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Nonrigid point set registration is widely applied in the tasks of computer vision and pattern recognition. Coherent point drift (CPD) is a classical method for nonrigid point set registration. However, to solve spatial transformation…
Identification of crystal structures is a crucial stage in the exploration of novel functional materials. This procedure is usually time-consuming and can be false-positive or false-negative. This necessitates a significant level of expert…
2D diffusion model, which often contains unwanted baked-in shading effects and results in unrealistic rendering effects in the downstream applications. Generating Physically Based Rendering (PBR) materials instead of just RGB textures would…
This paper extends the Radon transform, a classical image processing tool for fast tomography and denoising, to the quantum computing platform. A new kind of periodic discrete Radon transform (PDRT), called quantum Radon transform (QRT), is…
The manuscript describes fast and scalable architectures and associated algorithms for computing convolutions and cross-correlations. The basic idea is to map 2D convolutions and cross-correlations to a collection of 1D convolutions and…
This paper reports the development of a Python Non-Uniform Fast Fourier Transform (PyNUFFT) package, which accelerates non-Cartesian image reconstruction on heterogeneous platforms. Scientific computing with Python encompasses a mature and…
The current bulk materials discovery cycle has several inefficiencies from initial computational predictions through fabrication and analyses. Materials are generally evaluated in a singular fashion, relying largely on human-driven…
A concise and highly performant branchless formulation of a Joseph-type interpolating ray-casting algorithm for the computation of X-ray projections is presented. It efficiently utilizes the hardware resources of modern graphics processing…
McXtrace is an established Monte Carlo based ray-tracing tool to simulate synchrotron beamlines and X-ray laboratory instruments. This work explains and demonstrates the new capability of GPU-accelerated McXtrace ray-tracing simulations.…
Existing 2D methods utilize UNet-based diffusion models to generate multi-view physically-based rendering (PBR) maps but struggle with multi-view inconsistency, while some 3D methods directly generate UV maps, encountering generalization…
The availability of precise and accurate simulation is a limiting factor for interpreting and forecasting data in many fields of science and engineering. Often, one or more distinct simulation software applications are developed, each with…
Materials modelling and processing require experiments to visualize and quantify how external excitations drive the evolution of deep subsurface structure and defects that determine properties. Today, 3D movies with ~100-nm resolution of…
Recent innovations in x-ray technology (namely phase-based and energy-resolved imaging) offer unprecedented opportunities for material discrimination, however they are often used in isolation or in limited combinations. Here we show that…
Previous RGB-D salient object detection (SOD) methods have widely adopted deep learning tools to automatically strike a trade-off between RGB and D (depth), whose key rationale is to take full advantage of their complementary nature, aiming…
3D Gaussian splatting (3D-GS) is a new rendering approach that outperforms the neural radiance field (NeRF) in terms of both speed and image quality. 3D-GS represents 3D scenes by utilizing millions of 3D Gaussians and projects these…
Infrared small target detection (IRSTD) is critical for defense and surveillance but remains challenging due to (1) target loss from minimal features, (2) false alarms in cluttered environments, (3) missed detections from low saliency, and…
Classifying a crystalline solid's phase using X-ray diffraction (XRD) is a challenging endeavor, first because this is a poorly constrained problem as there are nearly limitless candidate phases to compare against a given experimental…
The present paper reports sim-trhepd-rheed (STR), an open-source simulator of total-reflection high-energy positron diffraction (TRHEPD) and reflection high-energy electron diffraction (RHEED) experiments which are used for atom-scale…
Generative models for high-quality materials are particularly desirable to make 3D content authoring more accessible. However, the majority of material generation methods are trained on synthetic data. Synthetic data provides precise…
We explore the framework of a real-time coupled cluster method with a focus on improving its computational efficiency. Propagation of the wave function via the time-dependent Schr\"odinger equation places high demands on computing…