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README.md
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## 1. Overview
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## 2. Model Description
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RLM
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The model supports:
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- Experimental recipe generation
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- Process parameter optimization
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- Mechanism-aware reasoning
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It is coordinated by a language agent and iteratively improved through a seven-layer AI system.
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## 3. Key Features
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- Closed-loop optimization with experimental feedback
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- Data sources:
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- Scientific literature
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- Generated RecipeQA
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- Training strategy:
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- Supervised fine-tuning (SFT with LoRA)
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- Data format:
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The training process is organized within a seven-layer AI architecture:
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Learning → Generating → RecipeQA → Fine-tuning → Reasoning → Evaluation → Optimization
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## 5. Intended Use
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## 1. Overview
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Here, we present a domain-specific recipe language model (RLM) developed for an emerging scientific tool of robotic boxes, with perovskite solar cell research as a demonstration. For iterative fine-tuning of the RLM, seven artificial intelligence (AI) layers, including learning, generating, RecipeQA, fine-tuning, reasoning, evaluation, and optimisation, have been designed with a language agent. During the loops of seven AI layers, both numerical and semantic recipes are continuously learned and optimised for the RLM.
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## 2. Model Description
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To train this domain-specific RLM, the workflow starts from encoded formulas and parameters as recipe inputs, proceeds through seven AI layers with the language agent, and produces in situ characterisation and device performance assessment as mechanistic outputs. The language agent encodes these machine-readable recipes into structured formulas and parameters sequences, which are translated into tokens for subsequent fine-tuning of the RLM and execution by the robotic boxes. As a result, the fine-tuned RLM incorporates the encoded recipes, robotics, and characterised results to form a closed recommendation–synthesis–fabrication–characterisation–mechanism loop for exploring the large space of the recipes and their underlying mechanisms.
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## 3. Key Features
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Recipe recommendation: the ability to generate recommended recipes with recipe integrity, formula rationality, parameter rationality, and experimental validity.
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Mechanistic reasoning: the ability to provide mechanistic explanations with domain knowledge, mechanism integrity, interpretation, comprehensiveness, and coherence.
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- Data sources:
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- Scientific literature
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- Robotic experimental datasets
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- Generated RecipeQA
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- Training strategy:
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- Supervised fine-tuning (SFT with LoRA)
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- Direct preference optimisation (DPO)
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- Data format:
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- RecipeQA without mechanism
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- RecipeQA with mechanism (Chain-of-Thought)
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## 5. Intended Use
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RLM is designed to assist researchers, scientists, and industry professionals in recipe-driven domains that involve the vast combinatorial exploration of recipes and are often constrained by time-consuming trial-and-error synthesis and labour-intensive fabrication.
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Representative application scenarios include:
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- Biomedicine
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- Synthetic Biology
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- New-Energy Batteries
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- Semiconductor Materials
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