@article{SterzikLichtenbergKroneetal.2023, author = {Sterzik, Anna and Lichtenberg, Nils and Krone, Michael and Baum, Daniel and Cunningham, Douglas W. and Lawonn, Kai}, title = {Enhancing molecular visualization: Perceptual evaluation of line variables with application to uncertainty visualization}, volume = {114}, journal = {Computers \& Graphics}, doi = {10.1016/j.cag.2023.06.006}, pages = {401 -- 413}, year = {2023}, abstract = {Data are often subject to some degree of uncertainty, whether aleatory or epistemic. This applies both to experimental data acquired with sensors as well as to simulation data. Displaying these data and their uncertainty faithfully is crucial for gaining knowledge. Specifically, the effective communication of the uncertainty can influence the interpretation of the data and the user's trust in the visualization. However, uncertainty-aware visualization has gotten little attention in molecular visualization. When using the established molecular representations, the physicochemical attributes of the molecular data usually already occupy the common visual channels like shape, size, and color. Consequently, to encode uncertainty information, we need to open up another channel by using feature lines. Even though various line variables have been proposed for uncertainty visualizations, they have so far been primarily used for two-dimensional data and there has been little perceptual evaluation. Thus, we conducted two perceptual studies to determine the suitability of the line variables blur, dashing, grayscale, sketchiness, and width for distinguishing several values in molecular visualizations. While our work was motivated by uncertainty visualization, our techniques and study results also apply to other types of scalar data.}, language = {en} } @article{SterzikKroneBaumetal.2025, author = {Sterzik, Anna and Krone, Michael and Baum, Daniel and Cunningham, Douglas W. and Lawonn, Kai}, title = {Uncertainty Visualization for Biomolecular Structures: An Empirical Evaluation}, volume = {31}, journal = {IEEE Transactions on Visualization and Computer Graphics}, number = {12}, doi = {10.1109/TVCG.2025.3596385}, pages = {10296 -- 10310}, year = {2025}, abstract = {Uncertainty is an intrinsic property of almost all data, regardless of the data being measured, simulated, or generated. It can significantly influence the results and reliability of subsequent analysis steps. Clearly communicating uncertainties is crucial for informed decision-making and understanding, especially in biomolecular data, where uncertainty is often difficult to infer. Uncertainty visualization (UV) is a powerful tool for this purpose. However, previously proposed UV methods lack sufficient empirical evaluation. We collected and categorized visualization methods for portraying positional uncertainty in biomolecular structures. We then organized the methods into metaphorical groups and extracted nine representatives: color, clouds, ensemble, hulls, sausages, contours, texture, waves, and noise. We assessed their strengths and weaknesses in a twofold approach: expert assessments with six domain experts and three perceptual evaluations involving 1,756 participants. Through the expert assessments, we aimed to highlight the advantages and limitations of the individual methods for the application domain and discussed areas for necessary improvements. Through the perceptual evaluation, we investigated whether the visualizations are intuitively associated with uncertainty and whether the directionality of the mapping is perceived as intended. We also assessed the accuracy of inferring uncertainty values from the visualizations. Based on our results, we judged the appropriateness of the metaphors for encoding uncertainty and suggest further areas for improvement.}, language = {en} }