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RESEARCH PAPER · npj Computational Materials · 2021

A general and transferable deep learning framework for predicting phase formation in materials

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A general and transferable deep learning framework for predicting phase formation in materialsOriginalBoosting for concept design of casting aluminum alloys driven by combining computational thermodynamics and machine learning techniques32Application of deep transfer learning to predicting crystal structures of inorganic substances33Machine learning prediction of magnetic properties of Fe-based metallic glasses considering glass forming ability75A highly interpretable materials informatics approach for predicting microstructure-property relationship in fabric composites29Cross-property deep transfer learning framework for enhanced predictive analytics on small materials data198Prediction of Ti-Zr-Nb-Ta high-entropy alloys with desirable hardness by combining machine learning and experimental data48Internal Crack Prediction of Continuous Casting Billet Based on Principal Component Analysis and Deep Neural Network27Efficient alloy design of Sr-modified A356 alloys driven by computational thermodynamics and machine learning73A critical review of the machine learning guided design of metallic glasses for superior glass-forming ability13Algorithmic Screening Frontiers: How Model Priors Reshape Searchable Materials Space0Prediction without Transferability: Domain Shift in Cross-Material AI Inference0Deep-Learning-Assisted Focused Ion Beam Nanofabrication41Accurate energy prediction of large-scale defective two-dimensional materials via deep learning6On the use of transfer modeling to design new steels with excellent rotating bending fatigue resistance even in the case of very small calibration datasets78Numerical simulation of dendritic growth during solidification process using multiphase-field model aided with machine learning method11A comparison of explainable artificial intelligence methods in the phase classification of multi-principal element alloys33Next-generation energy systems for sustainable smart cities: Roles of transfer learning118State-of-the-Art Review of Machine Learning Applications in Additive Manufacturing; from Design to Manufacturing and Property Control44Deep and transfer learning for building occupancy detection: A review and comparative analysis123Machine Learning-Assisted Identification of Copolymer Microstructures Based on Microscopic Images22Predicting single-phase solid solutions in as-sputtered high entropy alloys: High-throughput screening with machine-learning model54A Knowledge Transfer Framework for General Alloy Materials Properties Prediction9Predict the phase formation of high-entropy alloys by compositions101A Conceptual Distinction between Generalization and Transfer in Materials Machine Learning0Algorithmic Novelty vs Chemical Novelty: Rethinking Innovation Metrics0An Interactive and Iterative Framework for Refractory Alloys Based on Machine Learning, Calphad and Experiments0Cross-Property Entanglement in Multi-Task Materials Learning Systems0Developing efficient deep learning model for predicting copolymer properties6Domain knowledge aided machine learning method for properties prediction of soft magnetic metallic glasses32Influence of Al and Ti Alloying and Annealing on the Microstructure and Compressive Properties of Cr-Fe-Ni Medium-Entropy Alloy0Influence of Al and Ti Alloying and Annealing on the Microstructure and Compressive Properties of Cr-Fe-Ni Medium-Entropy Alloy0Tackling data scarcity with transfer learning: a case study of thickness characterization from optical spectra of perovskite thin films14The Interpretability–Complexity Paradox in Deep Materials Networks0Transfer Learning in Inorganic Compounds’ Crystal Structure Classification1Latest Advances in Manufacturing and Machine Learning of Bulk Metallic Glasses14A two-step data augmentation method based on generative adversarial network for hardness prediction of high entropy alloy51Prediction of phase selection of amorphous alloys and high entropy alloys by artificial neural network19Advances in machine learning- and artificial intelligence-assisted material design of steels109Representations of Materials for Machine Learning133Pre-Activation based Representation Learning to Enhance Predictive Analytics on Small Materials Data7Materials genome strategy for metallic glasses19An end-to-end machine learning framework exploring phase formation for high entropy alloys15Exploiting the use of deep learning techniques to identify phase separation in self-assembled microstructures with localized graphene domains in epoxy blends5Hardness prediction of high entropy alloys with periodic table representation of composition, processing, structure and physical parameters15On the application of high‐throughput experimentation and data‐driven approaches in metallic glasses19Investigating representation schemes for surrogate modeling of High Entropy Alloys8Relating the combinatorial materials chip mapping to the glass-forming ability of bulk metallic glasses via diffraction peak width9Advances of machine learning in materials science: Ideas and techniques105Design and Validation of Refractory Alloys Using Machine Learning, Calphad, and Experiments21Development and application of Few-shot learning methods in materials science under data scarcity47Transfer Learning Across Materials Classes: Conceptual Boundaries of Reusability0Structure-aware graph neural network based deep transfer learning framework for enhanced predictive analytics on diverse materials datasets90Deep learning-based prediction of saturation magnetic flux density in Fe-based metallic glasses via transfer learning5Deep learning based on small sample dataset: prediction of dielectric properties of SrTiO 3 -type perovskite with doping modification8Machine learning-enabled prediction of high-temperature oxidation resistance for Ni-based alloys29Addressing the Accuracy-Cost Trade-off in Material Property Prediction Using a Teacher-Student Strategy5Comparative Study on Different CNN Architectures Developed on Microstructural Classification in Al-Si Alloys3Machine learning studies for magnetic compositionally complex alloys: A critical review33Machine-learning-assisted analysis of highly transient X-ray imaging sequences of weld pools6A Review on the Application of Superalloys Composition, Microstructure, Processing, and Performance via Machine Learning18LSTM-based framework for predicting point defect percentage in semiconductor materials using simulated XRD patterns10Influence of Al and Ti Alloying and Annealing on the Microstructure and Compressive Properties of Cr-Fe-Ni Multi-Principal Element Alloy4Data-driven inverse design of MoNbTiVWZr refractory multicomponent alloys: Microstructure and mechanical properties7Intelligent Nanomaterial Image Characterizations – A Comprehensive Review on AI Techniques that Power the Present and Drive the Future of Nanoscience17Advances in smart cities with system integration and energy digitalization technologies: A state-of-the-art review21A Multi-Fidelity Learning Framework for High-Entropy Alloy Design with Sparse DFT and Abundant CALPHAD Data0Applications of machine learning in high-entropy alloys: a review of recent advances in design, discovery, and characterization41Cluster expansion augmented transfer learning for property prediction of high-entropy alloys6Harnessing the leading edge: machine learning ventures in chemistry and materials science3Machine Learning Algorithms for Applications in Materials Science I2Toward super-clean bearing steel by a novel physical-data integrated design strategy3Enhancing material property prediction via a dual stream model fusing spatial and topological information2A catalogue of metallic glass-forming alloy systems5Machine Learning-Based Computational Design Methods for High-Entropy Alloys49Application of Machine Learning in Amorphous Alloys4Design of BCC/FCC dual-solid solution refractory high-entropy alloys through CALPHAD, machine learning and experimental methods32Metallic glass roadmap26Multi-attribute-physical-law-informed transfer learning to design high-entropy Elinvar alloys4Machine Learning Inverse Prediction of Cu-Zn-Al Alloy’s Composition and Target Properties Using a Two-Way Feedback Structure on a Small Data Set1Phase classification of high entropy alloys with composition, common physical, elemental-property descriptors and periodic table representation2Composition Design and Property Prediction for AlCoCrCuFeNi High-Entropy Alloy Based on Machine Learning4Enhancing Machine Learning Potentials through Transfer Learning across Chemical Elements10Computation- and process-based design for advanced structural high-entropy alloy development and analyses: A critical review32Probing dendrite growth under microgravity via machine learning-aided multi-scale characterisation2A deep recurrent learning framework for predicting saturation magnetic flux density in Fe-based metallic glasses1Theoretical investigations on the activation of Silanes by rare-earth complexes: Mechanisms, bonding, and catalytic implications0Towards intelligent design of metallic glasses: a data-driven pathway for closing the theory-experiment loop1A Comprehensive Review of the Computational Approaches for Structure–Property Prediction of High Entropy Materials0Integrated machine-learning modelling for mechanical property prediction – A case study on laser-welded TC4 titanium alloy4From empirical rules to data-driven design of Al-based amorphous alloys0Mechanical property prediction of superalloys with microporosity defects using a multi-source deep learning framework0A novel feature engineering method for high-performance and interpretable machine learning prediction of fatigue life in high-strength steel weld metal0Leveraging large language models to address data scarcity in machine learning for graphene synthesis1

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