Self-Building Labs

Self-driving laboratories (SDLs) combine automated experimentation with adaptive decision-making to accelerate scientific discovery. Their operation nevertheless often depends on human specialists who translate scientific objectives into executable closed-loop campaigns. Specialists adjust them as data and operating conditions change. Here, we present La Agente Óptima, an agentic framework that constructs and supervises Bayesian optimization campaigns across computational and experimental systems while maintaining a persistent optimization state. By separating large language model (LLM) reasoning from executed campaigns, Óptima runs repetitive optimization loops consistently, returns control to the agent only when progress requires interpretation or campaign revision, and keeps every decision auditable. We evaluate Óptima across ablation studies, five digital discovery tasks, and two physical platforms. Throughout, Óptima maintained executable campaigns as both the scientific problem and execution environment evolved. In a closed-loop contact angle optimization campaign, Óptima identified and corrected a mid-run measurement failure, bringing the contact angle from 71.4 to 67.8 degrees, just above the 64-66 degree range. From this result, Óptima correctly inferred that the target was likely unattainable with the available reagents and recommended changing the formulation. In a five-day multi-objective flow-chemistry campaign, Óptima increased the yield from 30% to 59% over 23 experiments. Despite substantial inference costs, it cost less and used substantially less starting material than a human-directed campaign, while selecting a more mass-efficient operating point. These results show that LLM-based agents can make rigorous, long-running optimization campaigns accessible to domain scientists without specialist setup, expanding the scope of SDLs.

Agentic AI-for-Science can automate ideation, planning, and analysis, but final validation still depends on real experiments. A self-driving lab (SDL) can execute those experiments, yet the loop still has bottlenecks: the agent may spend too many rounds on low-value experiments, or each round may require a high-cost experiment. We target these two physical bottlenecks with one agent. First, a prior-aware agentic DOE loop uses domain knowledge and past results to propose feasible and informative next experiments, reducing trials-to-target. Second, a cost-aware surrogate agent predicts high-cost, high-resolution measurements from low-cost, low-resolution measurements. It chooses between a high- and a low-cost measurement based on the predicted uncertainty. We examine these directions in the biology and materials domains, respectively. Together, under a single agent, these components aim to accelerate the SDL loop by reducing both the number of loops and the cost per experiment.

Self-driving laboratories (SDLs) are laboratory systems that couple experimental planning, automated execution, and measurement feedback in a closed loop. Integrating flexible robot control with the typed application programming interfaces (APIs) and continuous measurements exposed by laboratory instruments remains an execution-interface challenge. To address this challenge, we propose a traceable framework comprising four components: LAM (Lab Action Model), OpenSDL, Safe-SDL, and L3-Bench. LAM is a proposed measurement-conditioned policy architecture that extends vision-language-action paradigms to generate both continuous robot trajectories and typed instrument API calls. OpenSDL is an execution substrate with an initial control implementation, designed to map role-level operations to heterogeneous devices, coordinate execution, and record timestamped causal events. The proposed Safe-SDL runtime gate combines pre-dispatch schema and resource checks with signal temporal logic monitoring during execution, including extended waiting periods. L3-Bench (Level-3 Laboratory Benchmark) specifies an episode-level evaluation protocol covering physical outcomes, timing, reproducibility, safety violations, and fault recovery. Together, these components provide an end-to-end design for linking hybrid action generation, monitored device execution, measurement feedback, and experimental evaluation, addressing coordination and traceability challenges in SDL workflows.