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Advances in deep learning models have revolutionized the study of biomolecule systems and their mechanisms. Graph representation learning, in particular, is important for accurately capturing the geometric information of biomolecules at…

Quantitative Methods · Quantitative Biology 2023-04-07 Xinye Xiong , Bingxin Zhou , Yu Guang Wang

Visual representation learning has been a cornerstone in computer vision, involving typical forms such as visual embeddings, structural symbols, and text-based representations. Despite the success of CLIP-type visual embeddings, they often…

Computer Vision and Pattern Recognition · Computer Science 2024-06-18 Yiwu Zhong , Zi-Yuan Hu , Michael R. Lyu , Liwei Wang

Accurate physical modeling with 3D-printing techniques could lead to new approaches to study structure and dynamics of biological systems complementing computational methods. Computational biology has become an important part of research…

Other Computer Science · Computer Science 2015-07-14 Promita Chakraborty

We present the visual analysis of our novel parameter study of porous media experiments, focusing on gaining a better understanding of drainage processes on the micro-scale. We analyze the temporal evolution of extracted characteristic…

Designing a visualization is often a process of iterative refinement where the designer improves a chart over time by adding features, improving encodings, and fixing mistakes. However, effective design requires external critique and…

Human-Computer Interaction · Computer Science 2023-03-14 Sungbok Shin , Sanghyun Hong , Niklas Elmqvist

Vision language models (VLMs) have shown impressive capabilities across a variety of tasks, from logical reasoning to visual understanding. This opens the door to richer interaction with the world, for example robotic control. However, VLMs…

Proteins are fundamental biological entities mediating key roles in cellular function and disease. This paper introduces a multi-scale graph construction of a protein -- HoloProt -- connecting surface to structure and sequence. The surface…

Machine Learning · Computer Science 2022-04-06 Vignesh Ram Somnath , Charlotte Bunne , Andreas Krause

A comparative classification scheme provides a good basis for several approaches to understand proteins, including prediction of relations between their structure and biological function. But it remains a challenge to combine a…

Biomolecules · Quantitative Biology 2015-05-20 Shuangwei Hu , Andrei Krokhotin , Antti J. Niemi , Xubiao Peng

Geometry and topology are the main factors that determine the functional properties of proteins. In this work, we show how to use the Gauss linking integral (GLN) in the form of a matrix diagram - for a pair of a loop and a tail - to study…

Biomolecules · Quantitative Biology 2020-05-12 Wanda Niemyska , Kenneth C. Millett , Joanna I. Sulkowska

While there has been significant progress in evaluating and comparing different representations for learning on protein data, the role of surface-based learning approaches remains not well-understood. In particular, there is a lack of…

Machine Learning · Computer Science 2025-10-23 Vincent Mallet , Souhaib Attaiki , Yangyang Miao , Bruno Correia , Maks Ovsjanikov

The human visual system is an intricate network of brain regions that enables us to recognize the world around us. Despite its abundant lateral and feedback connections, object processing is commonly viewed and studied as a feedforward…

Neurons and Cognition · Quantitative Biology 2019-10-09 Tim C Kietzmann , Courtney J Spoerer , Lynn Sörensen , Radoslaw M Cichy , Olaf Hauk , Nikolaus Kriegeskorte

Neural networks are widely adopted to solve complex and challenging tasks. Especially in high-stakes decision-making, understanding their reasoning process is crucial, yet proves challenging for modern deep networks. Feature visualization…

Computer Vision and Pattern Recognition · Computer Science 2026-02-18 Ada Gorgun , Bernt Schiele , Jonas Fischer

A commonly recurring problem in structural protein studies, is the determination of all heavy atom positions from the knowledge of the central alpha-carbon coordinates. We employ advances in virtual reality to address the problem. The…

Biomolecules · Quantitative Biology 2014-12-30 Xubiao Peng , Alireza Chenani , Shuangwei Hu , Yifan Zhou , Antti J. Niemi

Robot grasping of desktop object is widely used in intelligent manufacturing, logistics, and agriculture.Although vision-language models (VLMs) show strong potential for robotic manipulation, their deployment in low-level grasping faces key…

Robotics · Computer Science 2026-04-14 Yiran Ling , Wenxuan Li , Siying Dong , Yize Zhang , Xiaoyao Huang , Jing Jiang , Ruonan Li , Jie Liu

The construction of business process models has become an important requisite in the analysis and optimization of processes. The success of the analysis and optimization efforts heavily depends on the quality of the models. Therefore, a…

Software Engineering · Computer Science 2015-11-13 Jan Claes , Irene Vanderfeesten , Jakob Pinggera , Hajo A. Reijers , Barbara Weber , Geert Poels

How can we design proteins with desired functions? We are motivated by a chemical intuition that both geometric structure and biochemical properties are critical to a protein's function. In this paper, we propose SurfPro, a new method to…

Biomolecules · Quantitative Biology 2024-06-19 Zhenqiao Song , Tinglin Huang , Lei Li , Wengong Jin

Designing novel protein sequences for a desired 3D topological fold is a fundamental yet non-trivial task in protein engineering. Challenges exist due to the complex sequence--fold relationship, as well as the difficulties to capture the…

Machine Learning · Computer Science 2021-06-25 Yue Cao , Payel Das , Vijil Chenthamarakshan , Pin-Yu Chen , Igor Melnyk , Yang Shen

The visualization of argumentation frameworks (AFs) is crucial for enabling a wide applicability of argumentative tools. However, their visualization is often considered only as an accompanying part of tools for computing semantics and…

Human-Computer Interaction · Computer Science 2024-09-10 Martin Nöllenburg , Christian Pirker , Anna Rapberger , Stefan Woltran , Jules Wulms

Physical representations of data offer physical and spatial ways of looking at, navigating, and interacting with data. While digital fabrication has facilitated the creation of objects with data-driven geometry, rendering data as a…

Process models depict crucial artifacts for organizations regarding documentation, communication, and collaboration. The proper comprehension of such models is essential for an effective application. An important aspect in process model…

Human-Computer Interaction · Computer Science 2021-12-01 Michael Winter , Heiko Neumann , Rüdiger Pryss , Thomas Probst , Manfred Reichert