ScienceAgentBench: Toward Rigorous Assessment of Language Agents for Data-Driven Scientific Discovery

ICLR 2025 Conference Submission12844 Authors

Keywords: Benchmark, Evaluation, Large Language Model, Language Agent, AI for Science, Code Generation, Task Automation

TL;DR: We present ScienceAgentBench, a new benchmark for rigorously measuring progress towards developing language agents to assist human scientists in data-driven scientific discovery.

Abstract: The advancements of language language models (LLMs) have piqued growing interest in developing LLM-based language agents to automate scientific discovery end-to-end, which has sparked both excitement and skepticism about the true capabilities of such agents. In this work, we argue that for an agent to fully automate scientific discovery, it must be able to complete all essential tasks in the workflow. Thus, we call for rigorous assessment of agents on individual tasks in a scientific workflow before making bold claims on end-to-end automation. To this end, we present ScienceAgentBench, a new benchmark for evaluating language agents for data-driven scientific discovery. To ensure the scientific authenticity and real-world relevance of our benchmark, we extract 102 tasks from 44 peer-reviewed publications in four disciplines and engage nine subject matter experts to validate them. We unify the target output for every task to a self-contained Python program file and employ an array of evaluation metrics to examine the generated programs, execution results, and costs. Each task goes through multiple rounds of manual validation by annotators and subject matter experts to ensure its annotation quality and scientific plausibility. We also propose two effective strategies to mitigate data contamination concerns. Using our benchmark, we evaluate five open-weight and proprietary LLMs, each with three frameworks: direct prompting, OpenHands, and self-debug. Given three attempts for each task, the best-performing agent can only solve 32.4% of the tasks independently and 34.3% with expert-provided knowledge. These results underscore the limited capacities of current language agents in generating code for data-driven discovery, let alone end-to-end automation for scientific research. In the long run, ScienceAgentBench will serve as a benchmark for rigorously measuring progress toward developing language agents to assist human scientists in data-driven scientific discovery.

Primary Area: datasets and benchmarks

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Submission Number: 12844