相关论文: Refit to numerically problematic UMIST reaction ra…
Most existing person re-identification (Re-ID) approaches follow a supervised learning framework, in which a large number of labelled matching pairs are required for training. Such a setting severely limits their scalability in real-world…
The ability to reason beyond established knowledge allows Organic Chemists to solve synthetic problems and to invent novel transformations. Here, we propose a model which mimics chemical reasoning and formalises reaction prediction as…
The modified quasichemical model in the quadruplet approximation (MQMQA) considers the first- and the second-nearest-neighbor coordination and interactions, particularly useful in describing short-range ordering in complex liquids such as…
This paper challenges the cross-domain semantic segmentation task, aiming to improve the segmentation accuracy on the unlabeled target domain without incurring additional annotation. Using the pseudo-label-based unsupervised domain…
We theoretically investigate the pure dephasing dynamics of two static impurity qubits embedded within a common environment of ultracold fermionic atoms, which are confined to one spatial dimension. Our goal is to understand how…
We propose a numerical technique for parameter inference in Markov models of biological processes. Based on time-series data of a process we estimate the kinetic rate constants by maximizing the likelihood of the data. The computation of…
We investigate the DFT+U approach as a viable solution to describe the low-lying states of ligated and unligated iron heme complexes. Besides their central role in organometallic chemistry, these compounds represent a paradigmatic case…
In this report, we describe the technical details of our submission to the EPIC-Kitchens-100 Unsupervised Domain Adaptation (UDA) Challenge in Action Recognition. To tackle the domain-shift which exists under the UDA setting, we first…
The calibration of CALPHAD (CALculation of PHAse Diagrams) models involves the solution of a very challenging high-dimensional multiobjective optimization problem. Traditional approaches to parameter fitting predominantly rely on…
Reconstructing a thermal model capable of efficiently simulating the behavior of a spacecraft from sparse and localized temperature measurements remains a challenging task. To address this, we introduce a physically-constrained calibration…
We present an efficient approach to quantify the uncertainties associated with the numerical simulations of the laser-based powder bed fusion of metals processes. Our study focuses on a thermomechanical model of an Inconel 625 cantilever…
We present an extensive set of surface and chemisorption energies calculated using state of the art many-body perturbation theory. In the first part of the paper we consider ten surface reactions in the low coverage regime where…
Accurate representations of unknown and sub-grid physical processes through parameterizations (or closure) in numerical simulations with quantified uncertainty are critical for resolving the coarse-grained partial differential equations…
Stochastic models for chemical reaction networks have become very popular in recent years. For such models, the estimation of parameter sensitivities is an important and challenging problem. Sensitivity values help in analyzing the network,…
Based on the formalism of thermo-field dynamics a new approach for studying collective excitations in hot finite Fermi systems is presented. Two approximations going beyond the thermal RPA namely renormalized thermal RPA and thermal second…
The study of the chemical composition of the interstellar medium (ISM) requires a strong synergy between laboratory astrophysics, modeling, and observations. In particular, astrochemical models have been developed for decades now and…
Nuclear Reaction Analysis with ${}^{3}$He holds the promise to measure Deuterium depth profiles up to large depths. However, the extraction of the depth profile from the measured data is an ill-posed inversion problem. Here we demonstrate…
The numerical solution of parameter identification inverse problems for kinetic equations can exhibit high computational and memory costs. In this paper, we propose a dynamical low-rank scheme for the reconstruction of the scattering…
The rate coefficient formulae of unimolecular reactions are generalized to the systems with the power-law distributions based on nonextensive statistics, and the power-law rate coefficients are derived in the high and low pressure limits,…
Consistent experiment data are crucial to adjust parameters of physics models and to determine best estimates of observables. However, often experiment data are not consistent due to unrecognized systematic errors. Standard methods of…