Related papers: BioVEC: A program for Biomolecule Visualization wi…
Vector graphic documents present visual elements in a resolution free, compact format and are often seen in creative applications. In this work, we attempt to learn a generative model of vector graphic documents. We define vector graphic…
We present volkit, an open source library with high performance implementations of image manipulation and computer vision algorithms that focus on 3D volumetric representations. Volkit implements a cross-platform, performance-portable API…
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…
We develop a geometrically intrinsic formulation of the arbitrary-order Virtual Element Method (VEM) on polygonal cells for the numerical solution of elliptic surface partial differential equations (PDEs). The PDE is first written in…
Coarse-graining (CG) of molecular simulations simplifies the particle representation by grouping selected atoms into pseudo-beads and drastically accelerates simulation. However, such CG procedure induces information losses, which makes…
A realistic 3D anthropomorphic software model of microcalcifications may serve as a useful tool to assess the performance of breast imaging applications through simulations. We present a method allowing to simulate visually realistic…
Condensed-phase spectral line shapes encode the strength and timescale of interactions between molecules and their environments, yet these ideas are often difficult to introduce at the undergraduate level due to their reliance on formal…
In this paper we show how advanced visualization tools can help the researcher in investigating and extracting information from data. The focus is on VisIVO, a novel open source graphics application, which blends high performance…
Investigating processes in complex molecular systems, which are characterized by many variables, is a crucial problem in computational physics. These systems can be reduced to a few meaningful degrees of freedom known as collective…
Cellular electron cryo-tomography enables the 3D visualization of cellular organization in the near-native state and at submolecular resolution. However, the contents of cellular tomograms are often complex, making it difficult to…
Conformational sampling of biomolecules using molecular dynamics simulations often produces large amount of high dimensional data that makes it difficult to interpret using conventional analysis techniques. Dimensionality reduction methods…
Molecular dynamics simulations can generate atomically detailed trajectories of complex systems, but analyzing these dynamics can be challenging when systems lack well-established quantitative descriptors (features). Graph neural networks…
Molecular structures are always depicted as 2D printed form in scientific documents like journal papers and patents. However, these 2D depictions are not machine-readable. Due to a backlog of decades and an increasing amount of these…
Here we propose the Reweighted Autoencoded Variational Bayes for Enhanced Sampling (RAVE) method, a new iterative scheme that uses the deep learning framework of variational autoencoders to enhance sampling in molecular simulations. RAVE…
Abstract: Bionic learning with fused sensing, memory and processing functions outperforms artificial neural networks running on silicon chips in terms of efficiency and footprint. However, digital hardware implementation of bionic learning…
In this talk I discuss the general question of the portability of Molecular Dynamics codes for diffusive systems on parallel computers of the APE family. The intrinsic single precision arithmetics of the today available APE platforms does…
Humans have the ability of recognizing visual semantics in an unlimited granularity, but existing visual recognition algorithms cannot achieve this goal. In this paper, we establish a new paradigm named visual recognition by request…
For the self-consistent description of various plasma sources operated in the low-pressure (nonlocal, kinetic) regime, the Particle-In-Cell simulation approach, combined with the Monte Carlo treatment of collision processes (PIC/MCC), has…
This work presents a study on the computational homogenization of electro-magneto-mechanically coupled problems through the Virtual Element Method (VEM). VE-approaches have great potential for the homogenization of the physical properties…
Advances in multi-modal embeddings, and in particular CLIP, have recently driven several breakthroughs in Computer Vision (CV). CLIP has shown impressive performance on a variety of tasks, yet, its inherently opaque architecture may hinder…