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Hypothesis Generation for Materials Discovery and Design Using Goal-Driven and Constraint-Guided LLM Agents

Shrinidhi Kumbhar, Venkatesh Mishra, Kevin Coutinho, Divij Handa, Ashif Iquebal, Chitta Baral

Findings of NAACL 2025 2025 Test-Time

Abstract

Goal-driven, constraint-guided LLM agents that generate scientific hypotheses for materials discovery and design.

Agents