相关论文: Reflection-Equivariant Diffusion for 3D Structure …
Modeling radio frequency (RF) signal propagation is essential for understanding the environment, as RF signals offer valuable insights beyond the capabilities of RGB cameras, which are limited by the visible-light spectrum, lens coverage,…
Tomography is the three-dimensional reconstruction of an object from images taken at different angles. The term classical tomography is used, when the imaging beam travels in straight lines through the object. This assumption is valid for…
This work introduces MiDi, a novel diffusion model for jointly generating molecular graphs and their corresponding 3D arrangement of atoms. Unlike existing methods that rely on predefined rules to determine molecular bonds based on the 3D…
Transforming two-dimensional (2D) images into three-dimensional (3D) volumes is a well-known yet challenging problem for the computer vision community. In the medical domain, a few previous studies attempted to convert two or more input…
Rotation-equivariance is an essential yet challenging property in oriented object detection. While general object detectors naturally leverage robustness to spatial shifts due to the translation-equivariance of the conventional CNNs,…
We present a new method for estimating the Neural Reflectance Field (NReF) of an object from a set of posed multi-view images under unknown lighting. NReF represents 3D geometry and appearance of objects in a disentangled manner, and are…
The task of deducing three-dimensional molecular configurations from their two-dimensional graph representations holds paramount importance in the fields of computational chemistry and pharmaceutical development. The rapid advancement of…
In materials science, microstructures and their associated extrinsic properties are critical for engineering advanced structural and functional materials, yet their robust reconstruction and generation remain significant challenges. In this…
For the example of the SiC(111)-(3x3) reconstruction we show that a holographic interpretation of discrete Low Energy Electron Diffraction (LEED) spot intensities arising from ordered, large unit cell superstructures can give direct access…
Ultrafast nanocrystallography has the potential to revolutionize biology by enabling structural elucidation of proteins for which it is possible to grow crystals with 10 or fewer unit cells on the side. The success of nanocrystallography…
We study the backward scatterings of plane waves by reciprocal scatterers and reveal that $n$-fold ($n\geq3$) rotation symmetry is sufficient to secure invariant backscattering for arbitrarily-polarized incident plane waves. It is further…
Cyclopropenone was first detected in the cold and less dense envelope of Sagittarius B2(N). It was found later in several cold dark clouds and it may be possible to detect its minor isotopic species in these environments. In addition, the…
Perovskite oxides such as LaFeO$_3$ are a well-studied family of materials that possess a wide range of useful and novel properties. Successfully synthesizing perovskite oxide samples usually requires a significant number of growth attempts…
Structure-property relationships in ordered materials have long been a core principle in materials design. However, the intentional introduction of disorder into materials provides structural flexibility and thus access to material…
Ultrafast diffraction imaging is a powerful tool to retrieve the geometric structure of gas-phase molecules with combined picometre spatial and attosecond temporal resolution. However, structural retrieval becomes progressively difficult…
Cryo-electron tomography (cryo-ET) has emerged as a powerful tool for studying the structural heterogeneity of proteins and their complexes, offering insights into macromolecular dynamics directly within cells. Driven by recent…
Capturing the 3D geometry of transparent objects is a challenging task, ill-suited for general-purpose scanning and reconstruction techniques, since these cannot handle specular light transport phenomena. Existing state-of-the-art methods,…
Structure-based drug design (SBDD) aims to generate 3D ligand molecules that bind to specific protein targets. Existing 3D deep generative models including diffusion models have shown great promise for SBDD. However, it is complex to…
Constructing of molecular structural models from Cryo-Electron Microscopy (Cryo-EM) density volumes is the critical last step of structure determination by Cryo-EM technologies. Methods have evolved from manual construction by structural…
An approach to diffraction tomography is investigated for two-dimensional image reconstruction of objects surrounded by an arbitrarily-shaped curve of sources and receivers. Based on the integral theorem of Helmholtz and Kirchhoff, the…