<ul><li>PiFlow is introduced as an information-theoretical framework for automated scientific discovery, focusing on uncertainty reduction guided by scientific principles.</li><li>Evaluation in discovering nanomaterial structures, bio-molecules, and superconductor candidates shows significant improvements in discovery efficiency and solution quality.</li><li>PiFlow enhances discovery efficiency by 73.55% in terms of property values and improves solution quality by 94.06% compared to a traditional agent system.</li><li>This method marks a paradigm shift in automated scientific discovery, offering a more efficient approach with the potential for robust AI-driven research.</li></ul>

PiFlow: Principle-aware Scientific Discovery with Multi-Agent Collaboration

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