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RESEARCH PAPER · InfoMat · 2023

Methods, progresses, and opportunities of materials informatics

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Methods, progresses, and opportunities of materials informaticsOriginalInference Without Ground Truth: A Conceptual Theory of Validation in Materials AI0Advances in materials informatics for tailoring thermal radiation: A perspective review2Prediction of Photochromism of Salicylideneaniline Crystals Using a Data Mining Approach9Machine learning aided design of Bi2WO6/MIL-53(Al) nanocomposites11A Conceptual Framework for Trustworthy AI Decisions Across the Materials Design Lifecycle1ConvFeatNet ensemble: Integrating microstructure and pre-defined features for enhanced prediction of porous material properties3Discovery Recommendation Systems: Reframing Materials Selection Algorithms0https://2DMat.ChemDX.org: Experimental data platform for 2D materials from synthesis to physical properties7Knowledge Graphs vs Property Predictors: Competing Infrastructures of Materials Intelligence0Degeneration of kernel regression with Matern kernels into low-order polynomial regression in high dimension20Single-actuated and fully recyclable phase change materials enabled multiple thermochromism toward information storage and encryption32Advances in materials informatics: a review42Solar‐Driven Hydrogen Evolution from Value‐Added Waste Treatment29Machine Learning Aided Design and Optimization of Thermal Metamaterials195Accelerating Dental Adhesive Innovations Through Active Learning and Bayesian Optimization1Data-driven strategy for bandgap database construction of perovskites and the potential segregation study11Construction of g-C3N4/Ti3CN MXene Schottky heterojunctions for boosting photocatalytic hydrogen production19Temporal Decoupling-Based Machine Learning Framework for Precise Efficiency Prediction in Perovskite Solar Cells2Peridynamics-fueled convolutional neural network for predicting mechanical constitutive behaviors of fiber reinforced composites46A review on recent applications of machine learning in mechanical properties of composites100Machine learning in advancing anode materials for Lithium-Ion batteries – A review17Machine-learning-assisted exploration of new non-fullerene acceptors for high-efficiency organic solar cells12A supervised machine learning tool to predict the bactericidal efficiency of nanostructured surface8Artificial Intelligence in Metamaterial Informatics for Sonic Frequency Mechanical Identification Tags2From Pairwise Comparisons of Complex Behavior to an Overall Performance Rank: A Novel Alloy Design Strategy0Advances in Palladium-Based Membrane Research: High-Throughput Techniques and Machine Learning Perspectives11Machine learning applied to the design and optimization of polymeric materials: A review51Virtual screening of n-type organic semiconductors using exhaustive band structure calculations0From Prediction to Prescription: A Conceptual Transition Model for AI-Enabled Materials Decision Systems1Integrating graph convolutional networks with large language models for structured biomedical material knowledge representation0Machine Learning-Based Methods for Materials Inverse Design: A Review34Recent advances in heterostructure-based organic field-effect transistor memory6The Problem of Unbounded Search Spaces in Conceptual Materials Discovery0In‐Depth Discussion on Electrocatalytic Barrier with Electron Structure of High‐Entropy Alloy Predicted by Transfer Learning and Neural Networks7Advancing perovskite photovoltaic technology through machine learning‐driven automation49Machine Learning-Driven Prediction of Composite Materials Properties Based on Experimental Testing Data56Machine Learning Enhanced Self‐Charging Power Sources21Unveiling the statistical behaviors of metal‐halide perovskites from films to devices through a high‐throughput experimental platform13Artificial Intelligence for Materials Discovery, Development, and Optimization171Prediction of luminescence lifetimes of Mn4+/Eu3+ doped phosphors based on interpretable machine learning3Application of CASTEP Code to the Simulation of Soft X-ray Emission Spectra of Light Element Materials2Emergent properties and the multiscale characterization challenge in condensed matter, from crystals to complex materials: a review9Atomic Structure Design for Enhancing Metal‐Support Frontier Orbital Interaction to Achieve Efficient Photocatalytic H 2 O 2 Generation12Atomic Structure Design for Enhancing Metal‐Support Frontier Orbital Interaction to Achieve Efficient Photocatalytic H 2 O 2 Generation1Past, present, prospect: AI‐driven evolution of low‐dimensional material design for sustainable environmental solutions16From Data‐Driven to Intelligence‐Driven: Innovating Research Paradigms of Perovskite Solar Cells4Smart design of thermoplastic vulcanizate products: Linking process to performance via interpretable machine learning1Accelerated Cu-Ti alloy design under data scarcity through fine-tuned transfer learning4Subsampling factorization machine annealing1Machine Learning-Driven Design and Discovery of High-Entropy Alloys: A Critical Review of Recent Advances and Future Perspectives5Applications and Advances of Machine Learning in the Development of Solid-State Electrolytes for Lithium-Ion Batteries57Chemical composition-driven performance evaluation model for sbs-modified asphalt using multivariate statistical3Extrapolative prediction of polymer properties using physics-informed hierarchical descriptors4Human Oversight as System Design: A Conceptual Reframing of Control in Semi-Autonomous Materials AI0Physics-Integrated Machine Learning for Materials Science — Conceptual Taxonomies and Open Questions0Scientific Claims Under Distribution Shift: A Conceptual Theory for Robust Materials AI Inference0Sustainable Transformation of Petrochemical Byproducts into High‐Performance Carbon Electrodes: Green Synthesis and Energy Storage Applications2The Limits of Scale in Materials AI: A Conceptual Argument Against ‘Bigger Is Always Better’0The Problem of Scientific Consensus in AI-Driven Materials Science—Conceptual Approaches: A Review Study0Predicting Materials Using Variational Autoencoders: A Systematic Literature Review8Accelerated discovery of MM ′ XT 2 MXenes for catalysis, electronics, and energy storage using supervised machine learning1Integration of Multiscale Simulations and AI Models for the Design of High-Performance Dielectric Polymers0A hybrid deep boosting framework with adaptive label stabilization for SEM-based porosity estimation in fly-ash cement mortar0Metallurgical Indices for Physics-Informed Machine Learning-Based Fatigue Strength Prediction in Steels2Representation learning of crystal materials using Graph Neural Networks: Passive symmetry challenges and advances0Motif-to-spectrum learning enables interpretable discovery and inverse design of optical absorbers0Band engineering via doping modification in Bi2O2Se for enhanced photoelectric conversion efficiency0Data-driven design of electrocatalysts: Machine learning workflows, paradigm shifts, and applications4A semantics-guided multimodal machine learning framework for predicting the flexural strength of C/C-SiC composites0Large language model-assisted design of electrospun bioplastics0From sample value to metallurgical roles: Constructing compact core sets for steel mechanical property interpretability modelling0Machine Learning–Assisted Exploration of the Structural, Dielectric, and Ferroelectric Properties of CaTiO3 Nanoceramics0

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