相关论文: Local Order Average-Atom Interatomic Potentials

Practical applications of fragment embedding and closely related local correlation methods critically depend on a judicious choice of a low-level theory to define the local embedding subspace and to capture long-range electrostatic and…

This paper describes LOCL (Learning Object Attribute Composition using Localization) that generalizes composition zero shot learning to objects in cluttered and more realistic settings. The problem of unseen Object Attribute (OA)…

The log odds ratio is a well-established metric for evaluating the association between binary outcome and exposure variables. Despite its widespread use, there has been limited discussion on how to summarize the log odds ratio as a function…

Semi-empirical interatomic potentials have been developed for Al, alpha-Ti, and gamma-TiAl within the embedded atomic method (EAM) by fitting to a large database of experimental as well as ab-initio data. The ab-initio calculations were…

Machine learning interatomic potentials (MLIPs) are routinely used to model diverse atomistic phenomena, yet parameterizing them to accurately capture solid-state phase transformations remains difficult. We present error metrics and…

The ability of the Quantum Approximate Optimization Algorithm (QAOA) to deliver a quantum advantage on combinatorial optimization problems is still unclear. Recently, a scaling advantage over a classical solver was postulated to exist for…

Quantum approximate optimization algorithm (QAOA) aims to solve discrete optimization problems by sampling bitstrings using a parameterized quantum circuit. The circuit parameters (angles) are optimized in the way that minimizes the cost…

Local geometric information, i.e. normal and distribution of points, is crucial for LiDAR-based simultaneous localization and mapping (SLAM) because it provides constraints for data association, which further determines the direction of…

Scientists use imaging to identify objects of interest and infer properties of these objects. The locations of these objects are often measured with error, which when ignored leads to biased parameter estimates and inflated variance.…

High entropy alloys (HEA) show promise as a new type of high-performance structural material. Their vast degrees of freedom provide for extensive opportunities to design alloys with tailored properties. However, the compositional…

The Quantum Approximate Optimisation Algorithm (QAOA) is a widely studied quantum-classical iterative heuristic for combinatorial optimisation. While QAOA targets problems in complexity class NP, the classical optimisation procedure…

The Quantum Approximate Optimization Algorithm (QAOA) is a quantum algorithm designed for Combinatorial Optimization Problem (COP). We show that if a local algorithm is limited in performance at logarithmic depth for a spin glass type COP…

Developing reliable interatomic potential models with quantified predictive accuracy is crucial for atomistic simulations. Commonly used potentials, such as those constructed through the embedded atom method (EAM), are derived from…

The microstructure of the Ti-Al binary system is an area of great interest as it affects material properties and plasticity. Phase transformations induce microstructural changes; therefore, accurately modeling the phase transformations of…

Quantum Approximate Optimization Algorithm (QAOA) is one of the most promising quantum algorithms for the Noisy Intermediate-Scale Quantum (NISQ) era. Quantifying the performance of QAOA in the near-term regime is of utmost importance. We…

The Quantum Approximate Optimization Algorithm (QAOA) is an algorithm originally proposed to find approximate solutions to Combinatorial Optimization problems on quantum computers. However, the algorithm has also attracted interest for…

We present a data-adaptive method for parameter-efficient fine-tuning of large neural networks. Standard low-rank adaptation methods improve efficiency by restricting each layer update to a fixed low-rank form, but this static…

Machine learning is a promising technique for angle-of-arrival (AOA) estimation of waves impinging a sensor array. However, the majority of the methods proposed so far only consider a known, fixed number of impinging waves, i.e., a fixed…

Quantum Approximate Optimization Algorithm (QAOA) provides a way to solve combinatorial optimization problems using quantum computers. QAOA circuits consist of time evolution operators by the cost Hamiltonian and of state mixing operators,…

A review of the Loop Algorithm, its generalizations, and its relation to some other Monte Carlo techniques is given. The loop algorithm is a Quantum Monte Carlo procedure which employs nonlocal changes of worldline configurations,…