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Extensively exploring protein conformational landscapes remains a major challenge in computational biology due to the high computational cost involved in dynamic physics-based simulations. In this work, we propose a novel pipeline, MoDyGAN,…
LiDAR scanning for surveying applications acquire measurements over wide areas and long distances, which produces large-scale 3D point clouds with significant local density variations. While existing 3D semantic segmentation models conduct…
Recently, researchers in Machine Learning algorithms, Computer Vision scientists, engineers and others, showed a growing interest in 3D simulators as a mean to artificially create experimental settings that are very close to those in the…
Plasma physics simulations create complex datasets for which researchers need state-of-the-art visualization tools to gain insights. These datasets are 3D in nature but are commonly depicted and analyzed using 2D idioms displayed on 2D…
LiDAR semantic segmentation models are typically trained from random initialization as universal pre-training is hindered by the lack of large, diverse datasets. Moreover, most point cloud segmentation architectures incorporate custom…
Machine learning methods have shown promise in predicting molecular properties, and given sufficient training data machine learning approaches can enable rapid high-throughput virtual screening of large libraries of compounds. Graph-based…
Convolutional Neural Networks (CNNs) have emerged as a powerful strategy for most object detection tasks on 2D images. However, their power has not been fully realised for detecting 3D objects in point clouds directly without converting…
In this contribution, cylindrical samples consisting of monodisperse soft (rubber) and stiff (glass) particles are pre-stressed under uniaxial compression. Acoustic P-waves at ultrasound frequencies are superimposed into prepared samples…
We present iSLAT (the Interactive Spectral-Line Analysis Tool), a python-based graphical tool that allows users to interactively explore and manually fit line emission observed in molecular spectra. iSLAT adopts a simple slab model that…
We present a method that detects boundaries of parts in 3D shapes represented as point clouds. Our method is based on a graph convolutional network architecture that outputs a probability for a point to lie in an area that separates two or…
Despite their outstanding accuracy, semi-supervised segmentation methods based on deep neural networks can still yield predictions that are considered anatomically impossible by clinicians, for instance, containing holes or disconnected…
When studying multi-body protein complexes, biochemists use computational tools that can suggest hundreds or thousands of their possible spatial configurations. However, it is not feasible to experimentally verify more than only a very…
In recent years, there has been rapid development in 3D generation models, opening up new possibilities for applications such as simulating the dynamic movements of 3D objects and customizing their behaviors. However, current 3D generative…
We introduce Perceval, an open-source software platform for simulating and interfacing with discrete-variable photonic quantum computers, and describe its main features and components. Its Python front-end allows photonic circuits to be…
This paper targets on learning-based novel view synthesis from a single or limited 2D images without the pose supervision. In the viewer-centered coordinates, we construct an end-to-end trainable conditional variational framework to…
In this article we report the release of a new program for batch processing and visualization of powder diffraction data. The program, which is free-of-charge for non-commercial use and can be obtained with its detailed documentation from…
We propose PyViT-FUSE, a foundation model for earth observation data explicitly designed to handle multi-modal imagery by learning to fuse an arbitrary number of mixed-resolution input bands into a single representation through an attention…
Simulation ensembles are a common tool in physics for understanding how a model outcome depends on input parameters. We analyze an active particle system, where each particle can use energy from its surroundings to propel itself. A…
DataViz3D is an innovative online software that transforms complex datasets into interactive 3D spatial models using holographic technology. This tool enables users to generate scatter plot within a 3D space, accurately mapped to the XYZ…
For 3D object detection, both camera and lidar have been demonstrated to be useful sensory devices for providing complementary information about the same scenery with data representations in different modalities, e.g., 2D RGB image vs 3D…