相关论文: decryst: an efficient software suite for structure…

The increased computational and experimental interest in perovskite systems comprising novel phases and reduced dimensionality has greatly expanded the search space for this class of materials. In similar fields, unified frameworks exist…

Reflection removal of a single image remains a highly challenging task due to the complex entanglement between target scenes and unwanted reflections. Despite significant progress, existing methods are hindered by the scarcity of…

Given the recent technological trends and novel computing paradigms spanning both software and hardware, physicists and software developers can no longer just rely on computers becoming faster to meet the ever-increasing computing demands…

This work presents a novel algorithm for generating porous structures as an alternative to the PoreSpy program suite. Unlike PoreSpy, which often produces structures whose porosity deviates from the target value, our proposed algorithm…

With the advent of depth sensing technologies, the extraction of object contours in images---a common and important pre-processing step for later higher-level computer vision tasks like object detection and human action recognition---has…

This paper provides a theoretical and numerical investigation of a penalty decomposition scheme for the solution of optimization problems with geometric constraints. In particular, we consider some situations where parts of the constraints…

This paper presents a framework for developing a live vision-correcting display (VCD) to address refractive visual aberrations without the need for traditional vision correction devices like glasses or contact lenses, particularly in…

Diffusion-based image compression methods have achieved notable progress, delivering high perceptual quality at low bitrates. However, their practical deployment is hindered by significant inference latency and heavy computational overhead,…

Determining crystal structures from X-ray diffraction data is fundamental across diverse scientific fields, yet remains a significant challenge when data is limited to low resolution. While recent deep learning models have made…

Contemporary deep clustering approaches often rely on either contrastive or non-contrastive techniques to acquire effective representations for clustering tasks. Contrastive methods leverage negative pairs to achieve homogenous…

Facebook operates a family of services used by over two billion people daily on a huge variety of mobile devices. Many devices are configured to upload crash reports should the app crash for any reason. Engineers monitor and triage millions…

Powder X-ray diffraction (pXRD) experiments are a cornerstone for materials structure characterization. Despite their widespread application, analyzing pXRD diffractograms still presents a significant challenge to automation and a…

Decentralized optimization is well studied for smooth unconstrained problems. However, constrained problems or problems with composite terms are an open direction for research. We study structured (or composite) optimization problems, where…

Polycrystal microstructures, with their distinct physical, chemical, structural and topological entities, play an important role in determining the effective properties of materials. Particularly for computational studies, the well-known…

Previous contrastive deep clustering methods mostly focus on instance-level information while overlooking the member relationship within groups/clusters, which may significantly undermine their representation learning and clustering…

Efficient exploration of the vast chemical space is a fundamental challenge in materials design and discovery, particularly for designing functional inorganic crystalline materials with targeted properties. Diffusion-based generative models…

Addressing irregular cutting and packing (C&P) optimization problems poses two distinct challenges: the geometric challenge of determining whether or not an item can be placed feasibly at a certain position, and the optimization challenge…

Probabilistic forecasting is crucial for real-world spatiotemporal systems, such as climate, energy, and urban environments, where quantifying uncertainty is essential for informed, risk-aware decision-making. While diffusion models have…

Visual-Spatial Systems has become increasingly essential in concrete crack inspection. However, existing methods often lacks adaptability to diverse scenarios, exhibits limited robustness in image-based approaches, and struggles with curved…

Crystal structure prediction (CSP) for inorganic materials is one of the central and most challenging problems in materials science and computational chemistry. This problem can be formulated as a global optimization problem in which global…