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From large language models to AI agents in energy materials research: enabling discovery, design, and automation

Figure 9. The two evolutionary paths of AI in materials science: architectural innovation through multi-agent collaboration and representational innovation via text-based material representations. AI: Artificial intelligence; MOF: metal-organic framework; SMILES: Simplified Molecular Input Line Entry System; LLM: large language model; GNN: graph neural networks; SG: summarized graph; DIVE: descriptive interpretation of visual expression.