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Coarse-grained (CG) models play a crucial role in the study of protein structures, protein thermodynamic properties, and protein conformation dynamics. Due to the information loss in the coarse-graining process, backmapping from CG to…
We use machine learning to perform super-resolution analysis of grossly under-resolved turbulent flow field data to reconstruct the high-resolution flow field. Two machine-learning models are developed; namely the convolutional neural…
Modelling micro- and meso-scopic scale thermodynamic and transport properties of soft condensed matter hinges upon its representation. This is especially relevant for polar solvents such as water, since these require effective…
Coarse-graining or model reduction is a term describing a range of approaches used to extend the time-scale of molecular simulations by reducing the number of degrees of freedom. In the context of molecular simulation, standard…
We present a novel up-resing technique for generating high-resolution liquids based on scene flow estimation using deep neural networks. Our approach infers and synthesizes small- and large-scale details solely from a low-resolution…
The simulation of high-energy physics collision events is a key element for data analysis at present and future particle accelerators. The comparison of simulation predictions to data allows looking for rare deviations that can be due to…
Occlusions between consecutive frames have long posed a significant challenge in optical flow estimation. The inherent ambiguity introduced by occlusions directly violates the brightness constancy constraint and considerably hinders…
High-throughput biological imaging is often constrained by a trade-off between acquisition speed and image quality. Fast imaging modalities, such as wide-field fluorescence microscopy, enable large-scale data acquisition but suffer from…
Quantitative image analysis often depends on accurate classification of pixels through a segmentation process. However, imaging artifacts such as the partial volume effect and sensor noise complicate the classification process. These…
Modern machine-learning techniques are generally considered data-hungry. However, this may not be the case for turbulence as each of its snapshots can hold more information than a single data file in general machine-learning settings. This…
Complex fluids exhibit structure on a wide range of length and time scales, and hierarchical approaches are necessary to investigate all facets of their often unusual properties. The study of idealized coarse-grained models at different…
Large displacement optical flow is an integral part of many computer vision tasks. Variational optical flow techniques based on a coarse-to-fine scheme interpolate sparse matches and locally optimize an energy model conditioned on colour,…
High-fidelity, high-resolution numerical simulations are crucial for studying complex multiscale phenomena in fluid dynamics, such as turbulent flows and ocean waves. However, direct numerical simulations with high-resolution solvers are…
-Molecular simulations allow the study of properties and interactions of molecular systems. This article presents an improved version of the Adaptive Resolution Scheme that links two systems having atomistic (also called fine-grained) and…
Coarse-grained (CG) models facilitate an efficient exploration of complex systems by reducing the unnecessary degrees of freedom of the fine-grained (FG) system while recapitulating major structural correlations. Unlike structural…
Novel experimental modalities acquire spatially resolved velocity measurements for steady state and transient flows which are of interest for engineering and biological applications. One of the drawbacks of such high resolution velocity…
We present an ultra-efficient post-training method for shortcutting large-scale pre-trained flow matching diffusion models into efficient few-step samplers, enabled by novel velocity field self-distillation. While shortcutting in flow…
Gaining and understanding the flow dynamics have much importance in a wide range of disciplines, e.g. astrophysics, geophysics, biology, mechanical engineering and biomedical engineering. As a reliable way in practice, especially for…
Reactive transport in permeable porous media is relevant for a variety of applications, but poses a significant challenge due to the range of length and time scales. Multiscale methods that aim to link microstructure with the macroscopic…
Flow-based models typically define a latent space with dimensionality identical to the observational space. In many problems, however, the data does not populate the full ambient data space that they natively reside in, rather inhabiting a…