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We show that ZIF-4, a metal-organic framework (MOF) with a zeolitic structure, undergoes a crystal--amorphous transition on heating to 300 $^\circ$C. The amorphous form, which we term a-ZIF, is recoverable to ambient conditions or may be…
A core-softened model of a glass forming fluid is numerically studied in the limit of very low temperatures. The model shows two qualitatively different behaviors depending on the strength of the attraction between particles. For no or low…
We show that the information gained in spectroscopic experiments regarding the number and distribution of atomic environments can be used as a valuable constraint in the refinement of the atomic-scale structures of nanostructured or…
While information securityis a fundamental requirement for wireless communications, conventional optimization based approaches often struggle with real-time implementation, and deep models, typically discriminative in nature, may lack the…
We discuss an inverse approach for atomistic modeling of glassy materials. The focus is on structural modeling and electronic properties of hydrogenated amorphous silicon and glassy GeSe2 alloy. The work is based upon a new approach…
Diffusion models have achieved remarkable success in image synthesis. However, addressing artifacts and unrealistic regions remains a critical challenge. We propose self-refining diffusion, a novel framework that enhances image generation…
We introduce Diffusion Active Learning, a novel approach that combines generative diffusion modeling with data-driven sequential experimental design to adaptively acquire data for inverse problems. Although broadly applicable, we focus on…
The rapid development of AI highlights the pressing need for sustainable energy, a critical global challenge for decades. Nuclear fusion, generally seen as an ultimate solution, has been the focus of intensive research for nearly a century,…
Fluid-Structure Interaction (FSI) can be investigated by means of non-linear Finite Element Models (FEM), suitable to capture large deflections of structural parts interacting with fluids, and Computational Fluid Dynamics (CFD). High…
Synthetic Aperture Radar (SAR) images are inherently corrupted by speckle noise, limiting their utility in high-precision applications. While deep learning methods have shown promise in SAR despeckling, most methods employ a single unified…
A novel mathematical model for fiber-reinforced materials is proposed. It is based on a 1-dimensional beam model for the thin fiber structures, a flexible and general 3-dimensional elasticity model for the matrix and an overlapping domain…
Silicon (Si) is one of the most abundant elements on Earth, and it is the most important and widely used semiconductor, constituting the basis of modern electronic devices. Despite extensive study, some properties of Si remain elusive. For…
The development of X-ray Free Electron Lasers (XFELs) has opened numerous opportunities to probe atomic structure and ultrafast dynamics of various materials. Single Particle Imaging (SPI) with XFELs enables the investigation of biological…
Nuclear reactor buildings must be designed to withstand the dynamic load induced by strong ground motion earthquakes. For this reason, their structural behavior must be assessed in multiple realistic ground shaking scenarios (e.g., the…
X-ray reflectivity (XRR) is a powerful and popular scattering technique that can give valuable insight into the growth behavior of thin films. In this study, we show how a simple artificial neural network model can be used to predict the…
The values of the signal-to-noise ratio are determined, at which the method of processing X-ray diffraction data reveals reflections with intensity less than the noise component of the background. The possibilities of the method are…
Public image diffusion models are now powerful enough that an attacker without the resources to train a tabular-specific generator may repurpose one off the shelf. This study tests that possibility directly. An unmodified Stable Diffusion…
The search for refining 3D LiDAR data has attracted growing interest motivated by recent techniques such as supervised learning or generative model-based methods. Existing approaches have shown the possibilities for using diffusion models…
In recent years, some researchers have applied diffusion models to multivariate time series anomaly detection. The partial diffusion strategy, which depends on the diffusion steps, is commonly used for anomaly detection in these models.…
Existing unpaired image deraining approaches face challenges in accurately capture the distinguishing characteristics between the rainy and clean domains, resulting in residual degradation and color distortion within the reconstructed…