Related papers: MDsrv -- visual sharing and analysis of molecular …
Molecular Dynamics simulations can help scientists to gather valuable insights for physical processes on an atomic scale. This work explores various techniques for SIMD vectorization to improve the pairwise force calculation between…
Molecular dynamics simulations are a powerful tool to study diffusion processes in battery electrolyte and electrode materials. From a single molecular dynamics simulation many properties relevant to diffusion can be obtained, including the…
Autonomous systems, such as self-driving cars, rely on reliable semantic environment perception for decision making. Despite great advances in video semantic segmentation, existing approaches ignore important inductive biases and lack…
This paper presents a new technique for the virtual reality (VR) visu-alization of complex volume images obtained from computer tomography (CT) and Magnetic Resonance Imaging (MRI) by combining three-dimensional (3D) mesh processing and…
In recent years, Multi-View Clustering (MVC) has attracted increasing attention for its potential to reduce the annotation burden associated with large datasets. The aim of MVC is to exploit the inherent consistency and complementarity…
Much of our mechanistic understanding of the functions of biological macromolecules is based on static structural experiments, which can be modelled either as single structures or conformational ensembles. While these provide us with…
Volumetric biomedical microscopy has the potential to increase the diagnostic information extracted from clinical tissue specimens and improve the diagnostic accuracy of both human pathologists and computational pathology models.…
Self-supervised pretraining from static structures of drug-like compounds and proteins enable powerful learned feature representations. Learned features demonstrate state of the art performance on a range of predictive tasks including…
Understanding the dynamic behavior of biomolecules is fundamental to elucidating biological function and facilitating drug discovery. While Molecular Dynamics (MD) simulations provide a rigorous physical basis for studying these dynamics,…
Molecular simulation is a scientific tool dealing with challenges in material science and biology. This is reflected in a permanent development and enhancement of algorithms within scientific simulation packages. Here, we present…
Multivariate time series (MTS) have become increasingly common in healthcare domains where human vital signs and laboratory results are collected for predictive diagnosis. Recently, there have been increasing efforts to visualize healthcare…
Effective data visualization is a key part of the discovery process in the era of big data. It is the bridge between the quantitative content of the data and human intuition, and thus an essential component of the scientific path from data…
Event-based vision sensors, such as the Dynamic Vision Sensor (DVS), are ideally suited for real-time motion analysis. The unique properties encompassed in the readings of such sensors provide high temporal resolution, superior sensitivity…
Understanding protein conformational dynamics is essential for elucidating biological function but remains challenging due to the wide range of timescales and the complexity of collective motions. Enhanced sampling methods overcome…
Musculoskeletal disorders (MSDs) are a leading cause of disability worldwide, requiring advanced diagnostic and therapeutic tools for personalised assessment and treatment. Effective management of MSDs involves the interaction of…
Interactive volume visualization using a mixed reality (MR) system helps provide users with an intuitive spatial perception of volumetric data. Due to sophisticated requirements of user interaction and vision when using MR head-mounted…
In this work, we present a method and two large-scale datasets for Script-Driven Multimodal Video Summarization. The proposed method, SD-MVSum, builds on our earlier SD-VSum method for script-driven video summarization, which considered…
Sophisticated visualization tools are essential for the presentation and exploration of human neuroimaging data. While two-dimensional orthogonal views of neuroimaging data are conventionally used to display activity and statistical…
Molecular graph representation learning is a fundamental problem in modern drug and material discovery. Molecular graphs are typically modeled by their 2D topological structures, but it has been recently discovered that 3D geometric…
Vision-language models (VLM) excel at general understanding yet remain weak at dynamic spatial reasoning (DSR), i.e., reasoning about the evolvement of object geometry and relationship in 3D space over time, largely due to the scarcity of…