Empirical models, fitted to data from observations, are often used in natural sciences to describe physical behaviour and support discoveries. However, with more complex models, the regression of parameters quickly becomes insufficient, requiring a visual parameter space analysis to understand and optimize the models. In this work, we present a design study for building a model describing atmospheric convection. We present a mixed-initiative approach to visually guided modelling, integrating an interactive visual parameter space analysis with partial automatic parameter optimization. Our approach includes a new, semi-automatic technique called IsoTrotting, where we optimize the procedure by navigating along isocontours of the model. We evaluate the model with unique observational data of atmospheric convection based on flight trajectories of paragliders.

Understanding large amounts of spatiotemporal data from particle-based simulations, such as molecular dynamics, often relies on the computation and analysis of aggregate measures. These, however, by virtue of aggregation, hide structural information about the space/time localization of the studied phenomena. This leads to degenerate cases where the measures fail to capture distinct behaviour. In order to drill into these aggregate values, we propose a multi-scale visual exploration technique. Our novel representation, based on partial domain aggregation, enables the construction of a continuous scale-space for discrete datasets and the simultaneous exploration of scales in both space and time. We link these two scale-spaces in a scale-space space-time cube and model linked views as orthogonal slices through this cube, thus enabling the rapid identification of spatio-temporal patterns at multiple scales. To demonstrate the effectiveness of our approach, we showcase an advanced exploration of a protein-ligand simulation.