Exploring LLM Agent Designs and Interaction Modalities for Scientific Visualization
Authors: Jackson Vonderhorst, Kuangshi Ai, Haichao Miao, Shusen Liu, Chaoli Wang
Organizations: Univ. Notre Dame · LLNL
Abstract
This paper examines how large language model (LLM) agents perform on scientific visualization (SciVis) tasks that require generating visualization workflows from natural-language instructions. We compare three representative agent designs: domain-specific agents with structured tool use, computer-use agents, and general-purpose coding agents, across 15 benchmark tasks, evaluating visualization quality, efficiency, robustness, computational cost, and the impact of persistent memory. We further study interaction modalities, including code scripts, model context protocol (MCP) or API calls, command-line interfaces (CLI), and graphical user interfaces (GUI). Our goal is to characterize the tradeoffs among representative SciVis agent configurations used in practice. The results reveal clear tradeoffs across agent designs and interaction modalities. General-purpose coding agents achieve the highest task success rates but incur greater computational cost, whereas domain-specific agents are more efficient and stable but less flexible. Computer-use agents perform well on individual operations but struggle with multi-step workflows. Across both CLI- and GUI-based settings, persistent memory improves performance over repeated trials, but its effectiveness depends on the interaction mode and the quality of feedback. These findings suggest that future SciVis systems should combine structured tool use, interactive capabilities, and adaptive memory mechanisms to balance performance, robustness, and flexibility.
Large language model (LLM) agents enable natural language interaction for scientific visualization (SciVis). Still, prior systems have essentially prioritized autonomy over human analytical control, thereby limiting transparency and human oversight. We present HiLSVA, a human-in-the-loop agentic system that supports mixed-initiative SciVis workflows. HiLSVA integrates a plan-first multi-agent architecture with explicit human oversight, stepwise provenance tracking, and learn-at-test-time adaptation from user feedback. The system supports fluid handoff between humans and agents through both natural language and direct manipulation of visualizations, while sandboxed execution ensures safe, reproducible workflows. In doing so, HiLSVA reframes agentic SciVis as a collaborative process that augments, rather than replaces, human analytical reasoning. We evaluate HiLSVA through representative case studies and a controlled user study with twelve participants of varying expertise across multiple autonomy settings. Results show that mixed-initiative interaction improves task completion, user control, and workflow transparency across different levels of user expertise, while revealing a tradeoff between execution efficiency and human oversight. These findings highlight the importance of human-centered design in agentic SciVis and guide the development of future collaborative visualization systems. We encourage readers to explore our demo video, case studies, and source code at https://hilsva.github.io/.
Recent advances in large language models (LLMs) have enabled agentic systems to translate natural-language intent into executable scientific visualization (SciVis) tasks. Despite rapid progress, the community lacks a principled and reproducible benchmark for evaluating these emerging SciVis agents in realistic, multi-step analysis settings. We present SciVisAgentBench, a comprehensive and extensible benchmark for evaluating scientific data analysis and visualization agents. Our benchmark is grounded in a structured taxonomy spanning four dimensions: application domain, data type, complexity level, and visualization operation. It currently comprises 108 expert-crafted cases covering diverse SciVis scenarios. To enable reliable assessment, we introduce a multimodal outcome-centric evaluation pipeline that combines LLM-based judging with deterministic evaluators, including image-based metrics, code checkers, rule-based verifiers, and case-specific evaluators. We also conduct a validity study with 12 SciVis experts to examine the agreement between human and LLM judges. Using this framework, we evaluate representative SciVis agents and general-purpose coding agents to establish initial baselines and reveal capability gaps. SciVisAgentBench is designed as a living benchmark to support systematic comparison, diagnose failure modes, and drive progress in agentic SciVis. The benchmark is available at https://scivisagentbench.github.io/.
Recent advances in agentic visualization have enabled the translation of natural language into executable scientific visualization (SciVis) workflows. While general-purpose coding agents show strong capabilities, they often lack the tool-specific expertise required for SciVis tasks. In this work, we present SciVisAgentSkills, a collection of reusable agent skills that augment coding agents for scientific data analysis and visualization by encoding environment assumptions, tool usage patterns, and domain heuristics across scientific tools such as ParaView, napari, VMD, and TTK. We evaluate these skills on Codex and Claude Code using SciVisAgentBench, a benchmark of 108 expert-designed multi-step tasks. Results show that agent skills improve mean task scores across the evaluated suites, with token-efficiency benefits that depend on the agent harness and tool setting. These findings highlight the importance of structured procedural knowledge for enabling reliable, long-horizon SciVis workflows, while also showing that skills should be studied alongside the execution harness that loads and applies them. The skills are available at https://github.com/KuangshiAi/SciVisAgentSkills.