Representation Alignment as a Bottleneck in LLM-Based Retrosynthesis Planning

arXiv:2609.35571 · cs.AI, cs.CL · Submitted 2026-09-28 · Read on arXiv

cs.AI, cs.CL

Submitted: 2026-09-28

Updated: 2026-09-28

Terminology

• Grounding — 26× in this paper · explained in 3 episodes
• Alignment — 24× in this paper · explained in 1 episode
• Accuracy — 23× in this paper · explained in 1 episode
• Benchmark — 8× in this paper · explained in 2 episodes
• Consistency — 8× in this paper · explained in 3 episodes
• Abstraction — 7× in this paper · explained in 1 episode
• Failure Modes — 7× in this paper · explained in 3 episodes
• Core — 2× in this paper · explained in 2 episodes
• Large Language Models (LLMs) — 2× in this paper · explained in 6 episodes
• Planning Domain Definition Language — 2× in this paper
• Robustness — 2× in this paper · explained in 5 episodes
• Structural Constraints — 2× in this paper · explained in 2 episodes
• Adaptive Planning — 1× in this paper · explained in 1 episode
• Affordance — 1× in this paper · explained in 1 episode
• Alignment Problem — 1× in this paper · explained in 1 episode
• Chain-of-Thought Prompting — 1× in this paper · explained in 2 episodes
• Foundation Model — 1× in this paper · explained in 3 episodes
• Foundation Models — 1× in this paper · explained in 7 episodes
• Semantic Alignment — 1× in this paper · explained in 3 episodes
• Semantic Gap — 1× in this paper · explained in 2 episodes
• Simplified Molecular Input Line Entry System — 1× in this paper
• Transformer — 1× in this paper · explained in 2 episodes
• Verification — 1× in this paper · explained in 2 episodes
• alpha — 1× in this paper · explained in 1 episode

Sources

• Sparks of Artificial General Intelligence: Early experiments with GPT-4
• Evaluating Large Language Models Trained on Code
• DeepSeek-V3.2: Pushing the Frontier of Open Large Language Models
• Gemini: A Family of Highly Capable Multimodal Models
• LLM+P: Empowering Large Language Models with Optimal Planning Proficiency
• GPT-4 Technical Report
• Qwen2.5 Technical Report
• Qwen3 Technical Report
• ChemLLM: A Chemical Large Language Model

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