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MatSci-NLP: Evaluating Scientific Language Models on Materials Science Language Tasks Using Text-to-Schema Modeling

arXiv 2305.08264 ↗First posted 14 May 2023cs.CL cond-mat.mtrl-sci cs.AIcited by 35

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Abstract (arXiv)

We present MatSci-NLP, a natural language benchmark for evaluating the performance of natural language processing (NLP) models on materials science text. We construct the benchmark from publicly available materials science text data to encompass seven different NLP tasks, including conventional NLP tasks like named entity recognition and relation classification, as well as NLP tasks specific to materials science, such as synthesis action retrieval which relates to creating synthesis procedures for materials. We study various BERT-based models pretrained on different scientific text corpora on MatSci-NLP to understand the impact of pretraining strategies on understanding materials science text. Given the scarcity of high-quality annotated data in the materials science domain, we perform our fine-tuning experiments with limited training data to encourage the generalize across MatSci-NLP tasks. Our experiments in this low-resource training setting show that language models pretrained on scientific text outperform BERT trained on general text. MatBERT, a model pretrained specifically on materials science journals, generally performs best for most tasks. Moreover, we propose a unified text-to-schema for multitask learning on benchmark and compare its performance with traditional fine-tuning methods. In our analysis of different training methods, we find that our proposed text-to-schema methods inspired by question-answering consistently outperform single and multitask NLP fine-tuning methods. The code and datasets are publicly available at urlhttps://github.com/BangLab-UdeM-Mila/NLP4MatSci-ACL23.

Key facts. Cited by 35 papers in the map (data through 7 Oct 2026). Builds on 25 of its 57 references that are in the map. First posted on arXiv 14 May 2023.

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25 of 57 references.

References · 25

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13 more
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Citing papers per year: 2023: 5; 2024: 12; 2025: 10; 2026: 8.

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  1. 2024A Review of Large Language Models and Autonomous Agents in Chemistrycited by 96
  2. 2025Agentic AI for Scientific Discovery: A Survey of Progress, Challenges, and Future Directionscited by 74
  3. 2024HoneyComb: A Flexible LLM-Based Agent System for Materials Sciencecited by 56
  4. 2024Are LLMs Ready for Real-World Materials Discovery?cited by 40
  5. 2024Are large language models superhuman chemists?cited by 34
  6. 2025A Survey of Scientific Large Language Models: From Data Foundations to Agent Frontierscited by 34
  7. 2024LLaMP: Large Language Model Made Powerful for High-fidelity Materials Knowledge Retrieval and Distillationcited by 32
  8. 2023LLM-Prop: Predicting Physical And Electronic Properties Of Crystalline Solids From Their Text Descriptionscited by 29
  9. 2023HoneyBee: Progressive Instruction Finetuning of Large Language Models for Materials Sciencecited by 22
  10. 2024MatExpert: Decomposing Materials Discovery by Mimicking Human Expertscited by 18
  11. 2024Foundational Large Language Models for Materials Researchcited by 18
  12. 2023MatSciML: A Broad, Multi-Task Benchmark for Solid-State Materials Modelingcited by 14
23 more
  1. 2023Reconstructing Materials Tetrahedron: Challenges in Materials Information Extractioncited by 8
  2. 2025A Survey of AI for Materials Science: Foundation Models, LLM Agents, Datasets, and Toolscited by 7
  3. 2024MELT: Materials-aware Continued Pre-training for Language Model Adaptation to Materials Sciencecited by 5
  4. 2026TritonDFT: Automating DFT with a Multi-Agent Frameworkcited by 5
  5. 2024FoodPuzzle: Developing Large Language Model Agents as Flavor Scientistscited by 3
  6. 2025MSQA: Benchmarking LLMs on Graduate-Level Materials Science Reasoning and Knowledgecited by 3
  7. 2025Perovskite-LLM: Knowledge-Enhanced Large Language Models for Perovskite Solar Cell Researchcited by 2
  8. 2025Towards Fully-Automated Materials Discovery via Large-Scale Synthesis Dataset and Expert-Level LLM-as-a-Judgecited by 2
  9. 2025Incorporating Domain Knowledge into Materials Tokenizationcited by 2
  10. 2026CrystalXRD-Bench: Benchmarking Vision-Language Models for XRD Peak Indexing Across Diverse Crystalline Materialscited by 2
  11. 2023On the importance of catalyst-adsorbate 3D interactions for relaxed energy predictionscited by 1
  12. 2024Quokka: An Open-source Large Language Model ChatBot for Material Sciencecited by 1
  13. 2024Extracting Polymer Nanocomposite Samples from Full-Length Documentscited by 1
  14. 2025Efficient Scientific Full Text Classification: The Case of EICAT Impact Assessmentscited by 1
  15. 2025ScholarBench: A Bilingual Benchmark for Abstraction, Comprehension, and Reasoning Evaluation in Academic Contextscited by 1
  16. 2024STAYKATE: Hybrid In-Context Example Selection Combining Representativeness Sampling and Retrieval-based Approach -- A Case Study on Science Domainscited by 0
  17. 2025Mechanisms of Matter: Language Inferential Benchmark on Physicochemical Hypothesis in Materials Synthesiscited by 0
  18. 2026Sustainable Materials Discovery in the Era of Artificial Intelligencecited by 0
  19. 2026SciCustom: A Framework for Custom Evaluation of Scientific Capabilities in Large Language Modelscited by 0
  20. 2026Mat-Pref: Verifiable-Reward Training Improves Compositional Reasoning in Inorganic Materialscited by 0
  21. 2026HALO: A Physics-Aware LLM Agent Framework for Nanophotonic Designcited by 0
  22. 2026Text-guided flow matching enables sample-efficient crystal structure generationcited by 0
  23. 2026Domain-Specific Jargon in Large Language Models: A Comparative Analysis between General-Purpose and Specialist Modelscited by 0