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Quantum Krylov algorithms have emerged as a promising approach for ground-state energy estimation in the near-term quantum computing era. A major challenge, however, lies in their inherently substantial sampling cost, primarily due to the…
For large scale electronic structure calculation, the Krylov subspace method is introduced to calculate the one-body density matrix instead of the eigenstates of given Hamiltonian. This method provides an efficient way to extract the…
We propose herein an extension of truncated spectrum methodologies (TSMs), a non-perturbative numerical approach able to elucidate the low energy properties of quantum field theories. TSMs, in their various flavors, involve a division of a…
Simulating quantum many-body systems (QMBS) is one of the long-standing, highly non-trivial challenges in condensed matter physics and quantum information due to the exponentially growing size of the system's Hilbert space. To date, tensor…
Matrix product states (MPSs) and matrix product operators (MPOs) are fundamental tools in the study of quantum many-body systems, particularly in the context of tensor network methods such as Time-Evolving Block Decimation (TEBD). However,…
Several Krylov-type procedures are introduced that generalize matrix Krylov methods for tensor computations. They are denoted minimal Krylov recursion, maximal Krylov recursion, contracted tensor product Krylov recursion. It is proved that…
In this work we introduce a memory-efficient method for computing the action of a Hermitian matrix function on a vector. Our method consists of a rational Lanczos algorithm combined with a basis compression procedure based on rational…
We propose a tensor-network (TN) approach for solving classical optimization problems that is inspired by spectral filtering and sampling on quantum states. We first shift and scale an Ising Hamiltonian of the cost function so that all…
We present a reduced-scaling auxiliary-field quantum Monte Carlo (AFQMC) framework designed for large molecular systems and ensembles, with or without coupling to optical cavities. Our approach leverages the natural block sparsity of…
The Krylov subspace methods, being one category of the most important classical numerical methods for linear algebra problems, can be much more powerful when generalised to quantum computing. However, quantum Krylov subspace algorithms are…
Quantum computing has long promised transformative advances in data analysis, yet practical quantum machine learning has remained elusive due to fundamental obstacles such as a steep quantum cost for the loading of classical data and poor…
Markov state models (MSMs) have been successful in computing metastable states, slow relaxation timescales and associated structural changes, and stationary or kinetic experimental observables of complex molecules from large amounts of…
The extension of least-squares tensor hypercontracted second- and third-order M{\o}ller-Plessett perturbation theory (LS-THC-MP2 and LS-THC-MP3) to open-shell systems is an important development due to the scaling reduction afforded by THC…
Quantum Krylov subspace methods can extract ground and excited states by diagonalizing the Hamiltonian in a compact variational space. In practice, these spaces are almost always generated by real or imaginary time evolution, forcing a…
We present a new method for compressing matrix product operators (MPOs) which represent sums of local terms, such as Hamiltonians. Just as with area law states, such local operators may be fully specified with a small amount of information…
For several classes of mathematical models that yield linear systems, the splitting of the matrix into its Hermitian and skew Hermitian parts is naturally related to properties of the underlying model. This is particularly so for…
One method of representing a high-rank tensor as a (hyper-)product of lower-rank tensors is the tensor hypercontraction (THC) method of Hohenstein et al. This strategy has been found to be useful for reducing the polynomial scaling of…
Matrix Product States (MPS) and Operators (MPO) have been proven to be a powerful tool to study quantum many-body systems but are restricted to moderately entangled states as the number of parameters scales exponentially with the…
Path-integral techniques are a powerful tool used in open quantum systems to provide an exact solution for the non-Markovian dynamics. However, the exponential scaling of the tensor size with quantum memory length of these techniques limits…
Towards the efficient simulation of near-term quantum devices using tensor network states, we introduce an improved real-space parallelizable matrix-product state (MPS) compression method. This method enables efficient compression of all…