We propose an instruction-based process for trustworthy data curation in materials science (MatSci-Instruct), which we then apply to finetune a LLaMa-based language model targeted for materials science (HoneyBee). MatSci-Instruct helps alleviate the scarcity of relevant, high-quality materials science textual data available in the open literature, and HoneyBee is the first billion-parameter language model specialized to materials science. In MatSci-Instruct we improve the trustworthiness of generated data by prompting multiple commercially available large language models for generation with an Instructor module (e.g. Chat-GPT) and verification from an independent Verifier module (e.g. Claude). Using MatSci-Instruct, we construct a dataset of multiple tasks and measure the quality of our dataset along multiple dimensions, including accuracy against known facts, relevance to materials science, as well as completeness and reasonableness of the data. Moreover, we iteratively generate more targeted instructions and instruction-data in a finetuning-evaluation-feedback loop leading to progressively better performance for our finetuned HoneyBee models. Our evaluation on the MatSci-NLP benchmark shows HoneyBee’s outperformance of existing language models on materials science tasks and iterative improvement in successive stages of instruction-data refinement. We study the quality of HoneyBee’s language modeling through automatic evaluation and analyze case studies to further understand the model’s capabilities and limitations. Our code and relevant datasets are publicly available at https://github.com/BangLab-UdeM-Mila/NLP4MatSci-HoneyBee.

Augmenting pretrained language models with retrievers has shown promise in effectively solving common NLP problems, such as language modeling and question answering. In this paper, we evaluate the strengths and weaknesses of popular retriever-augmented language models, namely kNN-LM, REALM, DPR + FiD, Contriever + ATLAS, and Contriever + Flan-T5, in reasoning over retrieved statements across different tasks. Our findings indicate that the simple similarity metric employed by retrievers is insufficient for retrieving all the necessary statements for reasoning. Additionally, the language models do not exhibit strong reasoning even when provided with only the required statements. Furthermore, when combined with imperfect retrievers, the performance of the language models becomes even worse, e.g., Flan-T5’s performance drops by 28.6% when retrieving 5 statements using Contriever. While larger language models improve performance, there is still a substantial room for enhancement. Our further analysis indicates that multihop retrieve-and-read is promising for large language models like GPT-3.5, but does not generalize to other language models like Flan-T5-xxl. The code is available at https://github.com/McGill-NLP/retriever-lm-reasoning.

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 {pasted macro ‘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 https://github.com/BangLab-UdeM-Mila/NLP4MatSci-ACL23.