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Quantitative Movement Testing: Measuring Patient Movements from a Single Smartphone Video Vision-Language Models Suppress Female Representations Under Ambiguous Input The New Social Image: How AI Competency and AI Proactivity Influence Self- and Peer-Perceptions in the Workplace TUX: Measuring Human--AI Tacit Understanding LLUMI: Improving LLM Writing Assistance for Mental Health Support with Online Community Feedback VideoFDB: Evaluating Full-Duplex Vision-Speech Capabilities in Conversational Agents Label Over Logic? How Source Cues Bias Human Fallacy Judgments More Than LLMs Inform, Coach, Relate, Listen: Auditing LLM Caregiving Support Roles How Coding Agents Fail Their Users: A Large-Scale Analysis of Developer-Agent Misalignment in 20,574 Real-World Sessions MetaRanker: Human-in-the-loop Active Ranking for Metalens Image Quality Analyzing Persona Effects in Generated Explanations from Multimodal LLM Agents in Urban Perception First head-to-head comparison of agentic AI applied to the analysis of simulated data of the Einstein Telescope Granuscore: A Reference-Free Measure of Granularity for Text Analysis and Question Answering The Timing Dependencies of Trust: Speed, Accuracy, and cBCI Neuro-Decoupling in Human-AI Teams Bayesian Distributional Models of Executive Functioning Visual Matters: Connecting Aesthetic Appeal and Production Quality of Photos, Infographics and Data Visualizations to Credibility of Social Media Posts Data-driven Head Motion Generation through Natural Gaze-Head Coordination Agreement Metrics for LLM-as-Judge Evaluation: What to Report and Why Perceptually Lossless Tactile Texture Synthesis with Compact Spectral Envelope Models MambaGaze: Bidirectional Mamba with Explicit Missing Data Modeling for Cognitive Load Assessment from Eye-Gaze Tracking Data CogAdapt: Transferring Clinical ECG Foundation Models to Wearable Cognitive Load Assessment via Lead Adaptation Augmented Analytics and Decision Quality: The Role of Trust among Non-Technical BI Users Faster Completion, Less Learning: Generative AI Reduced Study Time on Math Problems and the Knowledge They Build PaintCopilot: Modeling Painting as Autonomous Artistic Continuation Personality Engineering with AI Agents: A New Methodology for Negotiation Research PULSE: Agentic Investigation with Passive Sensing for Proactive Intervention in Cancer Survivorship Access Timing as Scaffolding: A Reinforcement Learning Approach to GenAI in Education Conversations in Space: Structuring Non-Linear LLM Interactions on a Canvas MAPLE: Self-Supervised Learning-Enhanced Nonlinear Dimensionality Reduction for Visual Analysis nASR: An End-to-End Trainable Neural Layer for Channel-Level EEG Artifact Subspace Reconstruction in Real-Time BCI
Continuous Scatterplot and Image Moments for Time-Varying...
Mohit Sharma, Talha Bin Masood, Nanna Holmgaard List, Ingrid Hot · 2025-02-24 · via cs.HC updates on arXiv.org

Photoinduced electronic transitions are complex quantum-mechanical processes where electrons move between energy levels due to light absorption. This induces dynamics in electronic structure and nuclear geometry, driving important physical and chemical processes in fields like photobiology, materials design, and medicine. The evolving electronic structure can be characterized by two electron density fields: hole and particle natural transition orbitals (NTOs). Studying these density fields helps understand electronic charge movement between donor and acceptor regions within a molecule. Previous works rely on side-by-side visual comparisons of isosurfaces, statistical approaches, or bivariate field analysis with few instances. We propose a new method to analyze time-varying bivariate fields with many instances, which is relevant for understanding electronic structure changes during light-induced dynamics. Since NTO fields depend on nuclear geometry, the nuclear motion results in numerous time steps to analyze. This paper presents a structured approach to feature-directed visual exploration of time-varying bivariate fields using continuous scatterplots (CSPs) and image moment-based descriptors, tailored for studying evolving electronic structures post-photoexcitation. The CSP of the bivariate field at each time step is represented by a four-length image moment vector. The collection of all vector descriptors forms a point cloud in R^4, visualized using principal component analysis. Selecting appropriate principal components results in a representation of the point cloud as a curve on the plane, aiding tasks such as identifying key time steps, recognizing patterns within the bivariate field, and tracking the temporal evolution. We demonstrate this with two case studies on excited-state molecular dynamics, showing how bivariate field analysis provides application-specific insights.