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Computational synthesis planning approaches have achieved recent success in organic chemistry, where tabulated synthesis procedures are readily available for supervised learning. The syntheses of inorganic materials, however, exist…

Computation and Language · Computer Science 2017-11-29 Sheshera Mysore , Edward Kim , Emma Strubell , Ao Liu , Haw-Shiuan Chang , Srikrishna Kompella , Kevin Huang , Andrew McCallum , Elsa Olivetti

Scientific action graphs extraction from materials synthesis procedures is important for reproducible research, machine automation, and material prediction. But the lack of annotated data has hindered progress in this field. We demonstrate…

Computation and Language · Computer Science 2022-10-25 Xianjun Yang , Ya Zhuo , Julia Zuo , Xinlu Zhang , Stephen Wilson , Linda Petzold

The synthesis process is essential for achieving computational experiment design in the field of inorganic materials chemistry. In this work, we present a novel corpus of the synthesis process for all-solid-state batteries and an automated…

Computation and Language · Computer Science 2020-02-19 Fusataka Kuniyoshi , Kohei Makino , Jun Ozawa , Makoto Miwa

Synthesis procedures play a critical role in materials research, as they directly affect material properties. With data-driven approaches increasingly accelerating materials discovery, there is growing interest in extracting synthesis…

Machine Learning · Computer Science 2025-10-22 Hirofumi Tsuruta , Masaya Kumagai

The development of synthesis procedures remains a fundamental challenge in materials discovery, with procedural knowledge scattered across decades of scientific literature in unstructured formats that are challenging for systematic…

Keeping track of all relevant recent publications and experimental results for a research area is a challenging task. Prior work has demonstrated the efficacy of information extraction models in various scientific areas. Recently, several…

Computation and Language · Computer Science 2023-10-25 Timo Pierre Schrader , Matteo Finco , Stefan Grünewald , Felix Hildebrand , Annemarie Friedrich

In the field of inorganic materials science, there is a growing demand to extract knowledge such as physical properties and synthesis processes of materials by machine-reading a large number of papers. This is because materials researchers…

Computation and Language · Computer Science 2021-06-29 Fusataka Kuniyoshi , Jun Ozawa , Makoto Miwa

Intelligently extracting and linking complex scientific information from unstructured text is a challenging endeavor particularly for those inexperienced with natural language processing. Here, we present a simple sequence-to-sequence…

Computation and Language · Computer Science 2022-12-13 Alexander Dunn , John Dagdelen , Nicholas Walker , Sanghoon Lee , Andrew S. Rosen , Gerbrand Ceder , Kristin Persson , Anubhav Jain

We describe an effort to annotate a corpus of natural language instructions consisting of 622 wet lab protocols to facilitate automatic or semi-automatic conversion of protocols into a machine-readable format and benefit biological…

Computation and Language · Computer Science 2018-05-02 Chaitanya Kulkarni , Wei Xu , Alan Ritter , Raghu Machiraju

The project, under industrial funding, presented in this publication aims at the semantic analysis of a normative document describing requirements applicable to electrical appliances. The objective of the project is to build a semantic…

Information Retrieval · Computer Science 2021-12-28 Helene de Ribaupierre , Anne-Francoise Cutting-Decelle , Nathalie Baumier , Serge Blumental

This paper describes a machine learning and data science pipeline for structured information extraction from documents, implemented as a suite of open-source tools and extensions to existing tools. It centers around a methodology for…

Materials synthesis procedures are predominantly documented as narrative text in protocols and lab notebooks, rendering them inaccessible to conventional structured data optimization. This language-native nature poses a critical challenge…

Databases · Computer Science 2026-01-22 Yuze Liu , Zhaoyuan Zhang , Xiangsheng Zeng , Yihe Zhang , Leping Yu , Liu Yang , Lejia Wang , Xi Yu

Leveraging new data sources is a key step in accelerating the pace of materials design and discovery. To complement the strides in synthesis planning driven by historical, experimental, and computed data, we present an automated method for…

Systematic reviews, which entail the extraction of data from large numbers of scientific documents, are an ideal avenue for the application of machine learning. They are vital to many fields of science and philanthropy, but are very…

Computation and Language · Computer Science 2020-10-12 Seraphina Goldfarb-Tarrant , Alexander Robertson , Jasmina Lazic , Theodora Tsouloufi , Louise Donnison , Karen Smyth

Summarisation of research results in plain language is crucial for promoting public understanding of research findings. The use of Natural Language Processing to generate lay summaries has the potential to relieve researchers' workload and…

Computation and Language · Computer Science 2023-03-28 Oliver Vinzelberg , Mark David Jenkins , Gordon Morison , David McMinn , Zoe Tieges

As a research community grows, more and more papers are published each year. As a result there is increasing demand for improved methods for finding relevant papers, automatically understanding the key ideas and recommending potential…

Information Retrieval · Computer Science 2019-01-03 Yi Luan

The development of a materials synthesis route is usually based on heuristics and experience. A possible new approach would be to apply data-driven approaches to learn the patterns of synthesis from past experience and use them to predict…

With the advent of large language models (LLMs), the vast unstructured text within millions of academic papers is increasingly accessible for materials discovery, although significant challenges remain. While LLMs offer promising few- and…

Computation and Language · Computer Science 2025-09-30 Amit K Verma , Zhisong Zhang , Junwon Seo , Robin Kuo , Runbo Jiang , Emma Strubell , Anthony D Rollett

This paper presents a new challenging information extraction task in the domain of materials science. We develop an annotation scheme for marking information on experiments related to solid oxide fuel cells in scientific publications, such…

Computation and Language · Computer Science 2020-06-05 Annemarie Friedrich , Heike Adel , Federico Tomazic , Johannes Hingerl , Renou Benteau , Anika Maruscyk , Lukas Lange

In a citation graph, adjacent paper nodes share related scientific terms and topics. The graph thus conveys unique structure information of document-level relatedness that can be utilized in the paper summarization task, for exploring…

Computation and Language · Computer Science 2022-12-09 Xiuying Chen , Mingzhe Li , Shen Gao , Rui Yan , Xin Gao , Xiangliang Zhang
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