Related papers: Latent Diffusion-Based 3D Molecular Recovery from …
Spectral imaging is a fundamental diagnostic technique with widespread application. Conventional spectral imaging approaches have intrinsic limitations on spatial and spectral resolutions due to the physical components they rely on. To…
This work explores how small molecules sound. Infrared (IR) spectra of HCl, H2O, NH3, and acetone are mapped into the audible range using a simple anharmonic oscillator model and NIST vibrational data. Comparing harmonic and anharmonic…
In image restoration, single-step discriminative mappings often lack fine details via expectation learning, whereas generative paradigms suffer from inefficient multi-step sampling and noise-residual coupling. To address this dilemma, we…
We introduce PolyDiff, the first diffusion-based approach capable of directly generating realistic and diverse 3D polygonal meshes. In contrast to methods that use alternate 3D shape representations (e.g. implicit representations), our…
Magnetic Resonance Imaging (MRI) is a crucial diagnostic tool, but high-resolution scans are often slow and expensive due to extensive data acquisition requirements. Traditional MRI reconstruction methods aim to expedite this process by…
Three-dimensional ultrasound enables real-time volumetric visualization of anatomical structures. Unlike traditional 2D ultrasound, 3D imaging reduces reliance on precise probe orientation, potentially making ultrasound more accessible to…
Hyperspectral image (HSI) reconstruction aims to recover 3D HSI from its degraded 2D measurements. Recently great progress has been made in deep learning-based methods, however, these methods often struggle to accurately capture…
Macrocyclic peptides are an emerging therapeutic modality, yet computational approaches for accurately sampling their diverse 3D ensembles remain challenging due to their conformational diversity and geometric constraints. Here, we…
Reconstructing 3D clothed humans from monocular images and videos is a fundamental problem with applications in virtual try-on, avatar creation, and mixed reality. Despite significant progress in human body recovery, accurately…
Vibrational spectroscopy is a key technique to elucidate microscopic structure and dynamics. Without the aid of theoretical approaches, it is however, often difficult to understand such spectra at a microscopic level. Ab initio molecular…
Articulated objects, such as laptops and drawers, exhibit significant challenges for 3D reconstruction and pose estimation due to their multi-part geometries and variable joint configurations, which introduce structural diversity across…
IR spectroscopy such as Fourier transform infrared spectroscopy (FTIR) are widely used for the investigation of structure and the quantitative determination of substances in the fields of chemistry, physics, biology, medicine, and…
Reconstructing 3D clothed humans from images is fundamental to applications like virtual try-on, avatar creation, and mixed reality. While recent advances have enhanced human body recovery, accurate reconstruction of garment geometry --…
Retrieving or generating two-dimensional molecular structures on the basis of vibrational spectra has been well demonstrated via deep learning models. However, deciphering three-dimensional molecular conformations is still challenging,…
Diffusion models have been widely utilized for image restoration. However, previous blind image restoration methods still need to assume the type of degradation model while leaving the parameters to be optimized, limiting their real-world…
Magnetic Resonance (MR) imaging plays an essential role in contemporary clinical diagnostics. It is increasingly integrated into advanced therapeutic workflows, such as hybrid Positron Emission Tomography/Magnetic Resonance (PET/MR) imaging…
Infrared (IR) spectroscopy is an indispensable tool for many practical applications including material analysis and sensing. Existing IR spectroscopy techniques face challenges related to the inferior performance and the high cost of…
Lensless fiber endomicroscope is an emerging tool for in-vivo microscopic imaging, where quantitative phase imaging (QPI) can be utilized as a label-free method to enhance image contrast. However, existing single-shot phase reconstruction…
Most existing MRI reconstruction methods perform tar-geted reconstruction of the entire MR image without tak-ing specific tissue regions into consideration. This may fail to emphasize the reconstruction accuracy on im-portant tissues for…
Generating molecules that bind to specific proteins is an important but challenging task in drug discovery. Previous works usually generate atoms in an auto-regressive way, where element types and 3D coordinates of atoms are generated one…