Related papers: Attention Is Not All You Need for Diffraction

Powder X-ray diffraction (XRD) is a foundational technique for characterizing crystalline materials. However, the reliable interpretation of XRD patterns, particularly in multiphase systems, remains a manual and expertise-demanding task. As…

Despite the notable accomplishments of deep object detection models, a major challenge that persists is the requirement for extensive amounts of training data. The process of procuring such real-world data is a laborious undertaking, which…

Accurate grain orientation mapping is essential for understanding and optimizing the performance of polycrystalline materials, particularly in energy-related applications. Lithium nickel oxide (LiNiO$_{2}$) is a promising cathode material…

Uncertainty calibration in pre-trained transformers is critical for their reliable deployment in risk-sensitive applications. Yet, most existing pre-trained transformers do not have a principled mechanism for uncertainty propagation through…

We present 3DiffTection, a state-of-the-art method for 3D object detection from single images, leveraging features from a 3D-aware diffusion model. Annotating large-scale image data for 3D detection is resource-intensive and time-consuming.…

The technique known as 4D-STEM has recently emerged as a powerful tool for the local characterization of crystalline structures in materials, such as cathode materials for Li-ion batteries or perovskite materials for photovoltaics. However,…

Point cloud analysis (such as 3D segmentation and detection) is a challenging task, because of not only the irregular geometries of many millions of unordered points, but also the great variations caused by depth, viewpoint, occlusion, etc.…

Emerging coherent X-ray scattering patterns of single particles have shown dominant morphological signatures in agreement with predictions of the scattering model used for conventional protein crystallography. The key question is if and to…

Predicting physical properties of materials from their crystal structures is a fundamental problem in materials science. In peripheral areas such as the prediction of molecular properties, fully connected attention networks have been shown…

Ptychography, a coherent diffraction imaging technique, has become an indispensable tool in materials characterization, biological imaging, and nanostructure analysis due to its capability for high-resolution, lensless reconstruction of…

In coherent X-ray diffraction microscopy the diffraction pattern generated by a sample illuminated with coherent x-rays is recorded, and a computer algorithm recovers the unmeasured phases to synthesize an image. By avoiding the use of a…

Energy-dispersive X-ray diffraction (EDXRD) is extremely insensitive to sample morphology when implemented in a back-reflection geometry. The capabilities of this non-invasive technique for cultural heritage applications have been explored…

The main requisite for fine-grained recognition task is to focus on subtle discriminative details that make the subordinate classes different from each other. We note that existing methods implicitly address this requirement and leave it to…

Serial crystallography experiments routinely produce thousands of diffraction patterns from crystals in random orientations. To turn this stream of images into a usable dataset, each pattern must be indexed before integration and merging…

Four-dimensional scanning transmission electron microscopy (4D-STEM) provides rich, atomic-scale insights into materials structures. However, extracting specific physical properties - such as polarization directions essential for…

Serial femtosecond crystallography at X-ray free electron laser facilities opens a new era for the determination of crystal structure. However, the data processing of those experiments is facing unprecedented challenge, because the total…

A routine crystallography technique, crystal structure analysis, is rarely performed in computational condensed matter research. The lack of methods to identify and characterize crystal structures reliably in particle simulation data…

Deep learning-based feature matching has shown great superiority for point cloud registration in the absence of pose priors. Although coarse-to-fine matching approaches are prevalent, the coarse matching of existing methods is typically…

Contemporary diffusion models built upon U-Net or Diffusion Transformer (DiT) architectures have revolutionized image generation through transformer-based attention mechanisms. The prevailing paradigm has commonly employed self-attention…

Electron backscatter diffraction (EBSD) is a well-established method of characterisation for crystalline materials. This technique can rapidly acquire and index diffraction patterns to provide phase and orientation information about the…