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Exploring the free-energy landscape along reaction coordinates or system parameters $\lambda$ is central to many studies of high-dimensional model systems in physics, e.g. large molecules or spin glasses. In simulations this usually…
This paper introduces a novel framework for distributed two-sample testing using the Integrated Transportation Distance (ITD), an extension of the Optimal Transport distance. The approach addresses the challenges of detecting distributional…
In recent times, three-dimensional (3D) metamaterials have undergone a revolution driven mainly by the popularization of 3D-printing techniques, which has enabled the implementation of modern microwave and photonic devices with advanced…
Indentation test is used with growing popularity for the characterization of various materials on different scales. Developed methods are combining the test with computer simulation and inverse analyses to assess material parameters…
Two-dimensional (2D) materials have wide applications in superconductors, quantum, and topological materials. However, their rational design is not well established, and currently less than 6,000 experimentally synthesized 2D materials have…
Visible images offer rich texture details, while infrared images emphasize salient targets. Fusing these complementary modalities enhances scene understanding, particularly for advanced vision tasks under challenging conditions. Recently,…
The commonly adopted detect-then-match approach to registration finds difficulties in the cross-modality cases due to the incompatible keypoint detection and inconsistent feature description. We propose, 2D3D-MATR, a detection-free method…
This article deals with the fusion of flaw detections from multi-sensor nondestructive materials testing. Because each testing method makes use of different physical effects for defect localization, a multi-method approach is promising to…
Nonlinear dimensionality reduction methods are a popular tool for data scientists and researchers to visualize complex, high dimensional data. However, while these methods continue to improve and grow in number, it is often difficult to…
Accelerated destructive degradation tests (ADDT) are often used to collect necessary data for assessing the long-term properties of polymeric materials. Based on the data, a thermal index (TI) is estimated. The TI can be useful for material…
The density matrix renormalization group is one of the most powerful numerical methods for computing ground-state properties of two-dimensional (2D) quantum lattice systems. Here we show its finite-temperature extensions are also viable for…
Lidar is extensively used in the industry and mass-market. Due to its measurement accuracy and insensitivity to illumination compared to cameras, It is applied onto a broad range of applications, like geodetic engineering, self driving cars…
Recent advances in materials discovery have been driven by structure-based models, particularly those using crystal graphs. While effective for computational datasets, these models are impractical for real-world applications where atomic…
Deep Metric Learning (DML) provides a crucial tool for visual similarity and zero-shot applications by learning generalizing embedding spaces, although recent work in DML has shown strong performance saturation across training objectives.…
The vast majority of Dimensionality Reduction (DR) techniques rely on second-order statistics to define their optimization objective. Even though this provides adequate results in most cases, it comes with several shortcomings. The methods…
Two-dimensional (2D) materials and Transition Metal Dichalcogenides (TMD) in particular are at the forefront of nanotechnology. To tailor properties for engineering applications, alloying strategies used for bulk metals in the last century…
Modern data analytics take advantage of ensemble learning and transfer learning approaches to tackle some of the most relevant issues in data analysis, such as lack of labeled data to use to train the analysis models, sparsity of the…
Adequate characterization of two-dimensional materials with low energy barriers for impurity adsorption is key for advancing applications based on catalysis, sensing, and surface functionalization. However, first-principles methods, such as…
We propose a new method for integrating metasurfaces in optical design using semi-analytical modelling of dielectric nanostructures. The latter computes the output phase of an electric field incident on the metasurface, allowing their use…
The study of alloys using computational methods has been a difficult task due to the usually unknown stoichiometry and local atomic ordering of the different structures experimentally. In order to combat this, first-principles methods have…