GRAIL: AI translation for scientists application workflow on satellite data

Scientific workflow systems automate execution -- scheduling, fault tolerance, resource management -- but not the semantic translation that precedes it. Scientists still manually convert research questions into workflow specifications, a task requiring both domain knowledge and infrastructure expertise. We propose an agentic architecture that closes this gap through three layers: an LLM interprets natural language into structured intents (semantic layer); validated generators produce reproducible workflow DAGs (deterministic layer); and domain experts author ``Skills'': markdown documents encoding vocabulary mappings, parameter constraints, and optimization strategies (knowledge layer). This decomposition confines LLM non-determinism to intent extraction: identical intents always yield identical workflows. We implement and evaluate the architecture on the 1000 Genomes population genetics workflow and Hyperflow WMS running on Kubernetes. In an ablation study on 150 queries, Skills raise full-match intent accuracy from 44% to 83%; skill-driven deferred workflow generation reduces data transfer by 92%; and the end-to-end pipeline completes queries on Kubernetes with LLM overhead below 15 seconds and cost under $0.001 per query.

EDA scripting with tool-specific, often undocumented APIs remains a long-tail bottleneck that existing LLMs fail to address. This paper presents ZhuLong, an execution-grounded LLM coding agent for PyAether and SKILL that combines API retrieval, documentation inspection, and sandbox execution via unified MCP tools, augmented by an offline API self-exploration mechanism that infers undocumented API behaviors through counterfactual experimentation. We evaluate ZhuLong on EDA-Eval-PyAether, a benchmark of 158 real-world tasks with assertion-based execution, where the complete system achieves 78.5% Pass@1 in the commercial Empyrean Aether environment, substantially outperforming a pure LLM baseline (23.6%). Ablation studies identify sandbox execution as the dominant performance driver (41.2 pp drop when removed), with the self-exploration mechanism contributing an additional 3.2 pp accuracy gain and a 22.1% reduction in per-task tool calls. On 20 interactive tasks involving unsaved layouts and schematics, ZhuLong achieves 60.0% Pass@1 for PyAether and 50.0% for SKILL.

Large language models (LLMs) are increasingly used to automate data-processing workflows, yet coding agents typically produce scripts that are not automatically materialized as persistent, editable platform artifacts. We call this disconnect the \textit{NL2Pipeline gap}. To bridge it, we introduce \textsc{DataFlow-Harness}, a platform that guides an LLM agent to construct platform-native directed acyclic graphs (DAGs) through typed, incremental mutations rather than free-form scripts. The platform combines \textsc{DataFlow-Skills} for procedural guidance, a Model Context Protocol (MCP) layer that exposes the live operator registry and current pipeline state, and \textsc{DataFlow-WebUI}, which synchronizes conversational authoring with a visual DAG editor. On a 12-task data-engineering benchmark, \textsc{DataFlow-Harness} achieves a 93.3% observed end-to-end pass rate. Relative to Vanilla Claude Code, it reduces measured monetary cost by 72.5% and generation latency by 49.9%; its observed pass rate is within 0.9 percentage points of the Context-Aware Claude Code baseline while its cost is 42.8% lower. Per-task analysis indicates that Skills are most useful when construction depends on implicit procedural knowledge. These results show that live platform grounding can produce persistent, editable workflow artifacts with an observed reliability close to script-generation baselines and with lower measured construction cost and latency.