Woong Shin

Yiyang Lu, Woong Shin, Ahmad Maroof Karimi et al.

Vision-Language Models (VLMs) frequently misread values, hallucinate details, and confuse overlapping elements in charts. Current approaches rely solely on pixel interpretation, creating a Pixel-Only Bottleneck: agents treat interactive charts as static images, losing access to the structured specification that encodes exact values. We introduce Introspective and Interactive Visual Grounding (IVG), a framework that combines (1) spec-grounded introspection, which queries the underlying specification for deterministic evidence, with (2) view-grounded interaction, which manipulates the view to resolve visual ambiguity. To enable evaluation without VLM bias, we present iPlotBench, a benchmark of 500 interactive Plotly figures with 6,706 binary questions and ground-truth specifications. Experiments show that introspection improves data reconstruction fidelity, while the combination with interaction achieves the highest QA accuracy (0.81), with +6.7 % gains on overlapping geometries. We further demonstrate IVG in deployed agents that explore data autonomously and collaborate with human users in real time.

Renan Souza, Timothy Poteet, Brian Etz et al.

Modern scientific discovery increasingly relies on workflows that process data across the Edge, Cloud, and High Performance Computing (HPC) continuum. Comprehensive and in-depth analyses of these data are critical for hypothesis validation, anomaly detection, reproducibility, and impactful findings. Although workflow provenance techniques support such analyses, at large scale, the provenance data become complex and difficult to analyze. Existing systems depend on custom scripts, structured queries, or static dashboards, limiting data interaction. In this work, we introduce an evaluation methodology, reference architecture, and open-source implementation that leverages interactive Large Language Model (LLM) agents for runtime data analysis. Our approach uses a lightweight, metadata-driven design that translates natural language into structured provenance queries. Evaluations across LLaMA, GPT, Gemini, and Claude, covering diverse query classes and a real-world chemistry workflow, show that modular design, prompt tuning, and Retrieval-Augmented Generation (RAG) enable accurate and insightful LLM agent responses beyond recorded provenance.

Woong Shin, Renan Souza, Daniel Rosendo et al.

Modern scientific discovery increasingly requires coordinating distributed facilities and heterogeneous resources, forcing researchers to act as manual workflow coordinators rather than scientists. Advances in AI leading to AI agents show exciting new opportunities that can accelerate scientific discovery by providing intelligence as a component in the ecosystem. However, it is unclear how this new capability would materialize and integrate in the real world. To address this, we propose a conceptual framework where workflows evolve along two dimensions which are intelligence (from static to intelligent) and composition (from single to swarm) to chart an evolutionary path from current workflow management systems to fully autonomous, distributed scientific laboratories. With these trajectories in mind, we present an architectural blueprint that can help the community take the next steps towards harnessing the opportunities in autonomous science with the potential for 100x discovery acceleration and transformational scientific workflows.