RoboChemGym: A Protocol-Driven Generative Simulation Framework for Long-Horizon Chemical Manipulation
Organizations: Shanghai Artificial Intelligence Laboratory · Zhejiang University · Tsinghua University · Harbin Institute of Technology · Shanghai Jiao Tong University · The Chinese University of Hong Kong · Fudan University · Wuhan University · Beihang University · Renmin University of China
Abstract
Wet-lab experimentation serves as the gold standard for hypothesis verification in scientific discovery; yet it is inherently labor-intensive, costly, and safety-critical. Embodied agents hold the promise of automating these tedious workflows, but their development is hindered by the scarcity of real-world training data. While simulation offers a scalable alternative for producing demonstrations, current methods primarily target relatively short-horizon tasks with loosely structured interactions, failing to meet the strict procedural constraints and fine-grained manipulation demands of chemical experiments. To bridge this gap, we introduce RoboChemGym, a framework that autonomously generates high-fidelity manipulation demonstrations aligned with real-world experiment protocols, featuring a self-improving task synthesis mechanism to iteratively refine task execution and scene configurations, enabling the reliable generation of expert trajectories for complex, multi-object protocols exceeding 10 interaction steps. Furthermore, we introduce a hierarchical benchmark that systematically assesses performance across varying granularities, spanning from atomic operations to full-cycle experimental workflows. RoboChemGym sets a scalable paradigm for the automated data synthesis and capability evaluation of embodied agents in intricate chemical tasks, serving as a critical stepping stone toward fully intelligent laboratories.
Figures & tables
| Setting | Config | Level 1 | Level 2 | Level 3 |
|---|---|---|---|---|
| Clean | Ours | 89.2 | 73.4 | 52.3 |
| AM | 75.8 13.4 | 52.7 20.7 | 27.4 24.9 | |
| SM | 73.6 15.6 | 56.4 17.0 | 32.3 20.0 | |
| Random | Ours | 85.6 | 70.3 | 47.5 |
| AM | 69.7 15.9 | 48.9 21.4 | 21.2 26.3 | |
| SM | 64.1 21.5 | 51.8 18.5 | 25.4 22.1 |
| Level-1 (3-step) | Level-2 (7-step) | |||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Method | A1 | A2 | A3 | Full Seq | A1 | A2 | A3 | A4 | A5 | A6 | A7 | Full Seq |
| 14.3 | 4.7 | 1.3 | 0.8 | 11.5 | 3.1 | 0.8 | 0.2 | 0 | 0 | 0 | 0 | |
| 90.2 | 82.5 | 75.6 | 55.4 ↑ 54.6 | 84.5 | 72.1 | 60.4 | 50.2 | 42.1 | 30.5 | 22.4 | 18.2 ↑ 18.2 | |
| 94.1 | 88.6 | 82.3 | 68.5 ↑ 67.7 | 88.5 | 78.4 | 68.2 | 58.4 | 48.5 | 40.2 | 32.5 | 28.4 ↑ 28.4 | |
| ACT clean | 72.0 | 62.5 | 50.4 | 22.5 | 65.5 | 52.3 | 40.1 | 32.5 | 24.8 | 15.2 | 8.5 | 5.2 |
| ACT random | 80.5 | 70.2 | 60.1 | 35.2 | 72.1 | 58.4 | 45.2 | 38.6 | 30.1 | 22.4 | 15.8 | 12.4 |
| Level-3 (11-step) | ||||||||||||
| Method | A1 | A2 | A3 | A4 | A5 | A6 | A7 | A8 | A9 | A10 | A11 | Full Seq |
| 9.5 | 2.1 | 0.5 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | |
| 84.4 | 72.0 | 60.3 | 50.1 | 42.0 | 30.4 | 22.3 | 16.1 | 11.6 | 8.3 | 6.0 | 0.5 ↑ 0.5 | |
| 88.4 | 78.3 | 68.1 | 58.3 | 48.4 | 40.1 | 32.4 | 23.3 | 16.8 | 12.1 | 8.7 | 1.7 ↑ 1.7 | |
| Task | Position | Clutter | Clean Real | RoboChemGym | Combined |
|---|---|---|---|---|---|
| Solid Weighing | Seen-Position | No | 19.8 | 20.5 | 41.8 |
| Yes | 14.9 | 17.2 | 38.5 | ||
| Unseen-Position | No | 13.2 | 16.8 | 36.9 | |
| Yes | 9.1 | 13.5 | 32.7 | ||
| Pyridine Addition | Seen-Position | No | 23.5 | 29.3 | 36.4 |
| Yes | 18.1 | 22.4 | 33.6 |
| Task Level | # Calls | Input Tokens / Task | Output Tokens / Task | Cost / Task (USD) | TTFW / Call (s) |
|---|---|---|---|---|---|
| Level 1 | 15 | Low: 20k Typical: 38k | Low: 21k Typical: 36k | Low: 0.29 Typical: 0.50 | 15–20 25–40 |
| Level 2 | 20 | Low: 27k Typical: 50k | Low: 28k Typical: 48k | Low: 0.38 Typical: 0.66 | 15–20 25–40 |
| Level 3 | 30 | Low: 40k Typical: 75k | Low: 42k Typical: 72k | Low: 0.57 Typical: 0.99 | 15–20 25–40 |