Related papers: A CPD-enabled low-scaling environment solver in a …
Tensor hypercontraction is a method that allows the representation of a high-rank tensor as a product of lower-rank tensors. In this paper, we show how tensor hypercontraction can be applied to both the electron repulsion integral (ERI)…
We present an embedding approach to treat local electron correlation effects in periodic environments. In a single, consistent framework, our plane-wave based scheme embeds a local high-level correlation calculation (here Coupled Cluster…
We consider the problem of downlink channel estimation for intelligent reflecting surface (IRS)-assisted millimeter Wave (mmWave) orthogonal frequency division multiplexing (OFDM) systems. By exploring the inherent sparse scattering…
The high computational cost associated with solving for detailed chemistry poses a significant challenge for predictive computational fluid dynamics (CFD) simulations of turbulent reacting flows. These models often require solving a system…
In order to efficiently explore the chemical space of all possible small molecules, a common approach is to compress the dimension of the system to facilitate downstream machine learning tasks. Towards this end, we present a data driven…
We introduce a new erasure decoder that applies to arbitrary quantum LDPC codes. Dubbed the cluster decoder, it generalizes the decomposition idea of Vertical-Horizontal (VH) decoding introduced by Connelly et al. in 2022. Like the VH…
The Semi-Algebraic framework for the approximate Canonical Polyadic (CP) decomposition via SImultaneaous matrix diagonalization (SECSI) is an efficient tool for the computation of the CP decomposition. The SECSI framework reformulates the…
Canonical Polyadic Decomposition (CPD) of a third-order tensor is decomposition in a minimal number of rank-$1$ tensors. We call an algorithm algebraic if it is guaranteed to find the decomposition when it is exact and if it only relies on…
The accurate and efficient description of strongly correlated systems remains an important challenge for computational methods. Doubly occupied configuration interaction (DOCI), in which all electrons are paired and no correlations which…
Recently, coupled tensor decomposition has been widely used in data fusion of a hyperspectral image (HSI) and a multispectral image (MSI) for hyperspectral super-resolution (HSR). However, exsiting works often ignore the inherent…
DeepTensor is a computationally efficient framework for low-rank decomposition of matrices and tensors using deep generative networks. We decompose a tensor as the product of low-rank tensor factors (e.g., a matrix as the outer product of…
The canonical polyadic decomposition (CPD) is a fundamental tensor decomposition which expresses a tensor as a sum of rank one tensors. In stark contrast to the matrix case, with light assumptions, the CPD of a low rank tensor is…
An efficiency of the Tucker decomposition of amplitude tensors within the single-reference relativistic coupled cluster method with single and double excitations (RCCSD) was studied in a series of benchmark calculations for (AuCl)$_n$…
We reveal limitations of several standard coupled-cluster (CC) methods with perturbation-theorybased noniterative or approximate iterative treatments of triple excitations when applied to thedetermination of highly accurate potential energy…
Low-density parity-check (LDPC) convolutional codes (or spatially-coupled codes) have been shown to approach capacity on the binary erasure channel (BEC) and binary-input memoryless symmetric channels. The mechanism behind this spectacular…
We introduce a new tensor norm, the average spectrum norm, to study sample complexity of tensor completion problems based on the canonical polyadic decomposition (CPD). Properties of the average spectrum norm and its dual norm are…
We recently proposed a novel approach to converging electronic energies equivalent to high-level coupled-cluster (CC) computations by combining the deterministic CC($P$;$Q$) formalism with the stochastic configuration interaction (CI) and…
Coupled-cluster theory with single and double excitations (CCSD) is a promising ab initio method for the electronic structure of three-dimensional metals, for which second-order perturbation theory (MP2) diverges in the thermodynamic limit.…
Doubly occupied configuration interaction (DOCI) with optimized orbitals often accurately describes strong correlations while working in a Hilbert space much smaller than that needed for full configuration interaction. However, the scaling…
We present efficient implementations of the multilevel CC2 (MLCC2) and multilevel CCSD (MLCCSD) models. As the system size increases, MLCC2 and MLCCSD exhibit the scaling of the lower level coupled cluster model. In order to treat large…