相关论文: Heat-bath Configuration Interaction: An efficient …
We propose a novel approach to solving input- and state-constrained parametric mixed-integer optimal control problems using Differentiable Predictive Control (DPC). Our approach follows the differentiable programming paradigm by learning an…
Nanophotonics systems have recently been studied under the perspective of non-Hermitian physics. Given their potential for wavefront control, nonlinear optics and quantum optics, it is crucial to develop predictive tools to assist their…
The stochastic dynamics of the damped harmonic oscillator in a heat bath is simulated with an algorithm that is exact for time steps of arbitrary size. Exact analytical results are given for correlation functions and power spectra in the…
A multiple-relaxation-time discrete Boltzmann model (DBM) is proposed for multicomponent mixtures, where compressible, hydrodynamic, and thermodynamic nonequilibrium effects are taken into account. It allows the specific heat ratio and the…
We formulate a finite-temperature scheme of the variational cluster approximation (VCA) particularly suitable for an exact-diagonalization cluster solver. Based on the analytical properties of the single-particle Green's function matrices,…
Smart manufacturing can significantly improve efficiency and reduce energy consumption, yet the energy demands of AI models may offset these gains. This study utilizes in-situ sensing-based prediction of geometric quality in smart machining…
In this paper, we investigate the effects of full electronic correlation on the high harmonic generation in the helium atom subjected to laser pulses of extremely high intensity. To do this, we perform real-time propagations of the helium…
The Configuration Interaction (CI) method using orbitals centered on the nucleus has recently been applied to calculate the interactions of positrons interacting with atoms. Computational investigations of the convergence properties of…
We investigate one-dimensional harmonically trapped two-component systems for repulsive interaction strengths ranging from the non-interacting to the strongly interacting regime for Fermi-Fermi mixtures. A new and powerful mapping between…
A wide variety of real life complex networks are prohibitively large for modeling, analysis and control. Understanding the structure and dynamics of such networks entails creating a smaller representative network that preserves its relevant…
The dissipative quantum dynamics of an anharmonic oscillator coupled to a bath is studied with the purpose of elucidating the differences between the relaxation to a spin bath and to a harmonic bath. Converged results are obtained for the…
In this work, an $H_{\infty}$ performance fault recovery control problem for a team of multi-agent systems that is subject to actuator faults is studied. Our main objective is to design a distributed control reconfiguration strategy such…
Effective close-proximity human-robot interaction (CP-HRI) requires robots to be able to both efficiently perform tasks as well as adapt to human behavior and preferences. However, this ability is mediated by many, sometimes competing,…
We investigate the performance of a class of compact and systematically improvable Jastrow-Slater wave functions for the efficient and accurate computation of structural properties, where the determinantal component is expanded with a…
Doubly occupied configuration interaction (DOCI), the exact diagonalization of the Hamiltonian in the paired (seniority zero) sector of the Hilbert space, is a combinatorial cost wave function that can be very efficiently approximated by…
Traditional multiconfiguration Hartree-Fock (MCHF) and configuration interaction (CI) methods are based on a single orthonormal orbital basis (OB). For atoms with complicated shell structures, a large OB is needed to saturate all the…
Human Object Interaction (HOI) detection aims to localize and infer the relationships between a human and an object. Arguably, training supervised models for this task from scratch presents challenges due to the performance drop over rare…
In this paper, we address energy management for heating, ventilation, and air-conditioning (HVAC) systems in buildings, and present a novel combined optimization and control approach. We first formulate a thermal dynamics and an associated…
Human-Object Interaction (HOI) detection is a fundamental task in image understanding. While deep-learning-based HOI methods provide high performance in terms of mean Average Precision (mAP), they are computationally expensive and opaque in…
Discrete choice models are essential for modelling various decision-making processes in human behaviour. However, the specification of these models has depended heavily on domain knowledge from experts, and the fully automated but…