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Measuring the limit of perception of bond stiffness of interactive molecules in VR via a gamified psychophysics experiment

Rhoslyn Roebuck Williams, Jonathan Barnoud, Luis Toledo, Till Holzapfel, David R. Glowacki

TL;DR

This work tackles the problem of perceiving molecular bond stiffness in immersive VR without physical haptics. It introduces a gamified 2AFC psychophysics framework within iMD-VR (Subtle Game) to quantify the perception threshold for buckyball stiffness when interacted with VR controllers versus hand tracking. The study finds a finer perceptual limit around $0.73x$ to $1.28x$ scaling (with overall bounds $JND_l=0.64$, $JND_u=1.40$) and notes more consistent discrimination using controllers, placing the perceptual threshold within chemically meaningful ranges. This approach demonstrates a path toward embodied molecular exploration and unsupervised citizen-science data collection in VR for diverse molecular systems.

Abstract

Molecular dynamics (MD) simulations provide crucial insight into molecular interactions and biomolecular function. With interactive MD simulations in VR (iMD-VR), chemists can now interact with these molecular simulations in real-time. Our sense of touch is essential for exploring the properties of physical objects, but recreating this sensory experience for virtual objects poses challenges. Furthermore, employing haptics in the context of molecular simulation is especially difficult since \textit{we do not know what molecules actually feel like}. In this paper, we build upon previous work that demonstrated how VR-users can distinguish properties of molecules without haptic feedback. We present the results of a gamified two-alternative forced choice (2AFC) psychophysics user study in which we quantify the threshold at which iMD-VR users can differentiate the stiffness of molecular bonds. Our preliminary analysis suggests that participants can sense differences between buckminsterfullerene molecules with different bond stiffness parameters and that this limit may fall within the chemically relevant range. Our results highlight how iMD-VR may facilitate a more embodied way of exploring complex and dynamic molecular systems, enabling chemists to sense the properties of molecules purely by interacting with them in VR.

Measuring the limit of perception of bond stiffness of interactive molecules in VR via a gamified psychophysics experiment

TL;DR

This work tackles the problem of perceiving molecular bond stiffness in immersive VR without physical haptics. It introduces a gamified 2AFC psychophysics framework within iMD-VR (Subtle Game) to quantify the perception threshold for buckyball stiffness when interacted with VR controllers versus hand tracking. The study finds a finer perceptual limit around to scaling (with overall bounds , ) and notes more consistent discrimination using controllers, placing the perceptual threshold within chemically meaningful ranges. This approach demonstrates a path toward embodied molecular exploration and unsupervised citizen-science data collection in VR for diverse molecular systems.

Abstract

Molecular dynamics (MD) simulations provide crucial insight into molecular interactions and biomolecular function. With interactive MD simulations in VR (iMD-VR), chemists can now interact with these molecular simulations in real-time. Our sense of touch is essential for exploring the properties of physical objects, but recreating this sensory experience for virtual objects poses challenges. Furthermore, employing haptics in the context of molecular simulation is especially difficult since \textit{we do not know what molecules actually feel like}. In this paper, we build upon previous work that demonstrated how VR-users can distinguish properties of molecules without haptic feedback. We present the results of a gamified two-alternative forced choice (2AFC) psychophysics user study in which we quantify the threshold at which iMD-VR users can differentiate the stiffness of molecular bonds. Our preliminary analysis suggests that participants can sense differences between buckminsterfullerene molecules with different bond stiffness parameters and that this limit may fall within the chemically relevant range. Our results highlight how iMD-VR may facilitate a more embodied way of exploring complex and dynamic molecular systems, enabling chemists to sense the properties of molecules purely by interacting with them in VR.
Paper Structure (9 sections, 1 equation, 2 figures, 1 table)

This paper contains 9 sections, 1 equation, 2 figures, 1 table.

Table of Contents

  1. Introduction
  2. Materials and methods
  3. Preparing the simulations.
  4. Study design
  5. Participants.
  6. Experimental design.
  7. Results and discussion
  8. Conclusions and future work
  9. Acknowledgements

Figures (2)

  • Figure 1: Showing first-person perspective screenshots of a player using their hands to perform the 2AFC psychophysics experiment: (a) a player interacting with the molecules, (b) selecting their answer, (c) feedback on whether the answer was correct, and (d) a UI panel with additional information that is visible during the task.
  • Figure 2: Showing the results of the 2AFC experiment for (a) all data across the entire game (top left), (b) the data for hand tracking vs. controllers across the entire game (top right), (c) the data for hand tracking vs. controllers when it was participants' first interaction mode (bottom left), the data for hand tracking vs. controllers when it was participants' second interaction mode. The curves were fitted to a Weibull cumulative distribution function using scipy.optimise.curve_fit in a Python script.