Related papers: Distributed-Memory DMRG via Sparse and Dense Paral…

Tensor renormalization group (TRG) constitutes an important methodology for accurate simulations of strongly correlated lattice models. Facilitated by the automatic differentiation technique widely used in deep learning, we propose a…

We propose an entanglement-based algorithm of the tensor-network strong-disorder renormalization group (tSDRG) method for quantum spin systems with quenched randomness. In contrast to the previous tSDRG algorithm based on the energy…

We present a time-step targetting scheme to simulate real-time dynamics efficiently using the density matrix renormalization group (DMRG). The algorithm works on ladders and systems with interactions beyond nearest neighbors, in contrast to…

Compared to ground state electronic structure optimizations, accurate simulations of molecular real-time electron dynamics are usually much more difficult to perform. To simulate electron dynamics, the time-dependent density matrix…

We have applied the momentum space version of the Density Matrix Renormalization Group method ($k$-DMRG) in quantum chemistry in order to study the accuracy of the algorithm in the new context. We have shown numerically that it is possible…

We propose an initialization procedure for the density-matrix renormalization group (DMRG): {\it the recursive sweep method}. In a conventional DMRG calculation, the infinite-algorithm, where two new sites are added to the system at each…

We present an alternative, memory-efficient, Schmidt decomposition-based description of the inherently bipartite restricted active space (RAS) scheme, which can be implemented effortlessly within the density matrix renormalization group…

The density matrix renormalization group (DMRG) is a powerful method to treat static correlation. Here we present an inexpensive way to add additional dynamic correlation energy to a DMRG self-consistent field (DMRG) wave function using…

Dimensionality reduction is an essential technique for multi-way large-scale data, i.e., tensor. Tensor ring (TR) decomposition has become popular due to its high representation ability and flexibility. However, the traditional TR…

Network pruning can reduce the computation cost of deep neural network (DNN) models. However, sparse models often produce randomly-distributed weights to maintain accuracy, leading to irregular computations. Consequently, unstructured…

This article compares the tensor method density matrix renormalization group (DMRG) with two neural network based methods -namely FermiNet and PauliNet) for determining the ground state wavefunction of the many-body electronic…

In this work, we use Deep Gaussian Processes (DGPs) as statistical surrogates for stochastic processes with complex distributions. Conventional inferential methods for DGP models can suffer from high computational complexity as they require…

We have extended the density matrix renormalization group (DMRG) approach to two-fluid open many-fermion systems governed by complex-symmetric Hamiltonians. The applications are carried out for three- and four-nucleon (proton-neutron)…

Scientific problems require resolving multi-scale phenomena across different resolutions and learning solution operators in infinite-dimensional function spaces. Neural operators provide a powerful framework for this, using…

The Density Matrix Renormalization Group (DMRG) was introduced by Steven White in 1992 as a method for accurately describing the properties of one-dimensional quantum lattices. The method, as originally introduced, was based on the…

We present a distributed-memory library for computations with dense structured matrices. A matrix is considered structured if its off-diagonal blocks can be approximated by a rank-deficient matrix with low numerical rank. Here, we use…

The practical success of polynomial-time tensor network methods for computing ground states of certain quantum local Hamiltonians has recently been given a sound theoretical basis by Arad, Landau, Vazirani, and Vidick. The convergence…

The memory capacity of embedding tables in deep learning recommendation models (DLRMs) is increasing dramatically from tens of GBs to TBs across the industry. Given the fast growth in DLRMs, novel solutions are urgently needed, in order to…

Novel randomness-induced disordered ground states in two-dimensional (2D) quantum spin systems have been attracting much interest. For quantitative analysis of such random quantum spin systems, one of the most promising numerical approaches…

Configuration-interaction-type calculations on electronic and vibrational structure are often the method of choice for the reliable approximation of many-particle wave functions and energies. The exponential scaling, however, limits their…