Information fusion strategy integrating pre-trained language model and contrastive learning for materials knowledge mining

Machine learning has revolutionized materials design, yet predicting complex properties like alloy ductility remains challenging due to the influence of processing conditions and microstructural features that resist quantification through traditional reductionist approaches. Here, we present an innovative information fusion architecture that integrates domain-specific texts from materials science literature with quantitative physical descriptors to overcome these limitations. Our framework employs MatSciBERT for advanced textual comprehension and incorporates contrastive learning to automatically extract implicit knowledge regarding processing parameters and microstructural characteristics. Through rigorous ablation studies and comparative experiments, the model demonstrates superior performance, achieving coefficient of determination (R2) values of 0.849 and 0.680 on titanium alloy validation set and refractory multi-principal-element alloy test set. This systematic approach provides a holistic framework for property prediction in complex material systems where quantitative descriptors are incomplete and establishes a foundation for knowledge-guided materials design and informatics-driven materials discovery.

Enhanced Multi-Tuple Extraction for Alloys: Integrating Pointer Networks and Augmented Attention

Extracting high-quality structured information from scientific literature is crucial for advancing material design through data-driven methods. Despite the considerable research in natural language processing for dataset extraction, effective approaches for multi-tuple extraction in scientific literature remain scarce due to the complex interrelations of tuples and contextual ambiguities. In the study, we illustrate the multi-tuple extraction of mechanical properties from multi-principal-element alloys and presents a novel framework that combines an entity extraction model based on MatSciBERT with pointer networks and an allocation model utilizing inter- and intra-entity attention. Our rigorous experiments on tuple extraction demonstrate impressive F1 scores of 0.963, 0.947, 0.848, and 0.753 across datasets with 1, 2, 3, and 4 tuples, confirming the effectiveness of the model. Furthermore, an F1 score of 0.854 was achieved on a randomly curated dataset. These results highlight the model's capacity to deliver precise and structured information, offering a robust alternative to large language models and equipping researchers with essential data for fostering data-driven innovations.

MatPilot: an LLM-enabled AI Materials Scientist under the Framework of Human-Machine Collaboration

The rapid evolution of artificial intelligence, particularly large language models, presents unprecedented opportunities for materials science research. We proposed and developed an AI materials scientist named MatPilot, which has shown encouraging abilities in the discovery of new materials. The core strength of MatPilot is its natural language interactive human-machine collaboration, which augments the research capabilities of human scientist teams through a multi-agent system. MatPilot integrates unique cognitive abilities, extensive accumulated experience, and ongoing curiosity of human-beings with the AI agents' capabilities of advanced abstraction, complex knowledge storage and high-dimensional information processing. It could generate scientific hypotheses and experimental schemes, and employ predictive models and optimization algorithms to drive an automated experimental platform for experiments. It turns out that our system demonstrates capabilities for efficient validation, continuous learning, and iterative optimization.