# From Blind Guess to Informed Judgment: Teaching LLMs to Evaluate Materials by Building Knowledge-Augmented Preference Signals

arXiv: https://arxiv.org/abs/2605.29555 · HTML: https://mlsanity.com/paper/2605.29555/

## Key facts

- No citing papers in the map yet (data through 14 Oct 2026).
- Builds on 10 of its 36 references that are in the map.
- First posted on arXiv 28 May 2026.

## Builds on (most cited first, 10 of 10)

- [Retrieval-Augmented Generation for Knowledge-Intensive NLP Tasks](https://mlsanity.com/paper/2005.11401/) (2020)
- [Qwen3 Technical Report](https://mlsanity.com/paper/2505.09388/) (2025)
- [Direct Preference Optimization: Your Language Model is Secretly a Reward Model](https://mlsanity.com/paper/2305.18290/) (2023)
- [GPT-4o System Card](https://mlsanity.com/paper/2410.21276/) (2024)
- [Gemini 2.5: Pushing the Frontier with Advanced Reasoning, Multimodality, Long Context, and Next Generation Agentic Capabilities](https://mlsanity.com/paper/2507.06261/) (2025)
- [LlamaFactory: Unified Efficient Fine-Tuning of 100+ Language Models](https://mlsanity.com/paper/2403.13372/) (2024)
- [Hunyuan-Large: An Open-Source MoE Model with 52 Billion Activated Parameters by Tencent](https://mlsanity.com/paper/2411.02265/) (2024)
- [A Survey of LLM-based Deep Search Agents: Paradigm, Optimization, Evaluation, and Challenges](https://mlsanity.com/paper/2508.05668/) (2025)
- [Foundational Large Language Models for Materials Research](https://mlsanity.com/paper/2412.09560/) (2024)
- [Building Trustworthy AI for Materials Discovery: From Autonomous Laboratories to Z-scores](https://mlsanity.com/paper/2512.01080/) (2025)

## Abstract (arXiv)

As candidate generation and high-throughput experimentation advance, the primary bottleneck in materials discovery is shifting from property prediction to making reliable evaluations among massive candidate sets. We propose a Knowledge-Augmented Preference Signals Framework, MaterEval, that automatically produces, for the same candidate, two evaluations: an informed judgment that follows expert rules and provides supporting evidence, and a rule-removed blind guess. By pairing the two evaluations as preference data, we guide general-purpose large language models (LLMs), originally lacking materials-specific criteria, from intuitive judgment toward reliable evaluation supported by explicit evidence. To balance throughput, cost, and reliability, we further introduce a fast-slow reasoning scheme that decouples large-scale rapid screening from in-depth review on a small subset. Using high-entropy alloy (HEA) assessment as a case study, we show that, without external retrieval and relying solely on internalized capabilities, small open-source LLMs achieve substantial gains in accuracy, conclusion consistency, and evidence discrimination, approaching the performance of rule-based closed-source LLMs. These results demonstrate that expert rules can be systematically transformed into learnable preference signals, enabling a low-cost and deployable evaluation module for autonomous materials discovery loops.