the non-additive kinetic energy in subsystem density functional theory. The developed methodology is based on the use of Slater determinants composed…
Recently, a tensor-on-tensor (ToT) regression model has been proposed to generalize tensor recovery, encompassing scenarios like scalar-on-tensor regression and tensor-on-vector regression. However, the exponential growth in tensor…
We present a subtraction method utilizing the N-jettiness observable, Tau_N, to perform QCD calculations for arbitrary processes at next-to-next-to-leading order (NNLO). Our method employs soft-collinear effective theory (SCET) to determine…
We consider the problem of low-rank decomposition of incomplete multiway tensors. Since many real-world data lie on an intrinsically low dimensional subspace, tensor low-rank decomposition with missing entries has applications in many data…