Autonomous Science Bench: Evaluating AI Agents for Autonomous Scientific Discovery

Yibo Wen, Han Liu

AI agents for autonomous scientific discovery must decide which experiments to run under a limited budget. Most benchmarks for science agents provide fixed datasets, while others that support active experimentation largely rely on simulation. We introduce Autonomous Science Bench, an initial release comprising six budgeted design-build-test-learn campaigns grounded in published experiments across biology, chemistry, and materials science. Agents select batches of designs, receive measurements from a lab service, and use the results to guide subsequent experiments before delivering a predictive model. Success requires passing two calibrated gates: a discovery gate, which evaluates the designs the agent measured, and a learning gate, which evaluates its model's ranking of held-out designs. In a pilot evaluation of eight agent-model configurations and 144 trials, the best configuration succeeds in 67% of trials, while the hardest campaign is solved in only three of 24 attempts. The two gates reveal different weaknesses: some agents build accurate rankings but find too few promising designs, while others find promising designs but fail to predict which unseen designs will perform…