相关论文: Orthogonally Constrained Orbital Optimization: ass…
In this work we deal with the optimal design and optimal control of structures undergoing large rotations. In other words, we show how to find the corresponding initial configuration and the corresponding set of multiple load parameters in…
When attempting to recover functions from observational data, one naturally seeks to do so in an optimal manner with respect to some modeling assumption. With a focus put on the worst-case setting, this is the standard goal of Optimal…
Tensor network states and specifically matrix-product states have proven to be a powerful tool for simulating ground states of strongly correlated spin models. Recently, they have also been applied to interacting fermionic problems,…
We study the effect of stochasticity in on-policy policy optimization, and make the following four contributions. First, we show that the preferability of optimization methods depends critically on whether stochastic versus exact gradients…
The cost of simulating quantum many-body systems - on classical or quantum hardware - scales with the number of variational parameters, so progress at fixed computational budget hinges on more parameter-efficient ans\"atze. Configuration…
We present a quantum algorithm for combinatorial optimization using the cost structure of the search states. Its behavior is illustrated for overconstrained satisfiability and asymmetric traveling salesman problems. Simulations with…
The previously proposed ansatz for density cumulant theory that combines orbital-optimization and a parameterization of the 2-electron reduced density matrix cumulant in terms of unitary coupled cluster amplitudes (OUDCT) is carefully…
We study the physical implementation of an optimal tomographic reconstruction scheme for the case of determining the state of a multi-qubit system, where trapped ions are used for defining qubits. The protocol is based on the use of…
Quaternion optimization has attracted significant interest due to its broad applications, including color face recognition, video compression, and signal processing. Despite the growing literature on quadratic and matrix quaternion…
Non-orthogonal configuration interaction (NOCI) is a generalization of the standard orthogonal configuration interaction (CI) method and offers a highly flexible framework for describing ground and excited electronic states. However, this…
Two types of results are presented for distinguishing pure bipartite quantum states using Local Operations and Classical Communications. We examine sets of states that can be perfectly distinguished, in particular showing that any three…
We consider a protocol to perform the optimal quantum state discrimination of $N$ linearly independent non-orthogonal pure quantum states and present a computational code. Through the extension of the original Hilbert space, it is possible…
Computational evidence shows that, when using natural orbitals to study (dynamical and non-dynamical) electron correlation, determinants with an odd number of excitations play a negligible role. Instead, doubly excited determinants rule the…
This work explores the global optimization problem of finding lowest-energy configurations (ground states) in disordered continuous spins models from statistical physics, with a particular focus on the random field XY model. Due to an…
We present a method for finding individual excited states' energy stationary points in complete active space self-consistent field theory that is compatible with standard optimization methods and highly effective at overcoming difficulties…
We consider deeply the relation between the orthogonality and the distinguishability of a set of arbitrary states (including multi-partite states). It is shown that if a set of arbitrary states can be distinguished by local operations and…
The practice of collider physics typically involves the marginalization of multi-dimensional collider data to uni-dimensional observables relevant for some physics task. In any cases, such as classification or anomaly detection, the…
We demonstrate how the matrix-product state formalism provides a flexible structure to solve the constrained optimization problem associated with the sequential generation of entangled multiqubit states under experimental restrictions. We…
Calculations of excited states in Green's function formalism often invoke the diagonal approximation, in which the quasiparticle states are taken from a mean-field calculation. Here, we extend the stochastic approaches applied in the…
Reduced basis approximations of Optimal Control Problems (OCPs) governed by steady partial differential equations (PDEs) with random parametric inputs are analyzed and constructed. Such approximations are based on a Reduced Order Model,…