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RESEARCH PAPER · npj Computational Materials · 2019

Semi-supervised machine-learning classification of materials synthesis procedures

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Semi-supervised machine-learning classification of materials synthesis proceduresOriginalText-mined dataset of inorganic materials synthesis recipes259Battery 2030+ Roadmap46Inorganic Materials Synthesis Planning with Literature-Trained Neural Networks142Explainable Machine Learning Algorithms For Predicting Glass Transition Temperatures113Artificial Intelligence to Power the Future of Materials Science and Engineering154Designing bioinspired brick-and-mortar composites using machine learning and statistical learning43Big-Data Science in Porous Materials: Materials Genomics and Machine Learning599Automated extraction of chemical synthesis actions from experimental procedures202Machine learning approaches for the prediction of materials properties255Better, Faster, and Less Biased Machine Learning: Electromechanical Switching in Ferroelectric Thin Films18Similarity of Precursors in Solid-State Synthesis as Text-Mined from Scientific Literature85Machine learning approach for elucidating and predicting the role of synthesis parameters on the shape and size of TiO2 nanoparticles58Data-driven materials research enabled by natural language processing and information extraction302Can we predict materials that can be synthesised?73Analyzing Research Trends in Inorganic Materials Literature Using NLP8Single and Combined Neuroimaging Techniques for Alzheimer’s Disease Detection26The Impact of Domain-Specific Pre-Training on Named Entity Recognition Tasks in Materials Science33Topic modeling and its applications in materials science and engineering24Toward autonomous design and synthesis of novel inorganic materials159Accurate machine learning in materials science facilitated by using diverse data sources53Artificial intelligence and machine learning in glass science and technology: 21 challenges for the 21 st century55Opportunities and challenges of text mining in materials research180MatScIE: An automated tool for the generation of databases of methods and parameters used in the computational materials science literature14CLASSIFICATION BASED ON SEMI-SUPERVISED LEARNING: A REVIEW15Classification of Arabic Tweets: A Review35Machine learning and symbolic regression investigation on stability of MXene materials83Amortized Synthesis of Constrained Configurations Using a Differentiable Surrogate1Catalyze Materials Science with Machine Learning67Computational Discovery of Transition-metal Complexes: From High-throughput Screening to Machine Learning354An automated domain-independent text reading, interpreting and extracting approach for reviewing the scientific literature0Machine Learning Classifiers for Surface Crack Detection in Fracture Experiments63Advanced machine learning decision policies for diameter control of carbon nanotubes35Material Evolution with Nanotechnology, Nanoarchitectonics, and Materials Informatics: What will be the Next Paradigm Shift in Nanoporous Materials?163Predicting synthesizability of crystalline materials via deep learning43Dataset of Solution-based Inorganic Materials Synthesis Recipes Extracted from the Scientific Literature2Inverse Design of Nanoparticles Using Multi‐Target Machine Learning41Algorithmic Screening Frontiers: How Model Priors Reshape Searchable Materials Space0Extracting and Analyzing Inorganic Material Synthesis Procedures in the Literature10New challenges in oxygen reduction catalysis: a consortium retrospective to inform future research53Prediction without Transferability: Domain Shift in Cross-Material AI Inference0ULSA: unified language of synthesis actions for the representation of inorganic synthesis protocols28Machine Learning and Natural Language Processing Enable a Data-Oriented Experimental Design Approach for Producing Biochar and Hydrochar from Biomass67A Roadmap for Transforming Research to Invent the Batteries of the Future Designed within the European Large Scale Research Initiative BATTERY 2030+235Automatic metadata information extraction from scientific literature using deep neural networks5Distributed representations of atoms and materials for machine learning41Machine Learning for the Discovery, Design, and Engineering of Materials66Machine learning assisted synthesis of lithium-ion batteries cathode materials102Text Mining for Energy Materials3Quantifying the advantage of domain-specific pre-training on named entity recognition tasks in materials science163Challenges in Information-Mining the Materials Literature: A Case Study and Perspective21Dataset of solution-based inorganic materials synthesis procedures extracted from the scientific literature83Text-mined dataset of gold nanoparticle synthesis procedures, morphologies, and size entities56Machine learning in concrete science: applications, challenges, and best practices379Machine Learning for Electrocatalyst and Photocatalyst Design and Discovery552Emerging machine learning strategies for diminishing measurement uncertainty in SPM nanometrology5Image-based machine learning for 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database of molecular properties integrated in the Materials Project35Algorithmic Novelty vs Chemical Novelty: Rethinking Innovation Metrics0Deep learning of electrochemical CO 2 conversion literature reveals research trends and directions18Machine Learning Application in Battery Prediction: A Systematic Literature Review and Bibliometric Study8Machine learning in energy chemistry: introduction, challenges and perspectives31Materials synthesizability and stability prediction using a semi-supervised teacher-student dual neural network22Optimization without Causality: Limits of Correlation-Driven Materials Design0Interpretable Machine Learning Enabled Inorganic Reaction Classification and Synthesis Condition Prediction41Probe microscopy is all you need *20Showing Flow: Comparing Usability of Chord and Sankey Diagrams14Domain knowledge discovery from abstracts of scientific literature on Nickel-based single crystal superalloys29Designing materials acceleration platforms for heterogeneous CO2 photo(thermal)catalysis28Reinforced active learning for CVD-grown two-dimensional materials characterization3Machine-Learning-Enabled Framework in Engineering Plastics Discovery: A Case Study of Designing Polyimides with Desired Glass-Transition Temperature39Yield prediction and optimization of biomass-based products by multi-machine learning schemes: Neural, regression and function-based techniques56Accurate, interpretable predictions of materials properties within transformer language models39Data driven design of compositionally complex energy materials13Machine learning in physics: A short guide12Alloy synthesis and processing by semi-supervised text mining28MatGPT: A Vane of Materials Informatics from Past, Present, to Future74Machine learning-based evaluation of functional characteristics of Li-rich layered oxide cathode materials using the data of XPS and XRD spectra16Combining text mining, in situ characterization, and ab initio calculations to rationalize BiFeO3 crystallization pathways8Opinion Mining by Convolutional Neural Networks for Maximizing Discoverability of Nanomaterials8Machine learning–assisted colloidal synthesis: A review39Quantitative Topic Analysis of Materials Science Literature Using Natural Language Processing24Text Mining the Literature to Inform Experiments and Rationalize Impurity Phase Formation for BiFeO312Automated extraction of synthesis parameters of pulsed laser-deposited materials from scientific literature8Computational chemistry for water-splitting electrocatalysis239Harnessing GPT-3.5 for text parsing in solid-state synthesis – case study of ternary chalcogenides26Insights into the Development of Electrocatalysts Based on Information Extracted from Literatures Using Natural Language Processing1Leveraging machine learning in porous media89Natural Language Processing7Unsupervised learning and pattern recognition in alloy design15XRDMatch: a semi-supervised learning framework to efficiently discover room temperature lithium superionic conductors12Advances in materials informatics: a review42Accelerating materials language processing with large language models78Prediction of heavy-section ductile iron fracture toughness based on machine learning10Large language model enhanced corpus of CO2 reduction electrocatalysts and synthesis procedures22Exploring solvation structure and transport behavior for rational design of advanced electrolytes for next generation of lithium batteries15Overcoming Language Barrier for Scientific Studies via Unsupervised Literature Learning: Case Study on Solar Cell Materials Prediction5Usage of clustering algorithms for automating route planning in transportation routing tasks0Synthesizability of materials stoichiometry using semi-supervised learning21A critical reflection on attempts to machine-learn materials synthesis insights from text-mined literature recipes16Reverse characterization prediction of diamond Schottky barrier power devices using machine learning: Predicting breakdown voltage and Baliga figure of merit5Machine-Learning-Assisted Materials Discovery from Electronic Band Structure7Concluding remarks: Faraday Discussion on data-driven discovery in the chemical sciences1Construction and application of materials database under data-driven research paradigm3Impact of data bias on machine learning for crystal compound synthesizability predictions16The role of artificial intelligence in materials science: a review0Machine learning materials properties with accurate predictions, uncertainty estimates, domain guidance, and persistent online accessibility17Theoretical investigation of structure stabilities, electronic and thermodynamic properties of 2D Mo-based MXene Mon+1Xn (X = C, N and n = 1, 2, 3)20Modeling Techniques1Solid-state synthesizability predictions using positive-unlabeled learning from human-curated literature data8SynCoTrain: a dual classifier PU-learning framework for synthesizability prediction9Exploring the development of electrocatalysts through an automated comprehensive literature review using NLP0Machine Learning-Based Computational Design Methods for High-Entropy Alloys49English Verb Morphological Adaptive Clustering Based on Semantic Feature Mining0Applications of natural language processing and large language models in materials discovery132Artificial intelligence technology in materials selection, device engineering and parameter optimisation for triboelectric nanogenerator4NiFe2O4 and CuFe2O4 nanofibers for the ppm-level ethanol and acetone classification: A comparison4Machine learning-driven alloy digital design for hydrogen storage: a review12Exploration of Lithium-Ion Conductors Based on Local Coordination Environments Using Crystallographic Site Fingerprints7State‐of‐the‐Art Machine Learning Technology for Sustainable Lithium Battery Cathode Design: A Perspective13Accelerated data-driven materials science with the Materials Project300Artificial intelligence in materials science and engineering: Current landscape, key challenges, and future trajectories33Developing machine learning for heterogeneous catalysis with experimental and computational data93Artificial Intelligence for Materials Discovery, Development, and Optimization171Annotated textual dataset PV600 of perovskite bandgaps for information extraction from literature6Pressure-dependent structural stability and enhanced electronic properties of Cubic Ti 2 C MXene for unlocking energy and photonic applications0A survey of AI-supported materials informatics7Recent advances in machine learning-driven discovery of alloy electrocatalysts for hydrogen evolution reaction5Language Models Enable Data-Augmented Synthesis Planning for Inorganic Materials8Inline quality grading of commercial lithium-ion battery manufacturing via data-efficient learning and transferable assessment0MetMINE: a generative large language model-based source-tracked multi-pass framework for metallic materials information extraction0Artificial intelligence for energy materials research: From classical machine learning to large models4Prompt Engineering Accelerates the Data‐Driven Discovery of Photocatalysts via an LLM‐Based Model Ensemble Strategy3Text Mining of CVD Synthesis Recipes for 2D Materials3Roadmap for High‐Throughput Ceramic Materials Synthesis and Discovery for Batteries1Quantitative analysis of operating conditions and performance trends in CO2 capture from large-scale literature0Machine Learning‐Based Inverse Design for Functional Materials: Methods, Challenges, and Engineering Applications19Harnessing Artificial Intelligence (AI) for a greener future: a review of AI advancements in green chemistry, chemical processes and sustainable materials3A relaxation-free training framework for task-oriented modular potentials in multi-principal element alloys0Entropy-based materialistic and mechanistic insights for zinc ion battery applications0Toward autonomous chemical discovery: agentic AI in organic synthesis and nanochemistry0

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